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Polymyxin B sulfate
Polymyxin B sulfate ID: API-43990
CAS:1405-20-5
Supplier:APIchem

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SMILES:S(=O)(=O)(O)O.O=C1NC(CCN)C(=O)NC(CCN)C(=O)NC(CCO)C(=O)NCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC=O)CCN)CCO)CCN)C(=O)NC(CCN)C(=O)NC(C(=O)NC1CC(C)C)Cc1ccccc1	ChemMol.com
FORMULA: C48H84N16O17S
MASS: 1189.3426
EXACT MASS: 1188.5921063
INTERATOMIC DISTANCES

              S   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2   12.3581     0.0000 
   O   3    8.6577     3.7226     0.0000 
   O   4    6.2498     6.8289     3.7227     0.0000 
   O   5    8.2357     8.8044     6.8289     3.7226     0.0000 
   O   6   14.9329     3.7227     6.8289     8.8044     9.3222     0.0000 
   O   7   11.1989     9.6511     8.7478     6.3985     2.9976     8.9581 
   O   8   15.5288     6.8289     8.8045     9.3222     8.2964     3.7226 
   O   9   13.9878     8.8044     9.3222     8.2963     5.8968     6.8289 
   O  10   10.6502    12.7522    11.0705     7.8367     4.2444    12.4969 
   O  11   16.4573     9.3443    10.8028    10.5125     8.5252     6.4041 
   O  12   14.7975    13.8845    13.3208    10.8543     7.1943    12.4134 
   O  13   14.2549    14.8132    13.8394    11.0090     7.2866    13.6818 
   O  14   16.3066    18.3671    17.1700    14.0727    10.4158    17.2819 
   O  15    1.0000    12.5780     8.9309     6.1631     7.7072    14.9504 
   O  16    1.0000    12.2164     8.4941     6.4912     8.8461    14.9822 
   O  17    1.0000    11.3762     7.6853     5.2663     7.4377    13.9330 
   O  18    1.0000    13.3427     9.6357     7.2378     9.0738    15.9327 
   N  19    9.9569     2.4484     1.5074     4.4188     6.8411     5.3226 
   N  20   12.7664     1.5074     4.4188     6.8411     8.1720     2.4485 
   N  21    7.5179     5.3225     2.4485     1.5075     4.4188     7.4227 
   N  22    7.8853     7.4227     5.3226     2.4484     1.5075     8.3247 
   N  23    9.4722     9.1485     7.6338     4.8550     1.2724     9.1485 
   N  24   14.4053     4.4187     6.8411     8.1719     8.1719     1.5074 
   N  25   14.2989     6.8411     8.1720     8.1720     6.8411     4.4187 
   N  26   12.4804     8.1719     8.1720     6.8411     4.4188     6.8411 
   N  27   11.2335    11.5313    10.2698     7.4182     3.6984    10.9579 
   N  28   12.5900    14.1768    12.8172     9.7380     6.0604    13.4773 
   N  29   15.0292     2.6817     6.4042     9.3444    10.8029     2.7059 
   N  30    5.5543     9.3599     6.4283     2.7059     2.6817    10.8070 
   N  31   17.0417     6.4042     9.3444    10.8029    10.5125     2.6816 
   N  32    8.9852    12.4969    10.3589     6.8589     3.6944    12.7522 
   N  33   14.8989    16.6510    15.4426    12.3810     8.7056    15.6530 
   N  34   13.2861    17.3337    15.5020    12.0542     8.7039    16.9577 
   C  35   10.9559     1.5074     2.4485     5.3226     7.4228     4.4188 
   C  36   11.1785     1.2724     2.5209     5.8968     8.2963     4.8550 
   C  37   10.5004     2.2306     1.9572     5.6189     8.4015     5.8548 
   C  38    8.1339     4.4187     1.5074     2.4485     5.3226     6.8411 
   C  39   13.4854     2.4485     5.3226     7.4227     8.3248     1.5075 
   C  40   11.9100     1.0000     3.4484     6.1361     7.8693     3.4485 
   C  41    9.6090     8.1719     6.8411     4.4187     1.5074     8.1720 
   C  42    7.3790     6.8411     4.4188     1.5074     2.4485     8.1720 
   C  43    8.9849     3.4484     1.0000     3.4485     6.1362     6.1362 
   C  44   10.6078     8.3247     7.4227     5.3226     2.4485     7.8692 
   C  45    7.5114     4.8549     1.2723     2.5210     5.8969     7.6337 
   C  46   10.8714     2.7059     2.6816     6.4042     9.3443     6.4283 
   C  47    9.5196     2.9976     0.9727     4.6826     7.6556     6.3986 
   C  48   14.2698     2.5210     5.8969     8.2964     9.3222     1.2724 
   C  49   14.5736     5.3226     7.4227     8.3248     7.8693     2.4484 
   C  50    6.4437     7.6337     4.8550     1.2723     2.5210     9.1485 
   C  51    7.2467     6.1361     3.4485     1.0000     3.4485     7.8693 
   C  52    8.6675     7.8693     6.1362     3.4485     1.0000     8.3247 
   C  53   14.0385     3.4484     6.1362     7.8693     8.3248     1.0000 
   C  54   11.5846     8.3248     7.8694     6.1362     3.4485     7.4227 
   C  55   10.3271    10.8069     9.3600     6.4283     2.7059    10.5044 
   C  56   13.8651     7.4227     8.3248     7.8693     6.1362     5.3225 
   C  57   15.5715     5.8968     8.2963     9.3222     8.8044     2.5209 
   C  58   10.3084     9.8425     8.5519     5.8548     2.2306     9.5093 
   C  59   14.5377     6.1361     7.8693     8.3248     7.4228     3.4484 
   C  60    9.5131    11.1142     9.3393     6.1369     2.5124    11.1141 
   C  61   14.1812     1.9573     5.6188     8.4014     9.8031     2.2306 
   C  62    6.5168     5.8548     2.2306     1.9572     5.6188     8.5519 
   C  63   14.7253     8.2963     9.3222     8.8044     6.8289     5.8968 
   C  64   13.2512     7.8693     8.3248     7.4227     5.3226     6.1361 
   C  65    6.3859     8.5519     5.8548     2.2306     1.9572     9.8426 
   C  66   12.3337    13.2313    11.9919     9.0434     5.3274    12.4789 
   C  67   16.0417     5.6188     8.4015     9.8031     9.5875     1.9572 
   C  68   11.3832    12.4854    11.0879     8.0669     4.3617    11.9578 
   C  69    9.6894    12.1011    10.2320     6.9069     3.4144    12.1011 
   C  70   13.0871    13.0894    12.1323     9.4046     5.6913    12.0640 
   C  71   15.5964     8.4014     9.8031     9.5875     7.7909     5.6188 
   C  72    6.1852     6.3985     2.9976     0.9727     4.6826     8.7478 
   C  73    5.9773     6.4283     2.7059     2.6816     6.4042     9.3599 
   C  74   13.9081    15.8769    14.5469    11.4272     7.7737    15.0428 
   C  75   13.5664    14.9386    13.7164    10.7021     7.0060    14.0489 
   C  76   14.0290    13.9110    13.0788    10.3997     6.6894    12.6994 
   C  77    5.2255     7.3924     3.9169     1.1924     4.6611     9.7152 
   C  78    4.9777     7.4182     3.6984     2.7689     6.3884    10.2698 
   C  79   13.3147    16.0875    14.5335    11.2658     7.7085    15.4747 
   C  80    4.5349     7.8545     4.2058     2.1868     5.5828    10.4335 
   C  81   13.7721    17.0506    15.4174    12.0815     8.5888    16.4736 
   C  82   15.3089    17.5833    16.2772    13.1276     9.4939    16.6413 
   H  83   10.4469     1.9200     1.8026     5.1217     7.6185     5.2216 
   H  84   11.7418     0.6532     3.0915     6.3200     8.5023     4.2833 
   H  85   11.5487     1.2925     2.9260     6.4369     8.9116     5.0135 
   H  86   10.3124     2.1272     1.6589     5.1693     7.8240     5.5601 
   H  87    7.2840     5.2215     1.9200     1.8027     5.1217     7.6821 
   H  88   13.5335     1.8027     5.1217     7.6185     8.8590     1.9200 
   H  89    9.9213     2.4460     1.2773     4.6688     7.3265     5.6648 
   H  90   10.1553     8.8757     7.6821     5.2215     1.9199     8.6028 
   H  91    7.1074     7.6821     5.2216     1.9200     1.8027     8.8757 
   H  92   13.1550     1.2773     4.6688     7.3265     8.7768     2.4460 
   H  93   10.3361     8.8278     7.7189     5.3386     2.1031     8.4795 
   H  94   10.5707     7.7067     6.8984     5.0339     2.6031     7.2982 
   H  95    8.0750     4.2833     0.6533     3.0915     6.3199     7.2069 
   H  96    7.3691     5.0135     1.2925     2.9260     6.4369     8.0037 
   H  97    9.4119     3.3780     1.2766     4.9543     8.1000     6.9051 
   H  98    8.9138     3.5322     0.4026     4.1173     7.2240     6.7880 
   H  99    9.6661     2.7071     1.0156     4.4808     7.2370     5.9136 
   H 100   11.4396     2.2515     3.0841     6.7821     9.5583     5.9574 
   H 101   11.1404     3.1275     3.2060     6.9190     9.9345     6.8335 
   H 102   10.3093     3.2161     2.3747     6.0663     9.1675     6.9228 
   H 103   14.5624     3.0915     6.3199     8.5023     9.2769     0.6533 
   H 104   14.8635     2.9260     6.4369     8.9115     9.9193     1.2925 
   H 105   15.1036     5.1216     7.6185     8.8590     8.6359     1.8026 
   H 106    6.9725     5.6646     2.4460     1.2774     4.6688     7.9608 
   H 107    6.3413     7.2069     4.2833     0.6532     3.0915     8.9375 
   H 108    5.8242     8.0036     5.0135     1.2925     2.9261     9.6813 
   H 109    7.4317     7.9609     5.6648     2.4460     1.2773     8.9431 
   H 110   11.4615     8.8759     8.2439     6.2523     3.2403     8.0425 
   H 111   11.3911     7.7067     7.2982     5.7523     3.4172     6.8983 
   H 112   11.0432    10.6132     9.4611     6.7830     3.1230    10.0355 
   H 113   14.6791     7.6185     8.8591     8.6358     6.9861     5.1217 
   H 114    8.9147     9.3613     7.6025     4.5896     0.8701     9.5725 
   H 115   15.0034     4.6687     7.3265     8.7767     8.7768     1.2772 
   H 116   15.5142     6.3199     8.5023     9.2769     8.5156     3.0914 
   H 117   16.1671     6.4369     8.9116     9.9194     9.2908     2.9260 
   H 118    9.2460    10.5048     8.7259     5.5693     1.9051    10.5797 
   H 119    8.9227    11.1352     9.1653     5.8270     2.3717    11.3375 
   H 120   13.9500     1.6008     5.3232     8.3102     9.9437     2.8464 
   H 121   13.5780     1.4758     5.0462     7.7815     9.2284     2.3404 
   H 122   14.8840     7.3265     8.7768     8.7768     7.3265     4.6688 
   H 123   12.8302     8.7767     8.7768     7.3265     4.6688     7.3265 
   H 124   14.3377     8.5023     9.2770     8.5156     6.3444     6.3199 
   H 125   15.1342     8.9116     9.9194     9.2908     7.1314     6.4369 
   H 126    6.6349     9.0224     6.4372     2.8463     1.6008    10.1306 
   H 127    6.9952     8.2404     5.7678     2.3403     1.4758     9.3487 
   H 128   11.7401    11.4202    10.3603     7.6764     3.9911    10.6550 
   H 129   13.1473    13.8904    12.7715     9.8772     6.1569    12.9661 
   H 130   16.1571     5.3232     8.3102     9.9437     9.9427     1.6008 
   H 131   15.4592     5.0462     7.7815     9.2284     9.1473     1.4757 
   H 132   10.0414    12.7100    10.8493     7.5023     4.0342    12.6477 
   H 133   10.2627    12.1046    10.4147     7.2088     3.5915    11.9154 
   H 134   13.4111    12.8298    12.0447     9.4685     5.7903    11.6553 
   H 135   12.6210    12.4946    11.5123     8.8043     5.0986    11.5451 
   H 136   16.0140     8.3101     9.9437     9.9427     8.3074     5.3231 
   H 137   15.2182     7.7814     9.2284     9.1473     7.5517     5.0461 
   H 138    6.6378     6.1803     3.0257     0.6981     4.2068     8.3171 
   H 139    6.3217     6.2304     2.5417     3.2564     6.9727     9.3345 
   H 140   12.1761    14.3150    12.7985     9.6084     5.9888    13.7686 
   H 141   15.0312     2.6926     6.3760     9.4884    11.1368     3.3208 
   H 142   15.5742     3.2564     6.9726     9.8167    11.1147     2.5417 
   H 143    5.6582     9.9220     7.0418     3.3208     2.6926    11.2511 
   H 144    4.9918     9.3344     6.2303     2.5416     3.2564    10.9877 
   H 145   14.4478    15.7456    14.6121    11.6304     7.9285    14.7191 
   H 146   13.7398    14.1703    13.1806    10.3682     6.6457    13.0967 
   H 147   14.5166    14.5144    13.6985    11.0007     7.2855    13.2462 
   H 148    5.1302     7.7719     4.4105     1.1215     4.1679     9.9051 
   H 149    4.7141     7.8118     4.0937     3.3727     6.9493    10.7735 
   H 150   17.3569     6.3760     9.4884    11.1368    11.0030     2.6926 
   H 151   17.3631     6.9726     9.8166    11.1146    10.6242     3.2563 
   H 152   12.8814    15.4691    13.9212    10.6738     7.0989    14.8838 
   H 153   12.8139    16.0336    14.3458    11.0003     7.5186    15.5653 
   H 154    9.1900    13.1149    10.9436     7.4092     4.3113    13.3585 
   H 155    8.3810    12.1558     9.8922     6.3379     3.3663    12.5781 
   H 156    3.9243     8.4744     4.8223     2.5887     5.7156    11.0253 
   H 157   16.9954     9.4883    11.1369    11.0031     9.1117     6.3759 
   H 158   14.2464    17.6685    16.0330    12.6842     9.2049    17.0662 
   H 159   14.2587    17.1175    15.6100    12.3462     8.7870    16.4049 
   H 160   15.2844    16.5742    15.5028    12.5372     8.8338    15.4424 
   H 161   15.3761    14.4277    13.9234    11.4742     7.8130    12.8636 
   H 162   13.6317    17.9407    16.0732    12.5990     9.2885    17.5776 
   H 163   12.6668    16.9254    15.0093    11.5259     8.2378    16.6605 
   H 164   14.9704    17.6949    16.2626    13.0318     9.4484    16.8781 
   H 165    1.4158    13.1777     9.5402     6.7055     8.0458    15.5051 
   H 166    1.4157    11.6536     7.9313     6.0963     8.6561    14.4770 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    6.7841     0.0000 
   O   9    3.4930     3.7227     0.0000 
   O  10    3.6056    10.3588     6.8588     0.0000 
   O  11    6.1900     2.6816     2.7059     9.4307     0.0000 
   O  12    4.5826     9.2705     5.6210     4.3589     7.3358     0.0000 
   O  13    5.1962    10.7368     7.0249     3.6056     8.9655     1.7321 
   O  14    8.7177    14.2586    10.5745     6.2449    12.3067     5.0000 
   O  15   10.6182    15.3044    13.5475     9.8329    16.0799    14.0430 
   O  16   11.8357    15.8133    14.4838    11.4963    16.8856    15.5796 
   O  17   10.4246    14.5641    13.1130    10.1310    15.5476    14.1792 
   O  18   12.0065    16.4977    14.8783    11.2346    17.3770    15.4558 
   N  19    8.2758     7.4228     8.3248    10.9918     9.5586    12.7675 
   N  20    8.6043     5.3226     7.4228    11.8885     7.8430    12.6632 
   N  21    6.6170     8.3247     7.8693     8.6621     9.8200    11.1911 
   N  22    3.9502     7.8693     6.1361     5.7482     8.5731     8.4279 
   N  23    1.7320     7.6337     4.8549     3.6056     7.5405     6.0000 
   N  24    7.5431     2.4485     5.3226    11.1155     5.0819    10.9071 
   N  25    5.2879     1.5074     2.4485     8.8750     2.6391     8.0695 
   N  26    2.3655     4.4187     1.5074     5.9501     4.1113     5.7443 
   N  27    1.9999     8.6585     5.1274     1.7321     7.7053     3.6056 
   N  28    4.5826    10.8870     7.1916     2.0000     9.4827     3.0000 
   N  29   11.0439     6.4283     9.3600    14.4315     9.1097    14.8497 
   N  30    5.6544    10.5044     8.5064     5.8282    11.0674     9.5439 
   N  31    9.3703     2.7059     6.4283    12.9708     4.9660    11.9566 
   N  32    4.3589    11.0704     7.8366     1.7320    10.5109     6.0827 
   N  33    7.0000    12.7367     9.0243     4.5826    10.9286     3.6056 
   N  34    8.0000    14.4848    10.7964     4.5826    13.0592     6.0828 
   C  35    8.5413     6.8411     8.1720    11.4710     9.1363    12.9279 
   C  36    9.5253     7.6337     9.1485    12.3975    10.0149    13.9260 
   C  37    9.9168     8.5520     9.8427    12.5892    10.8684    14.4026 
   C  38    7.3037     8.1720     8.1720     9.5633     9.9044    11.8853 
   C  39    8.4006     4.4188     6.8411    11.8154     7.0053    12.2459 
   C  40    8.6515     6.1362     7.8693    11.7726     8.5597    12.8927 
   C  41    2.0000     6.8411     4.4188     4.5826     7.0236     6.5575 
   C  42    4.9182     8.1720     6.8411     6.6858     9.1466     9.4221 
   C  43    7.8605     7.8694     8.3248    10.3492     9.8165    12.4164 
   C  44    1.3567     6.1361     3.4484     4.6379     6.0926     5.8987 
   C  45    8.1105     9.1485     9.1485    10.1313    10.9044    12.6893 
   C  46   10.9142     9.3599    10.8069    13.5499    11.7451    15.4025 
   C  47    9.3901     8.7478     9.6511    11.8811    10.9142    13.9329 
   C  48    9.3648     4.8550     7.6338    12.8025     7.5188    13.1184 
   C  49    6.9069     1.5075     4.4188    10.5085     4.0915    10.0329 
   C  50    5.3559     9.1485     7.6337     6.5692    10.0269     9.7078 
   C  51    5.8155     8.3248     7.4227     7.6845     9.5656    10.3587 
   C  52    2.9503     7.4227     5.3225     4.9942     7.8590     7.4421 
   C  53    8.0445     3.4485     6.1362    11.5554     6.0727    11.6541 
   C  54    1.5446     5.3226     2.4484     5.1413     5.1026     5.6013 
   C  55    1.7320     8.5064     5.1916     2.0000     7.8664     4.5826 
   C  56    4.3447     2.4484     1.5075     7.9106     2.6457     7.1076 
   C  57    7.6556     1.2724     4.8550    11.2598     3.9234    10.4576 
   C  58    0.9999     7.6082     4.4618     3.0001     7.1660     5.0000 
   C  59    6.1494     1.0000     3.4485     9.7530     3.2084     9.0694 
   C  60    2.6457     9.3392     6.1368     1.7320     8.8270     5.2915 
   C  61   10.0914     5.8548     8.5519    13.4524     8.5164    13.9779 
   C  62    8.1012     9.8426     9.5094     9.7835    11.4385    12.6394 
   C  63    4.6827     2.5209     1.2724     8.1179     1.7320     6.7502 
   C  64    3.3513     3.4485     1.0000     6.9106     3.2244     6.2880 
   C  65    4.9470     9.5094     7.6082     5.7019    10.1295     9.0894 
   C  66    3.6056     9.9023     6.2188     1.7320     8.5670     2.6458 
   C  67    8.5965     2.2306     5.8548    12.2020     4.7967    11.4567 
   C  68    3.0000     9.6147     6.0279     1.0000     8.5382     3.4642 
   C  69    3.4641    10.2319     6.9069     1.0001     9.5626     5.1962 
   C  70    3.4641     9.2840     5.5647     2.6458     7.7690     1.7320 
   C  71    5.6803     1.9572     2.2306     9.0893     1.0000     7.4677 
   C  72    7.2831     9.6511     8.9581     8.8093    11.0438    11.7784 
   C  73    9.0037    10.8070    10.5044    10.4835    12.4357    13.5097 
   C  74    6.2450    12.2724     8.5499     3.6056    10.6275     3.4641 
   C  75    5.2915    11.2756     7.5536     2.9999     9.6651     2.6458 
   C  76    4.3589     9.7368     6.0253     3.4641     7.9907     1.0001 
   C  77    7.4762    10.4558     9.4858     8.5837    11.7004    11.8519 
   C  78    9.1607    11.5313    10.9579    10.2946    13.0224    13.5738 
   C  79    6.5574    12.8636     9.1547     3.4640    11.3569     4.3590 
   C  80    8.4457    11.3683    10.4830     9.3737    12.6771    12.7760 
   C  81    7.5498    13.8545    10.1417     4.3589    12.3088     5.1962 
   C  82    7.9372    13.7367    10.0242     5.2915    11.9149     4.5826 
   H  83    8.9996     7.6821     8.8758    11.7624     9.9442    13.4621 
   H  84    9.5423     7.2069     8.9375    12.5328     9.6533    13.8678 
   H  85   10.1359     8.0036     9.6813    13.0174    10.4466    14.5211 
   H  86    9.2986     8.0726     9.2485    11.9967    10.3360    13.7826 
   H  87    7.3915     8.8757     8.6028     9.3541    10.4836    11.9627 
   H  88    9.1278     5.2215     7.6821    12.4847     7.8338    13.0546 
   H  89    8.8613     7.9609     8.9431    11.5100    10.1437    13.3678 
   H  90    1.1773     6.9089     4.0785     3.9478     6.7626     5.7093 
   H  91    4.5798     8.6028     6.9089     5.9657     9.3505     8.9590 
   H  92    9.2197     5.6647     7.9609    12.5083     8.2462    13.2512 
   H  93    1.0702     6.7320     3.8810     4.0435     6.5655     5.6385 
   H  94    1.9569     5.7522     3.4172     5.2334     5.9597     6.4439 
   H  95    8.3824     8.9375     9.1882    10.5640    10.8129    12.9646 
   H  96    8.7132     9.6813     9.7625    10.6565    11.4886    13.2888 
   H  97    9.9357     9.3492    10.2652    12.3389    11.5316    14.4917 
   H  98    9.1034     8.9235     9.5830    11.4639    10.9882    13.6704 
   H  99    8.8542     8.1491     9.0378    11.4386    10.2969    13.3795 
   H 100   10.9736     9.0255    10.6674    13.7286    11.4715    15.4128 
   H 101   11.5328     9.8786    11.4080    14.1484    12.2981    16.0225 
   H 102   10.8898     9.7224    10.9798    13.3977    12.0444    15.4172 
   H 103    9.1247     4.2834     7.2070    12.6158     6.9581    12.7447 
   H 104    9.8817     5.0135     8.0036    13.3489     7.6946    13.5398 
   H 105    7.7544     1.9200     5.2216    11.3544     4.6015    10.8422 
   H 106    7.0460     8.9431     8.4473     8.8859    10.4316    11.5996 
   H 107    5.8388     9.1883     7.9178     7.1842    10.2248    10.2522 
   H 108    5.8501     9.7625     8.2336     6.7827    10.6426    10.1131 
   H 109    4.0875     8.4474     6.5563     5.4662     9.0560     8.4372 
   H 110    0.9289     5.8833     2.7689     4.5328     5.4705     5.1216 
   H 111    2.0695     5.0338     2.6030     5.6107     5.1290     6.2195 
   H 112    1.0828     7.8294     4.4073     2.5343     7.0585     4.0770 
   H 113    5.1141     1.8027     1.9200     8.6385     1.9544     7.4956 
   H 114    2.2901     8.2008     5.4748     3.4849     8.1588     6.3328 
   H 115    8.0607     2.4461     5.6648    11.6480     5.1273    11.2790 
   H 116    7.1993     0.6533     4.2833    10.7952     3.3209     9.8685 
   H 117    7.9928     1.2925     5.0136    11.5860     3.7300    10.5578 
   H 118    2.4059     8.9372     5.8766     2.3451     8.5813     5.6350 
   H 119    3.1511     9.7341     6.6395     2.0295     9.3404     5.8749 
   H 120   10.4025     6.4372     9.0225    13.6985     9.0874    14.3871 
   H 121    9.6147     5.7678     8.2405    12.9319     8.3909    13.5906 
   H 122    5.5814     1.2773     2.4460     9.1281     2.0599     8.0171 
   H 123    2.2382     4.6688     1.2773     5.7132     3.9824     5.1704 
   H 124    4.0890     3.0915     0.6532     7.5009     2.1828     6.2042 
   H 125    4.7834     2.9260     1.2925     8.0922     1.4156     6.3959 
   H 126    4.5828     9.5726     7.4432     5.0979    10.0267     8.5841 
   H 127    4.4148     8.9091     6.9943     5.4970     9.5098     8.6683 
   H 128    1.7733     8.2085     4.6127     2.2901     7.1453     3.2069 
   H 129    4.2394    10.2175     6.4987     2.5045     8.6825     2.0791 
   H 130    9.0891     2.8463     6.4371    12.6913     5.4135    12.0484 
   H 131    8.3173     2.3404     5.7678    11.9159     5.0042    11.3887 
   H 132    3.8917    10.6758     7.2640     0.6592     9.8821     5.0180 
   H 133    3.1022     9.8850     6.4681     0.6592     9.0924     4.5869 
   H 134    3.3038     8.7781     5.0556     3.1512     7.1865     1.4156 
   H 135    2.8555     8.8629     5.1623     2.4059     7.4858     2.1829 
   H 136    6.2774     1.6008     2.8463     9.7049     1.0812     8.0481 
   H 137    5.6449     1.4757     2.3404     9.1424     1.5967     7.8087 
   H 138    6.7154     9.0786     8.3382     8.3925    10.4321    11.2359 
   H 139    9.5130    10.9878    10.8757    11.0797    12.7191    14.0418 
   H 140    4.8212    11.2918     7.6237     1.7732     9.9814     3.6200 
   H 141   11.5047     7.0418     9.9221    14.8483     9.7227    15.3811 
   H 142   11.2003     6.2304     9.3345    14.6417     8.9061    14.8802 
   H 143    5.5663    10.7769     8.5872     5.3845    11.1979     9.2468 
   H 144    6.2447    10.8756     9.0187     6.4211    11.5451    10.1639 
   H 145    6.0969    11.8132     8.0976     3.9271    10.0441     2.7609 
   H 146    4.5429    10.2223     6.5011     3.1021     8.5508     1.5968 
   H 147    4.9779    10.2167     6.5234     3.8917     8.3729     1.0813 
   H 148    7.0509    10.4228     9.2354     8.0047    11.5336    11.3604 
   H 149    9.7527    12.1221    11.5779    10.7889    13.6371    14.1416 
   H 150    9.9452     3.3207     7.0418    13.5489     5.5684    12.5762 
   H 151    9.3115     2.5416     6.2303    12.8957     4.5528    11.6791 
   H 152    5.9534    12.3200     8.6219     2.8556    10.8792     4.0507 
   H 153    6.6126    13.0692     9.3824     3.3038    11.6663     4.8282 
   H 154    4.8708    11.6195     8.3226     1.8397    10.9769     6.1648 
   H 155    4.4726    11.0707     7.9654     2.2901    10.6611     6.6019 
   H 156    8.6442    11.8699    10.8422     9.3305    13.0993    12.8813 
   H 157    6.8082     2.6926     3.3208    10.0462     0.6201     7.8591 
   H 158    8.1542    14.4074    10.6892     4.9779    12.8087     5.6148 
   H 159    7.5383    13.6810     9.9592     4.5429    12.0389     4.8211 
   H 160    6.9385    12.4351     8.7421     4.8212    10.5412     3.2069 
   H 161    5.1927     9.6388     6.0440     4.8707     7.5898     0.6200 
   H 162    8.6200    15.0946    11.4015     5.1927    13.6431     6.6019 
   H 163    7.7087    14.2910    10.6309     4.2029    12.9670     6.1648 
   H 164    8.0774    14.0597    10.3386     5.2100    12.3155     5.0105 
   H 165   10.9105    15.7766    13.9190     9.9258    16.4809    14.1885 
   H 166   11.6533    15.4077    14.1981    11.5038    16.5552    15.5121 

              O  13      O  14      O  15      O  16      O  17      O  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    3.6055     0.0000 
   O  15   13.4297    15.3845     0.0000 
   O  16   15.1012    17.2373     2.0000     0.0000 
   O  17   13.7322    15.9576     1.4142     1.4142     0.0000 
   O  18   14.8266    16.7082     1.4142     1.4142     2.0000     0.0000 
   N  19   13.4605    16.9087    10.1441     9.8679     8.9676    10.9481 
   N  20   13.6902    17.2758    12.8719    12.7389    11.7689    13.7643 
   N  21   11.5668    14.8152     7.5365     7.6314     6.5192     8.5169 
   N  22    8.6793    11.8901     7.5263     8.3493     6.9874     8.8052 
   N  23    6.2450     9.5393     8.9083    10.1037     8.6928    10.2898 
   N  24   12.1878    15.7850    14.3278    14.5512    13.4120    15.3994 
   N  25    9.4462    13.0131    14.0201    14.6408    13.3522    15.2525 
   N  26    6.8661    10.4715    12.0439    12.9794    11.6066    13.3718 
   N  27    3.6056     6.9282    10.5136    11.9935    10.5883    11.9277 
   N  28    1.7320     4.3588    11.7461    13.4554    12.1023    13.1359 
   N  29   16.0062    19.6101    15.2253    14.8978    14.0437    16.0164 
   N  30    9.3154    12.0145     5.0444     6.1849     4.7721     6.3974 
   N  31   13.4405    16.9513    16.9513    17.1899    16.0494    18.0349 
   N  32    5.2915     7.5498     8.1425     9.8573     8.5163     9.5361 
   N  33    1.9999     1.7320    14.0053    15.8052    14.4918    15.3604 
   N  34    4.3589     3.4640    12.3252    14.2523    13.0549    13.5871 
   C  35   13.7361    17.2434    11.1344    10.8667     9.9659    11.9475 
   C  36   14.7213    18.2179    11.4413    11.0008    10.2057    12.1558 
   C  37   15.1007    18.5420    10.8295    10.2585     9.5467    11.4619 
   C  38   12.3565    15.6679     8.2475     8.1425     7.1355     9.1326 
   C  39   13.3701    16.9723    13.5362    13.5087    12.4856    14.4853 
   C  40   13.8134    17.3672    12.0595    11.8434    10.9165    12.9046 
   C  41    7.0001    10.3923     9.1358    10.1589     8.7661    10.4796 
   C  42    9.6760    12.8620     7.1338     7.7465     6.4353     8.3358 
   C  43   12.9955    16.3763     9.1531     8.9262     7.9922     9.9790 
   C  44    6.5513    10.0576    10.1261    11.1585     9.7661    11.4749 
   C  45   13.0736    16.3072     7.7273     7.4250     6.5249     8.5010 
   C  46   16.0956    19.5286    11.2786    10.5437     9.9488    11.8067 
   C  47   14.5363    17.9208     9.8348     9.3018     8.5604    10.4865 
   C  48   14.2863    17.8913    14.3630    14.2463    13.2716    15.2681 
   C  49   11.3677    14.9517    14.4279    14.7856    13.5910    15.5584 
   C  50    9.7866    12.8090     6.1577     6.8647     5.5212     7.3863 
   C  51   10.6586    13.8611     7.1375     7.4891     6.2651     8.2328 
   C  52    7.7510    11.0338     8.2327     9.1910     7.8060     9.5560 
   C  53   12.8636    16.4687    14.0273    14.1206    13.0396    15.0374 
   C  54    6.5026    10.0856    11.1171    12.1168    10.7310    12.4600 
   C  55    4.5826     7.8102     9.6382    11.0637     9.6539    11.0500 
   C  56    8.4570    12.0319    13.5258    14.2665    12.9418    14.7983 
   C  57   11.8774    15.4280    15.4279    15.7773    14.5880    16.5569 
   C  58    5.2916     8.6602     9.6954    10.9784     9.5644    11.0927 
   C  59   10.4381    14.0096    14.3242    14.8158    13.5708    15.5088 
   C  60    5.0000     7.9372     8.7835    10.2882     8.8884    10.1977 
   C  61   15.0950    18.6954    14.3437    14.0880    13.1901    15.1735 
   C  62   12.8918    16.0113     6.7278     6.4555     5.5281     7.5085 
   C  63    8.2251    11.7379    14.3504    15.1570    13.8165    15.6453 
   C  64    7.5587    11.1519    12.8585    13.7058    12.3532    14.1629 
   C  65    9.0345    11.9460     5.9516     6.9382     5.5411     7.2702 
   C  66    2.0000     5.1961    11.5357    13.1592    11.7790    12.9419 
   C  67   12.8763    16.4279    15.9528    16.1921    15.0495    17.0349 
   C  68    3.0001     6.0828    10.6034    12.1952    10.8088    12.0135 
   C  69    4.5826     7.2111     8.8907    10.5226     9.1500    10.2979 
   C  70    1.7321     5.2915    12.3215    13.8826    12.4876    13.7334 
   C  71    9.0137    12.4677    15.2504    15.9975    14.6739    16.5280 
   C  72   11.9684    15.0452     6.2551     6.2760     5.1853     7.1851 
   C  73   13.6906    16.7273     6.3209     5.7882     5.0217     6.9455 
   C  74    1.7320     2.6457    13.0195    14.8110    13.4944    14.3797 
   C  75    1.0000     3.4641    12.7126    14.4390    13.0911    14.0967 
   C  76    1.0000     4.5825    13.2461    14.8379    13.4482    14.6551 
   C  77   11.8963    14.8255     5.2611     5.3788     4.2277     6.2239 
   C  78   13.6277    16.5300     5.3392     4.8008     4.0254     5.9457 
   C  79    2.6458     3.0000    12.4000    14.2409    12.9577    13.7354 
   C  80   12.7577    15.5960     4.7296     4.5565     3.5400     5.5317 
   C  81    3.4641     2.6457    12.8318    14.7202    13.4767    14.1322 
   C  82    3.0000     1.0000    14.3890    16.2384    14.9576    15.7161 
   H  83   14.1913    17.6556    10.6891    10.2965     9.4686    11.4289 
   H  84   14.7290    18.2564    11.9809    11.5843    10.7636    12.7233 
   H  85   15.3314    18.8329    11.8516    11.3263    10.5873    12.5161 
   H  86   14.4842    17.9310    10.5890    10.1274     9.3425    11.2875 
   H  87   12.3161    15.5345     7.4040     7.3001     6.2856     8.2827 
   H  88   14.1483    17.7461    13.6465    13.4939    12.5367    14.5308 
   H  89   14.0381    17.4690    10.1688     9.7705     8.9438    10.9029 
   H  90    6.1668     9.5921     9.6215    10.7558     9.3504    10.9923 
   H  91    9.0892    12.1829     6.7565     7.5750     6.2102     8.0289 
   H  92   14.2953    17.8839    13.2961    13.0890    12.1609    14.1500 
   H  93    6.1503     9.6033     9.8083    10.9300     9.5260    11.1769 
   H  94    7.1519    10.6703    10.1423    11.0731     9.6977    11.4645 
   H  95   13.4181    16.7034     8.3184     7.9508     7.0947     9.0596 
   H  96   13.6479    16.8526     7.6631     7.2030     6.4006     8.3450 
   H  97   15.0614    18.4187     9.7870     9.1314     8.4742    10.3613 
   H  98   14.2104    17.5532     9.2187     8.7135     7.9507     9.8842 
   H  99   14.0189    17.4307     9.9213     9.5096     8.6902    10.6464 
   H 100   16.1676    19.6366    11.8248    11.1311    10.5079    12.3819 
   H 101   16.7128    20.1410    11.5916    10.7634    10.2392    12.0571 
   H 102   16.0473    19.4398    10.7404     9.9602     9.3974    11.2362 
   H 103   13.9601    17.5651    14.6173    14.5762    13.5627    15.5622 
   H 104   14.7471    18.3524    14.9675    14.8264    13.8662    15.8611 
   H 105   12.1987    15.7767    15.0013    15.2708    14.1134    16.0949 
   H 106   11.9026    15.0844     7.0368     7.0509     5.9726     7.9725 
   H 107   10.3739    13.4214     6.1509     6.6775     5.3840     7.3100 
   H 108   10.1042    13.0261     5.5421     6.2552     4.9050     6.7663 
   H 109    8.5638    11.6719     7.0240     7.9451     6.5623     8.3305 
   H 110    5.9376     9.5067    10.9474    12.0369    10.6379    12.3113 
   H 111    7.1149    10.6922    10.9711    11.8808    10.5112    12.2895 
   H 112    4.3787     7.8020    10.3852    11.7496    10.3361    11.7928 
   H 113    8.9387    12.4727    14.3543    15.0633    13.7489    15.6179 
   H 114    6.4222     9.5918     8.3283     9.5699     8.1565     9.7167 
   H 115   12.6061    16.1935    14.9357    15.1371    14.0089    15.9986 
   H 116   11.3081    14.8472    15.3313    15.7585    14.5390    16.4924 
   H 117   12.0293    15.5485    16.0116    16.3824    15.1857    17.1507 
   H 118    5.4895     8.5193     8.5611     9.9842     8.5752     9.9721 
   H 119    5.4895     8.2727     8.1804     9.7113     8.3171     9.5945 
   H 120   15.4600    19.0531    14.1530    13.8165    12.9654    14.9366 
   H 121   14.6641    18.2581    13.7319    13.4967    12.5856    14.5715 
   H 122    9.4650    12.9970    14.5904    15.2378    13.9419    15.8333 
   H 123    6.3556     9.9578    12.3561    13.3623    11.9772    13.7030 
   H 124    7.6456    11.1780    13.9325    14.7994    13.4440    15.2446 
   H 125    7.9329    11.3956    14.7294    15.5927    14.2391    16.0416 
   H 126    8.4686    11.3392     6.1187     7.2530     5.8424     7.4774 
   H 127    8.7098    11.7326     6.5709     7.5291     6.1385     7.8856 
   H 128    3.4849     6.9558    11.0419    12.4795    11.0697    12.4549 
   H 129    1.1500     4.4801    12.3366    13.9826    12.6074    13.7390 
   H 130   13.4510    17.0115    16.1058    16.2699    15.1608    17.1539 
   H 131   12.7562    16.3308    15.3849    15.5974    14.4653    16.4538 
   H 132    4.2190     6.6599     9.2107    10.9005     9.5459    10.6081 
   H 133    4.0521     6.8640     9.4778    11.0822     9.7008    10.8876 
   H 134    2.0296     5.6350    12.6721    14.1821    12.7788    14.0860 
   H 135    2.3452     5.8749    11.8775    13.3978    11.9966    13.2913 
   H 136    9.6113    13.0463    15.6948    16.3880    15.0802    16.9553 
   H 137    9.3017    12.8029    14.9033    15.5909    14.2836    16.1606 
   H 138   11.4762    14.6099     6.6365     6.7881     5.6413     7.6352 
   H 139   14.2580    17.3214     6.7367     6.0452     5.3962     7.2670 
   H 140    2.2901     4.4726    11.3124    13.0592    11.7230    12.6920 
   H 141   16.5093    20.1103    15.2673    14.8588    14.0539    16.0113 
   H 142   16.0873    19.6927    15.7504    15.4609    14.5856    16.5643 
   H 143    8.9232    11.5207     5.0522     6.3645     4.9532     6.4418 
   H 144    9.9252    12.5847     4.5359     5.5913     4.1816     5.8610 
   H 145    1.0827     2.6215    13.5817    15.3301    13.9905    14.9580 
   H 146    0.6592     4.2190    12.9326    14.5709    13.1928    14.3358 
   H 147    0.6592     4.0520    13.7164    15.3402    13.9574    15.1212 
   H 148   11.3542    14.2415     5.0496     5.3980     4.1498     6.1168 
   H 149   14.1600    17.0118     5.1806     4.4279     3.8100     5.6506 
   H 150   14.0571    17.5705    17.2970    17.4739    16.3611    18.3531 
   H 151   13.2017    16.6790    17.2414    17.5410    16.3751    18.3524 
   H 152    2.4059     3.4976    11.9816    13.7949    12.4936    13.3330 
   H 153    3.1512     3.4977    11.8880    13.7501    12.4848    13.2106 
   H 154    5.2101     7.1975     8.3125    10.0903     8.7794     9.6869 
   H 155    5.8809     8.1661     7.5489     9.2464     7.9009     8.9475 
   H 156   12.7796    15.5175     4.1105     3.9879     2.9270     4.9226 
   H 157    9.5096    12.8075    16.6345    17.4065    16.0779    17.9219 
   H 158    3.8917     2.3874    13.2964    15.2029    13.9775    14.5791 
   H 159    3.1021     2.0783    13.3283    15.1980    13.9358    14.6429 
   H 160    1.7731     1.8397    14.4060    16.1770    14.8470    15.7731 
   H 161    1.8397     4.7206    14.6112    16.1667    14.7689    16.0228 
   H 162    4.8708     3.5192    12.6606    14.6067    13.4372    13.8956 
   H 163    4.4726     4.0130    11.7054    13.6337    12.4397    12.9672 
   H 164    3.3533     1.4158    14.0373    15.9117    14.6524    15.3471 
   H 165   13.5041    15.3265     0.6201     2.3716     2.0195     1.3894 
   H 166   15.1013    17.3468     2.3715     0.6200     1.3894     2.0194 

              N  19      N  20      N  21      N  22      N  23      N  24
              ------------------------------------------------------------------
   N  19    0.0000 
   N  20    2.9258     0.0000 
   N  21    2.9258     5.3672     0.0000 
   N  22    5.3672     6.9199     2.9258     0.0000 
   N  23    7.4228     8.3248     5.3226     2.4485     0.0000 
   N  24    5.3672     2.9258     6.9198     7.3268     7.8693     0.0000 
   N  25    6.9199     5.3672     7.3268     6.5206     6.1362     2.9258 
   N  26    7.3268     6.9199     6.5206     4.6347     3.4485     5.3672 
   N  27    9.9823    10.5486     7.9676     5.0737     2.6457     9.5383 
   N  28   12.6013    13.1791    10.4564     7.5313     5.1962    12.0237 
   N  29    5.0820     2.6391     7.8430     9.5586    10.9044     4.1114 
   N  30    7.0236     9.1467     4.1114     2.6391     3.9235     9.9044 
   N  31    7.8430     5.0820     9.5585     9.8201    10.0269     2.6391 
   N  32   10.5085    11.8154     7.9106     5.1413     3.6056    11.4709 
   N  33   15.1770    15.5775    13.0954    10.1719     7.8102    14.1641 
   N  34   15.5282    16.4618    13.0608    10.2058     8.1854    15.5314 
   C  35    1.0000     1.9813     3.8158     5.9998     7.8694     4.6346 
   C  36    1.5074     2.4485     4.4187     6.8410     8.8044     5.3226 
   C  37    1.6409     3.4401     4.2262     6.9072     9.0393     6.2835 
   C  38    1.9814     4.6347     1.0000     3.8158     6.1362     6.5206 
   C  39    3.8158     1.0000     5.9997     7.1903     8.3248     1.9813 
   C  40    1.9813     1.0000     4.6346     6.5205     8.1719     3.8158 
   C  41    6.5206     7.3268     4.6346     1.9814     1.0000     6.9199 
   C  42    4.6347     6.5206     1.9814     1.0000     3.4485     7.3268 
   C  43    1.0000     3.8158     1.9814     4.6347     6.8412     5.9998 
   C  44    6.9199     7.3268     5.3672     2.9258     1.5074     6.5205 
   C  45    2.4484     5.3226     1.5075     4.4188     6.8290     7.4227 
   C  46    2.6390     4.1113     5.0819     7.8429    10.0149     7.0236 
   C  47    1.3567     3.9502     3.3513     6.1494     8.3848     6.6170 
   C  48    4.4188     1.5075     6.8411     8.1720     9.3222     2.4485 
   C  49    5.9998     3.8158     7.1903     7.1903     7.4228     1.0000 
   C  50    5.3226     7.4227     2.4485     1.5074     3.7227     8.3248 
   C  51    3.8158     5.9998     1.0000     1.9814     4.4188     7.1903 
   C  52    5.9998     7.1903     3.8158     1.0000     1.5075     7.1903 
   C  53    4.6347     1.9814     6.5206     7.3268     8.1720     1.0000 
   C  54    7.1904     7.1904     5.9998     3.8158     2.4485     5.9998 
   C  55    9.1467     9.9044     7.0236     4.1114     1.7320     9.1364 
   C  56    7.1903     5.9998     7.1903     5.9998     5.3226     3.8157 
   C  57    6.8411     4.4188     8.1719     8.1719     8.2964     1.5074 
   C  58    8.2512     8.9150     6.2835     3.4401     1.0000     8.1506 
   C  59    6.5206     4.6347     7.3268     6.9199     6.8411     1.9813 
   C  60    9.2874    10.3219     6.9304     4.0167     2.0000     9.7984 
   C  61    4.2262     1.6409     6.9071     8.5607     9.9149     3.4400 
   C  62    3.4401     6.2835     1.6409     4.2262     6.6747     8.2512 
   C  63    8.1719     6.8411     8.1719     6.8411     5.8969     4.4187 
   C  64    7.3269     6.5206     6.9199     5.3672     4.4187     4.6347 
   C  65    6.2835     8.2512     3.4402     1.6409     3.2291     8.9150 
   C  66   11.7138    12.2094     9.6688     6.7566     4.3589    11.0240 
   C  67    6.9072     4.2263     8.5607     8.8518     9.1546     1.6409 
   C  68   10.8732    11.5279     8.7369     5.8148     3.4640    10.5366 
   C  69   10.2388    11.3208     7.8025     4.9196     3.0000    10.7725 
   C  70   11.7311    11.9843     9.8887     7.0300     4.5826    10.5826 
   C  71    8.5608     6.9072     8.8517     7.7262     6.8860     4.2262 
   C  72    3.9502     6.6170     1.3567     3.3513     5.7868     8.2758 
   C  73    4.1114     7.0236     2.6391     5.0819     7.5188     9.1466 
   C  74   14.3303    14.8487    12.1794     9.2536     6.9282    13.5689 
   C  75   13.4453    13.8875    11.3792     8.4593     6.0827    12.5728 
   C  76   12.6335    12.7594    10.8600     8.0163     5.5677    11.2027 
   C  77    4.9440     7.6116     2.2937     3.5450     5.8656     9.1910 
   C  78    5.0737     7.9676     3.2226     5.2117     7.5796     9.9823 
   C  79   14.4204    15.1303    12.1258     9.2118     6.9999    14.0231 
   C  80    5.4325     8.2332     3.0876     4.5312     6.8108    10.0026 
   C  81   15.3469    16.1104    12.9956    10.0959     7.9372    15.0230 
   C  82   16.0599    16.5311    13.9046    10.9789     8.6602    15.1546 
   H  83    0.7780     2.7732     3.6496     6.1451     8.1867     5.4843 
   H  84    1.9032     1.9285     4.8217     7.0809     8.9285     4.8455 
   H  85    2.0978     2.7126     4.9767     7.4518     9.4244     5.6358 
   H  86    1.0238     3.1138     3.7319     6.3369     8.4371     5.8634 
   H  87    2.7731     5.4842     0.7780     3.6497     6.0714     7.3179 
   H  88    3.6497     0.7779     6.1451     7.6429     8.9506     2.7731 
   H  89    0.6200     3.2234     3.2234     5.8357     7.9609     5.8357 
   H  90    7.3180     7.9507     5.4842     2.7731     0.7779     7.2749 
   H  91    5.4843     7.3180     2.7732     0.7780     2.9630     7.9506 
   H  92    3.2234     0.6199     5.8356     7.5069     8.9431     3.2234 
   H  93    7.3166     7.8763     5.5534     2.8930     0.9751     7.1382 
   H  94    6.3391     6.7084     4.9323     2.7385     1.9188     5.9769 
   H  95    1.9285     4.8455     1.9031     4.8216     7.1858     7.0962 
   H  96    2.7126     5.6359     2.0978     4.9767     7.4034     7.8816 
   H  97    1.9760     4.4602     3.7244     6.5928     8.8794     7.1893 
   H  98    1.5221     4.3527     2.8505     5.7170     8.0149     6.8888 
   H  99    0.7384     3.4762     3.0595     5.7387     7.9079     6.0540 
   H 100    2.7393     3.7213     5.4018     8.0693    10.1620     6.6471 
   H 101    3.2585     4.5881     5.6364     8.4305    10.6222     7.5129 
   H 102    2.6823     4.5527     4.8210     7.6603     9.9046     7.4329 
   H 103    4.8217     1.9031     7.0808     8.1988     9.1928     1.9285 
   H 104    4.9767     2.0978     7.4517     8.7837     9.8921     2.7126 
   H 105    6.1451     3.6497     7.6429     7.8843     8.2355     0.7780 
   H 106    3.2234     5.8356     0.6200     3.2234     5.6647     7.5069 
   H 107    4.8456     7.0963     1.9286     1.9031     4.2536     8.2029 
   H 108    5.6359     7.8816     2.7126     2.0978     4.1736     8.8970 
   H 109    5.8358     7.5070     3.2235     0.6201     2.4460     7.9455 
   H 110    7.6460     7.7728     6.2602     3.8519     2.1031     6.6192 
   H 111    6.5846     6.5846     5.5049     3.5336     2.6031     5.5049 
   H 112    9.1121     9.6174     7.2119     4.3739     1.9294     8.6251 
   H 113    7.6429     6.1452     7.8843     6.8286     6.1607     3.6497 
   H 114    7.5147     8.6199     5.2237     2.2983     0.6200     8.3344 
   H 115    5.8357     3.2234     7.5069     7.9454     8.4473     0.6200 
   H 116    7.0809     4.8217     8.1987     7.9779     7.9352     1.9031 
   H 117    7.4518     4.9768     8.7837     8.7128     8.7280     2.0978 
   H 118    8.6675     9.7314     6.3234     3.4045     1.4332     9.2888 
   H 119    9.2124    10.4180     6.7305     3.8664     2.1943    10.0633 
   H 120    4.0090     1.8103     6.8047     8.6476    10.1309     4.0055 
   H 121    3.6294     1.0572     6.2876     7.9666     9.3759     3.3203 
   H 122    7.5070     5.8357     7.9454     7.0768     6.5563     3.2234 
   H 123    7.9455     7.5070     7.0768     5.0489     3.5882     5.8357 
   H 124    8.1988     7.0809     7.9779     6.4567     5.3638     4.8217 
   H 125    8.7838     7.4518     8.7128     7.2522     6.1281     4.9768 
   H 126    6.8020     8.6463     4.0055     1.8103     2.8507     9.1339 
   H 127    6.0500     7.8494     3.3203     1.0572     2.7240     8.3771 
   H 128    9.9832    10.3761     8.1189     5.2768     2.8292     9.2105 
   H 129   12.4468    12.8215    10.4708     7.5689     5.1500    11.4905 
   H 130    6.8048     4.0090     8.6476     9.1335     9.5709     1.8103 
   H 131    6.2876     3.6293     7.9666     8.3531     8.7756     1.0572 
   H 132   10.8581    11.9137     8.4177     5.5390     3.5889    11.3008 
   H 133   10.3332    11.2571     8.0102     5.0932     2.9561    10.5517 
   H 134   11.5696    11.6802     9.8601     7.0555     4.6147    10.1636 
   H 135   11.1154    11.4064     9.2718     6.4200     3.9716    10.0732 
   H 136    8.6476     6.8048     9.1335     8.1694     7.4400     4.0089 
   H 137    7.9666     6.2876     8.3531     7.3793     6.7223     3.6293 
   H 138    3.7531     6.2691     0.9034     2.8138     5.2615     7.7752 
   H 139    4.0237     6.9490     3.0196     5.6179     8.0634     9.2214 
   H 140   12.6555    13.3674    10.4063     7.4838     5.2330    12.3330 
   H 141    5.1399     2.9748     7.9812     9.8501    11.2960     4.7062 
   H 142    5.6179     3.0195     8.3229     9.9150    11.1523     4.0237 
   H 143    7.6073     9.6611     4.7062     2.9749     3.8588    10.2971 
   H 144    6.9490     9.2214     4.0237     3.0195     4.5127    10.1536 
   H 145   14.3081    14.6587    12.2888     9.3731     6.9801    13.2300 
   H 146   12.8031    13.0596    10.9114     8.0284     5.5908    11.6081 
   H 147   13.2516    13.3512    11.4758     8.6255     6.1774    11.7455 
   H 148    5.3296     7.8884     2.5213     3.1751     5.4010     9.2925 
   H 149    5.5236     8.4389     3.8287     5.8073     8.1550    10.5324 
   H 150    7.9813     5.1399     9.8501    10.2584    10.5569     2.9749 
   H 151    8.3229     5.6179     9.9149    10.0115    10.0693     3.0195 
   H 152   13.8013    14.5170    11.5172     8.6006     6.3804    13.4380 
   H 153   14.2954    15.1234    11.9206     9.0261     6.9001    14.1319 
   H 154   11.1163    12.4351     8.4952     5.7498     4.2100    12.0678 
   H 155   10.1065    11.5351     7.4450     4.7515     3.4849    11.3381 
   H 156    6.0512     8.8422     3.6440     4.7942     6.9699    10.5636 
   H 157    9.8501     7.9813    10.2583     9.1169     8.1439     5.1399 
   H 158   15.9668    16.7233    13.6092    10.7122     8.5572    15.6108 
   H 159   15.4813    16.1341    13.2050    10.2893     8.0586    14.9393 
   H 160   15.1775    15.4611    13.1878    10.2746     7.8742    13.9454 
   H 161   13.3516    13.1860    11.8051     9.0474     6.6200    11.3562 
   H 162   16.1197    17.0763    13.6292    10.7873     8.7923    16.1510 
   H 163   15.0750    16.0893    12.5640     9.7325     7.7823    15.2517 
   H 164   16.1026    16.6817    13.8671    10.9464     8.6824    15.4013 
   H 165   10.7403    13.4498     8.1022     7.9581     9.2184    14.8547 
   H 166    9.3239    12.2097     7.1695     8.0643     9.9234    14.0844 

              N  25      N  26      N  27      N  28      N  29      N  30
              ------------------------------------------------------------------
   N  25    0.0000 
   N  26    2.9258     0.0000 
   N  27    7.1869     4.2729     0.0000 
   N  28    9.4827     6.6663     2.6458     0.0000 
   N  29    7.0236     9.1467    13.0224    15.6249     0.0000 
   N  30    9.1364     7.0054     5.9394     7.8230    11.7452     0.0000 
   N  31    4.1113     7.0236    11.2940    13.5788     4.9660    12.4358 
   N  32    9.5633     6.6858     3.0000     3.6056    14.4294     4.5155 
   N  33   11.4420     8.8207     5.1962     2.6457    17.9392    10.3962 
   N  34   13.0661    10.2102     6.0001     3.6056    18.9852     9.6538 
   C  35    6.5206     7.3268    10.3458    12.9866     4.0915     7.8591 
   C  36    7.4227     8.3247    11.3099    13.9464     3.9235     8.5252 
   C  37    8.2513     8.9151    11.6143    14.2266     4.7968     8.3111 
   C  38    7.3268     6.9200     8.7768    11.3134     7.0053     5.1027 
   C  39    4.6346     6.5205    10.3830    12.9804     2.6458     9.5656 
   C  40    5.9998     7.1903    10.5360    13.1811     3.2085     8.5731 
   C  41    5.3673     2.9259     3.4641     6.0828     9.9044     4.0915 
   C  42    6.9199     5.3673     6.0705     8.5046     9.1364     2.6458 
   C  43    7.1904     7.1904     9.4548    12.0373     6.0727     6.0927 
   C  44    4.6347     1.9814     3.2226     5.8610     9.8201     5.0820 
   C  45    8.3248     7.8693     9.4733    11.9488     7.5188     5.2174 
   C  46    9.1466     9.9043    12.6004    15.2068     4.9660     9.1097 
   C  47    8.2758     8.6043    10.9993    13.5807     5.6544     7.3860 
   C  48    5.3226     7.4227    11.3534    13.9392     1.7320    10.5125 
   C  49    1.9814     4.6347     8.8805    11.2967     5.1026     9.8166 
   C  50    7.8693     6.1362     6.2144     8.4823    10.0150     1.7321 
   C  51    7.1904     5.9998     7.0534     9.5032     8.5598     3.2244 
   C  52    5.9998     3.8158     4.1531     6.6818     9.8166     3.2085 
   C  53    3.8158     5.9998    10.0435    12.5913     3.2244     9.8202 
   C  54    3.8158     1.0000     3.5389     6.0739     9.5656     6.0727 
   C  55    7.0054     4.0916     1.0000     3.4642    12.4358     4.9661 
   C  56    1.0000     1.9814     6.2109     8.4838     7.8590     8.5598 
   C  57    2.4484     5.3226     9.5954    11.9287     5.2174    10.8029 
   C  58    6.1016     3.2263     1.7320     4.3590    11.4385     4.7968 
   C  59    1.0000     3.8158     8.0883    10.4373     6.0926     9.5586 
   C  60    7.8322     4.9553     1.7320     3.6056    12.9044     4.3243 
   C  61    6.2834     8.2512    12.0619    14.6740     1.0000    10.7673 
   C  62    8.9150     8.1506     9.2883    11.6670     8.5165     4.5251 
   C  63    1.5074     2.4484     6.3885     8.4557     8.5252     9.3444 
   C  64    1.9814     0.9999     5.2116     7.5119     8.5732     7.8430 
   C  65    8.1506     6.1016     5.5234     7.6535    10.8685     1.0000 
   C  66    8.4897     5.6664     1.7321     1.0000    14.6400     7.3175 
   C  67    3.4400     6.2834    10.5521    12.9114     4.5251    11.4592 
   C  68    8.1546     5.2526     1.0000     1.7321    14.0140     6.3190 
   C  69    8.7286     5.8212     2.0000     3.0001    13.9044     4.8324 
   C  70    7.9251     5.2243     2.0000     1.7321    14.3336     7.9062 
   C  71    1.6409     3.4400     7.3576     9.3487     8.3110    10.2684 
   C  72    8.6043     7.5431     8.3722    10.7092     9.0038     3.5423 
   C  73    9.9044     9.1363    10.0987    12.4056     9.1098     4.9659 
   C  74   10.9244     8.2029     4.3590     1.7320    17.2592     9.4057 
   C  75    9.9246     7.2081     3.4641     0.9999    16.2810     8.8212 
   C  76    8.4490     5.9001     3.0000     1.9999    15.0462     8.8951 
   C  77    9.3386     8.0253     8.3441    10.5373    10.0033     2.9670 
   C  78   10.5486     9.5383    10.0754    12.2575    10.0988     4.5734 
   C  79   11.4722     8.6661     4.5826     2.0000    17.5998     9.0831 
   C  80   10.2873     9.0247     9.2377    11.3496    10.5130     3.6038 
   C  81   12.4682     9.6661     5.5678     3.0000    18.5893     9.8059 
   C  82   12.4405     9.8049     6.0828     3.4640    18.9109    11.0333 
   H  83    7.3180     7.9506    10.7326    13.3575     4.6016     7.7596 
   H  84    7.0962     8.2028    11.3774    14.0216     3.3209     8.9011 
   H  85    7.8816     8.8970    11.9274    14.5648     3.7300     9.0880 
   H  86    7.7089     8.3029    11.0040    13.6203     4.7946     7.8391 
   H  87    7.9506     7.2748     8.7132    11.1765     7.8339     4.5084 
   H  88    5.4842     7.3179    11.0958    13.7103     1.9545     9.9073 
   H  89    7.5070     7.9455    10.5409    13.1499     5.1274     7.3323 
   H  90    5.4054     2.6734     2.6742     5.3150    10.4837     4.6015 
   H  91    7.2749     5.4054     5.4990     7.8370     9.9443     1.9544 
   H  92    5.8357     7.5069    11.1668    13.7961     2.0600     9.6896 
   H  93    5.2271     2.4787     2.7051     5.3508    10.3943     4.7835 
   H  94    4.2706     1.9098     3.8421     6.4809     9.2097     5.1120 
   H  95    8.2028     7.9700     9.8303    12.3456     6.9582     5.7965 
   H  96    8.8970     8.4886    10.0443    12.4962     7.6948     5.5715 
   H  97    8.8937     9.2046    11.5071    14.0702     5.9727     7.6569 
   H  98    8.3514     8.4654    10.6473    13.2024     6.2075     6.8231 
   H  99    7.6582     8.0070    10.5035    13.1022     5.3887     7.1588 
   H 100    8.9023     9.8381    12.7136    15.3375     4.3717     9.4795 
   H 101    9.7121    10.5188    13.2129    15.8159     5.1664     9.6238 
   H 102    9.4255    10.0088    12.5169    15.1006     5.5660     8.7683 
   H 103    4.8455     7.0962    11.1221    13.6796     2.1828    10.6150 
   H 104    5.6358     7.8816    11.8761    14.4459     1.4156    11.1321 
   H 105    2.7731     5.4843     9.7298    12.1450     4.5083    10.4912 
   H 106    7.9454     7.0768     8.2970    10.7291     8.2463     3.9824 
   H 107    7.9700     6.4382     6.7899     9.0894     9.6534     2.1828 
   H 108    8.4886     6.7325     6.5715     8.7345    10.4467     1.4156 
   H 109    7.0769     5.0490     4.9726     7.3222    10.1439     2.0599 
   H 110    4.3811     1.4794     2.9192     5.4604    10.1709     5.9145 
   H 111    3.5336     1.1025     4.0669     6.6419     8.9843     5.9429 
   H 112    6.3419     3.4164     0.9340     3.5669    12.0884     5.5949 
   H 113    0.7780     2.7731     6.9215     9.0940     7.7596     9.4012 
   H 114    6.7099     4.0622     2.8291     5.2330    11.2265     3.3855 
   H 115    3.2234     5.8357    10.0488    12.5018     3.9824    10.5244 
   H 116    1.9285     4.8455     9.1132    11.4022     5.7966    10.6168 
   H 117    2.7126     5.6359     9.8994    12.1654     5.5716    11.3489 
   H 118    7.4307     4.6069     2.0295     4.1713    12.3233     3.9107 
   H 119    8.2274     5.3956     2.3451     4.0024    13.0255     3.8328 
   H 120    6.8020     8.6463    12.3542    14.9811     1.0813    10.7566 
   H 121    6.0500     7.8494    11.5716    14.1951     1.5967    10.1528 
   H 122    0.6200     3.2233     7.4169     9.6135     7.3324     9.6783 
   H 123    3.2234     0.6200     3.9974     6.2657     9.6896     7.3119 
   H 124    1.9032     1.9285     5.7707     7.8425     8.9010     8.9059 
   H 125    2.0979     2.7126     6.3609     8.2827     9.0880     9.7015 
   H 126    8.1714     5.9469     4.9958     7.0599    11.2769     1.0813 
   H 127    7.5403     5.4872     5.1475     7.4021    10.4806     1.5968 
   H 128    6.7580     3.8779     0.6200     2.8292    12.8003     6.3717 
   H 129    8.8538     6.1254     2.5046     0.9341    15.2035     8.1665 
   H 130    4.0054     6.8019    11.0590    13.4507     4.0040    11.7147 
   H 131    3.3202     6.0499    10.2943    12.7104     4.1484    10.9440 
   H 132    9.1788     6.2571     2.1943     2.5564    14.4888     5.3565 
   H 133    8.3901     5.4664     1.4332     2.5563    13.8111     5.2834 
   H 134    7.4503     4.8366     2.1944     2.3451    13.9788     8.1298 
   H 135    7.4716     4.7062     1.4332     2.0296    13.7788     7.3704 
   H 136    1.8102     4.0054     7.9737     9.9662     8.0286    10.7413 
   H 137    1.0571     3.3202     7.4188     9.5313     7.7275     9.9595 
   H 138    8.0071     6.9252     7.8726    10.2610     8.7297     3.4027 
   H 139   10.1537     9.5399    10.6602    12.9928     8.9062     5.5858 
   H 140    9.8636     7.0034     2.8292     0.6200    15.8512     7.5674 
   H 141    7.6072     9.6611    13.4720    16.0872     0.6200    11.9555 
   H 142    6.9490     9.2214    13.1908    15.7711     0.6200    12.1655 
   H 143    9.3750     7.1019     5.6456     7.3845    12.2729     0.6201 
   H 144    9.5398     7.5130     6.5593     8.4189    11.7879     0.6200 
   H 145   10.5113     7.8878     4.3443     1.9293    17.0105     9.7523 
   H 146    8.9016     6.2662     2.9561     1.4331    15.3945     8.7231 
   H 147    8.9611     6.4722     3.5889     2.1943    15.6180     9.4469 
   H 148    9.2444     7.7537     7.8242     9.9686    10.3433     2.3478 
   H 149   11.1554    10.1573    10.6245    12.7631    10.4926     5.0135 
   H 150    4.7061     7.6072    11.8798    14.1825     4.7015    12.8581 
   H 151    4.0236     6.9489    11.1990    13.4153     5.5858    12.6421 
   H 152   10.9150     8.0886     3.9717     1.4332    16.9927     8.5295 
   H 153   11.6514     8.8009     4.6148     2.1943    17.6265     8.7345 
   H 154   10.1136     7.2187     3.3533     3.4850    15.0483     4.9898 
   H 155    9.5646     6.7367     3.3533     4.2101    14.1623     3.9283 
   H 156   10.7528     9.3661     9.3096    11.3214    11.1322     3.5058 
   H 157    2.9749     4.7061     8.3221    10.0701     9.0761    11.6339 
   H 158   13.0332    10.2491     6.1775     3.5889    19.1964    10.3847 
   H 159   12.3233     9.5724     5.5909     2.9560    18.5790    10.1450 
   H 160   11.1775     8.6362     5.2330     2.8291    17.7785    10.6490 
   H 161    8.4888     6.2676     4.2100     3.3532    15.3336    10.1495 
   H 162   13.6796    10.8276     6.6201     4.2100    19.6026    10.1628 
   H 163   12.8519     9.9675     5.7153     3.4849    18.6339     9.0916 
   H 164   12.7333    10.0372     6.1648     3.5191    19.0985    10.8537 
   H 165   14.4708    12.4205    10.6993    11.8026    15.8198     5.4166 
   H 166   14.2661    12.6988    11.9128    13.4805    14.3352     6.0307 

              N  31      N  32      N  33      N  34      C  35      C  36
              ------------------------------------------------------------------
   N  31    0.0000 
   N  32   13.5639     0.0000 
   N  33   15.4402     6.0000     0.0000 
   N  34   17.1704     5.1962     3.0000     0.0000 
   C  35    7.0053    11.1156    15.5164    16.0400     0.0000 
   C  36    7.5188    11.9784    16.4894    16.9549     0.9999     0.0000 
   C  37    8.5165    12.0355    16.8101    17.1039     1.7321     1.0000 
   C  38    9.1364     8.8750    13.9418    14.0038     2.9259     3.4484 
   C  39    4.0915    11.8885    15.2970    16.3562     2.9258     3.4485 
   C  40    6.0727    11.5553    15.6515    16.3551     0.9999     1.5074 
   C  41    9.1467     4.5826     8.6603     9.1652     6.9199     7.8693 
   C  42    9.9044     5.9501    11.1484    11.0833     5.3672     6.1361 
   C  43    8.5598     9.7530    14.6454    14.8396     1.9814     2.4484 
   C  44    8.5731     4.9942     8.3345     9.1663     7.1903     8.1719 
   C  45   10.0149     9.3004    14.5905    14.4788     3.4485     3.7226 
   C  46    9.1098    12.9530    17.7966    18.0480     2.6457     1.7320 
   C  47    9.0038    11.2380    16.1899    16.3531     2.0001     1.7321 
   C  48    3.9234    12.8883    16.2265    17.3352     3.4484     3.7227 
   C  49    2.6457    10.9918    13.3559    14.8438     5.3672     6.1361 
   C  50   10.9044     5.5970    11.1224    10.7897     6.1362     6.8288 
   C  51    9.8166     6.9107    12.1464    12.0641     4.6347     5.3225 
   C  52    9.5656     4.6379     9.3071     9.5333     6.5206     7.4227 
   C  53    3.2084    11.7727    14.8200    16.0423     3.8158     4.4188 
   C  54    7.8591     5.7482     8.3917     9.5362     7.3269     8.3248 
   C  55   11.0674     2.6457     6.0828     6.5575     9.5656    10.5125 
   C  56    5.1026     8.6621    10.4508    12.0696     6.9199     7.8692 
   C  57    1.7320    11.8323    13.8757    15.5070     6.1361     6.8289 
   C  58   10.1296     3.4641     6.9282     7.5499     8.6290     9.5875 
   C  59    3.2244    10.3492    12.4321    14.0087     5.9998     6.8411 
   C  60   11.8446     1.7320     6.2449     6.2450     9.7984    10.7099 
   C  61    4.7967    13.4326    17.0151    18.0127     3.2263     3.2291 
   C  62   10.8684     8.8112    14.3122    14.0073     4.4392     4.7175 
   C  63    5.2173     9.0414    10.2244    12.0612     7.8693     8.8044 
   C  64    6.0927     7.6844     9.5427    11.0884     7.1904     8.1719 
   C  65   11.4385     4.6332    10.2790     9.8293     7.0655     7.7909 
   C  66   12.5899     3.4641     3.4641     4.5826    12.0669    13.0350 
   C  67    1.0000    12.7198    14.8743    16.4831     6.1016     6.6747 
   C  68   12.2651     2.6457     4.3589     5.0001    11.2728    12.2273 
   C  69   12.7738     1.0000     5.5678     5.2916    10.7726    11.6744 
   C  70   11.9873     4.3589     3.6056     5.2916    12.0043    12.9892 
   C  71    4.5251    10.0382    11.0053    12.9517     8.1506     9.0391 
   C  72   10.9142     7.8134    13.3526    13.0096     4.9182     5.3559 
   C  73   11.7451     9.4005    15.0449    14.5854     5.1027     5.2174 
   C  74   14.9776     5.0000     1.0000     2.6457    14.7047    15.6684 
   C  75   13.9804     4.5825     1.7321     3.4641    13.7908    14.7616 
   C  76   12.4406     5.1961     2.9999     5.1961    12.8701    13.8609 
   C  77   11.8297     7.4291    13.1626    12.6024     5.9163     6.3311 
   C  78   12.6004     9.0836    14.8765    14.2235     6.0705     6.2143 
   C  79   15.5607     4.5825     1.7321     1.7320    14.8571    15.8014 
   C  80   12.6399     8.1192    13.9557    13.2420     6.4291     6.7118 
   C  81   16.5534     5.2915     2.0000     1.0000    15.8042    16.7415 
   C  82   16.4401     6.5574     1.0000     2.6457    16.4256    17.3923 
   H  83    7.8340    11.2864    15.9245    16.3029     0.8501     0.7780 
   H  84    6.9581    12.1957    16.5328    17.1062     1.0812     0.6201 
   H  85    7.6947    12.5910    17.1049    17.5741     1.5967     0.6200 
   H  86    8.1884    11.4735    16.1992    16.5218     1.2347     0.8742 
   H  87    9.9442     8.5280    13.8193    13.7033     3.7448     4.1867 
   H  88    4.6015    12.4765    16.0616    17.0447     2.6733     2.9630 
   H  89    8.2463    10.9696    15.7370    16.0274     1.2463     1.2773 
   H  90    9.3506     4.2195     7.8610     8.5117     7.6722     8.6358 
   H  91   10.4837     5.1375    10.4823    10.2973     6.2134     6.9861 
   H  92    5.1274    12.4271    16.1880    17.0818     2.2300     2.4460 
   H  93    9.1881     4.3767     7.8739     8.5928     7.6460     8.6158 
   H  94    8.1089     5.4991     8.9488     9.7755     6.5846     7.5695 
   H  95    9.6534     9.7963    14.9804    14.9582     2.9212     3.1231 
   H  96   10.4467     9.7699    15.1404    14.9598     3.6962     3.8108 
   H  97    9.5353    11.6350    16.6895    16.7780     2.5558     2.1114 
   H  98    9.3470    10.7605    15.8249    15.9013     2.3716     2.2901 
   H  99    8.4843    10.8618    15.6989    15.9409     1.4956     1.5200 
   H 100    8.6365    13.2031    17.9055    18.2563     2.5121     1.5201 
   H 101    9.5120    13.5278    18.4090    18.6363     3.2380     2.2901 
   H 102    9.5997    12.7284    17.7088    17.8589     2.9083     2.1115 
   H 103    3.3210    12.7831    15.9162    17.1182     3.8841     4.2535 
   H 104    3.7300    13.4684    16.6994    17.8669     3.9922     4.1736 
   H 105    1.9544    11.8159    14.1897    15.6937     5.4053     6.0713 
   H 106   10.1437     8.0251    13.3740    13.2071     4.1717     4.6687 
   H 107   10.8130     6.2139    11.7315    11.4078     5.7012     6.3444 
   H 108   11.4886     5.6745    11.3603    10.8661     6.4976     7.1313 
   H 109   10.4317     4.7068     9.9678     9.8380     6.5162     7.3265 
   H 110    8.4500     5.2064     7.8047     8.9162     7.8338     8.8279 
   H 111    7.4835     6.0805     8.9932    10.0654     6.7085     7.7067 
   H 112   10.4366     3.4601     6.0722     6.9262     9.4469    10.4175 
   H 113    4.5084     9.4564    10.9386    12.6953     7.2748     8.1867 
   H 114   10.5520     3.2069     7.8742     8.0178     8.0303     8.9375 
   H 115    2.0600    12.0440    14.5917    16.0311     5.0488     5.6647 
   H 116    2.1828    11.4312    13.3076    14.9905     6.4381     7.1857 
   H 117    1.4156    12.2282    14.0292    15.7591     6.7325     7.4034 
   H 118   11.3956     2.1829     6.8164     6.8637     9.1824    10.0915 
   H 119   12.1893     1.4156     6.6108     6.3410     9.7781    10.6631 
   H 120    5.4137    13.6041    17.3616    18.2721     3.0246     2.8507 
   H 121    5.0042    12.8724    16.5679    17.5012     2.6300     2.7240 
   H 122    3.9825     9.9073    11.4649    13.2132     7.0768     7.9609 
   H 123    7.3323     6.5959     8.3284     9.8433     7.9455     8.9430 
   H 124    5.7966     8.4447     9.6455    11.4476     7.9700     8.9284 
   H 125    5.5716     9.1190     9.9252    11.8830     8.4886     9.4244 
   H 126   11.6086     4.0142     9.6785     9.2103     7.5501     8.3074 
   H 127   10.8771     4.5986    10.0432     9.7733     6.7755     7.5516 
   H 128   10.8693     3.6200     5.2330     6.3328    10.2891    11.2669 
   H 129   12.9204     4.2217     2.7608     4.3786    12.7647    13.7414 
   H 130    1.0812    13.1552    15.4473    17.0111     5.9469     6.4408 
   H 131    1.5968    12.3622    14.7484    16.2594     5.4871     6.0768 
   H 132   13.2491     1.0812     5.0468     4.6716    11.3875    12.2919 
   H 133   12.4675     1.5967     5.1817     5.2293    10.8166    11.7408 
   H 134   11.4839     4.8281     4.0023     5.8749    11.7942    12.7862 
   H 135   11.5585     4.0507     4.1713     5.6351    11.3968    12.3800 
   H 136    4.0039    10.6363    11.5996    13.5684     8.1714     9.0245 
   H 137    4.1484     9.9954    11.3002    13.1364     7.5402     8.4237 
   H 138   10.4140     7.4847    12.9067    12.6738     4.6784     5.2183 
   H 139   11.7880    10.0140    15.6344    15.2011     4.9883     4.9858 
   H 140   13.9709     3.2069     2.8292     3.2070    13.0847    14.0308 
   H 141    5.5685    14.7890    18.4307    19.4142     4.1768     3.8588 
   H 142    4.5529    14.7074    18.0375    19.1745     4.6205     4.5127 
   H 143   12.7935     3.9875     9.9254     9.0852     8.4259     9.1117 
   H 144   12.7191     5.0595    10.9790    10.1544     7.8274     8.4351 
   H 145   14.5177     5.4747     0.9341     3.4602    14.6276    15.6047 
   H 146   12.9281     4.8210     2.5563     4.5868    13.0840    14.0681 
   H 147   12.9150     5.6148     2.5562     5.0180    13.4829    14.4746 
   H 148   11.9241     6.8214    12.5865    11.9889     6.2774     6.7597 
   H 149   13.1411     9.5284    15.3711    14.6350     6.5117     6.5819 
   H 150    0.6200    14.1107    16.0569    17.7710     7.1019     7.5410 
   H 151    0.6200    13.5641    15.1986    17.0166     7.5129     8.0633 
   H 152   15.0119     4.0521     2.0295     2.1829    14.2372    15.1815 
   H 153   15.7550     4.2190     2.3452     1.4156    14.7693    15.6998 
   H 154   14.1346     0.6200     5.7153     4.6696    11.7305    12.5894 
   H 155   13.5078     0.6201     6.6200     5.7416    10.7493    11.5895 
   H 156   13.2024     7.9947    13.9019    13.0579     7.0472     7.3307 
   H 157    4.7015    11.1310    11.4603    13.6375     9.3750    10.2235 
   H 158   17.1093     5.8749     2.1943     1.0812    16.4239    17.3615 
   H 159   16.3855     5.6350     1.4332     1.5967    15.9036    16.8533 
   H 160   15.1322     6.3327     0.6199     3.6199    15.4787    16.4598 
   H 161   12.3064     6.6018     3.4848     6.1647    13.4947    14.4938 
   H 162   17.7823     5.7414     3.3533     0.6200    16.6406    17.5516 
   H 163   16.9624     4.6695     3.3533     0.6201    15.6107    16.5143 
   H 164   16.7655     6.3470     1.4158     2.0698    16.5033    17.4601 
   H 165   17.4717     8.2135    13.9927    12.1977    11.7283    12.0477 
   H 166   16.7210     9.9001    15.8797    14.4313    10.3208    10.4299 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    3.2263     0.0000 
   C  39    4.4392     5.3672     0.0000 
   C  40    2.4748     3.8157     1.9814     0.0000 
   C  41    8.1507     5.3672     7.3268     7.1903     0.0000 
   C  42    6.1016     2.9259     6.9199     5.9997     2.9258     0.0000 
   C  43    2.2858     1.0000     4.6347     2.9258     5.9998     3.8158 
   C  44    8.5608     5.9998     7.1903     7.3267     1.0000     3.8158 
   C  45    3.2291     1.0000     6.1361     4.4187     6.1361     3.4485 
   C  46    0.9999     4.0914     5.1026     3.2243     9.1363     7.0053 
   C  47    1.0000     2.3655     4.9182     2.9503     7.5431     5.2879 
   C  48    4.7176     6.1362     1.0000     2.4485     8.3248     7.8693 
   C  49    7.0655     6.9199     2.9258     4.6347     6.5206     7.3268 
   C  50    6.6747     3.4485     7.8693     6.8410     3.4484     1.0000 
   C  51    5.1989     1.9814     6.5206     5.3672     3.8158     1.0000 
   C  52    7.5955     4.6347     7.3268     6.9198     0.9999     1.9814 
   C  53    5.3996     5.9998     1.0000     2.9259     7.1904     7.1904 
   C  54    8.8174     6.5206     6.9199     7.3268     1.9814     4.6347 
   C  55   10.7674     7.8591     9.8165     9.8201     2.6457     5.1027 
   C  56    8.6291     7.3268     5.3671     6.5205     4.6347     6.5206 
   C  57    7.7909     7.8693     3.4484     5.3226     7.4228     8.3248 
   C  58    9.8824     7.0654     8.8173     8.8518     1.7321     4.4391 
   C  59    7.7263     7.1904     3.8158     5.3672     5.9998     7.1904 
   C  60   10.8747     7.8322    10.3219    10.1460     3.0000     4.9553 
   C  61    4.1785     6.1016     1.7320     2.2859     8.9150     8.1506 
   C  62    4.1785     1.7320     7.0654     5.3995     6.1015     3.2263 
   C  63    9.5876     8.3248     6.1361     7.4227     5.3226     7.4227 
   C  64    8.8519     7.1904     5.9998     6.9199     3.8158     5.9998 
   C  65    7.6651     4.4392     8.6290     7.7262     3.2263     1.7321 
   C  66   13.3462    10.4951    11.9947    12.2336     5.1962     7.7457 
   C  67    7.6650     8.1506     3.2264     5.1989     8.2512     8.9150 
   C  68   12.4966     9.5853    11.3766    11.4929     4.3589     6.7957 
   C  69   11.8124     8.7286    11.3207    11.1364     4.0000     5.8211 
   C  70   13.3716    10.6569    11.6917    12.0894     5.2915     8.0299 
   C  71    9.8824     8.9150     6.1015     7.5954     6.2835     8.2512 
   C  72    4.9471     2.0000     7.3036     5.8154     5.2878     2.3654 
   C  73    4.5252     2.6457     7.8591     6.0926     7.0053     4.0915 
   C  74   15.9570    13.0424    14.6135    14.8794     7.8103    10.2212 
   C  75   15.0781    12.2172    13.6358    13.9397     6.9282     9.4415 
   C  76   14.2743    11.6119    12.4153    12.9124     6.2450     9.0162 
   C  77    5.8741     3.0000     8.2831     6.8153     5.5262     2.6670 
   C  78    5.5235     3.4641     8.7768     7.0533     7.1869     4.2729 
   C  79   16.0295    13.0262    14.9576    15.0963     7.9372    10.1484 
   C  80    6.1256     3.6055     8.9697     7.3765     6.5102     3.6666 
   C  81   16.9476    13.9114    15.9483    16.0618     8.8882    11.0146 
   C  82   17.6877    14.7722    16.2670    16.5846     9.5394    11.9423 
   H  83    0.9680     2.6733     3.7449     1.7731     7.2748     5.4053 
   H  84    1.5968     3.8842     2.9211     1.0965     7.9700     6.4382 
   H  85    1.0813     3.9922     3.6961     1.8869     8.4886     6.7325 
   H  86    0.6200     2.7365     4.0969     2.1165     7.5413     5.5579 
   H  87    3.8300     0.8500     6.2133     4.6556     5.4053     2.6733 
   H  88    3.9615     5.4053     0.8500     1.6736     7.9506     7.2748 
   H  89    1.0794     2.2300     4.1717     2.2300     7.0768     5.0489 
   H  90    8.9539     6.2134     7.8696     7.8843     0.8500     3.7449 
   H  91    6.9406     3.7449     7.6721     6.8286     2.6733     0.8501 
   H  92    3.4424     5.0489     1.2463     1.2463     7.9455     7.0768 
   H  93    8.9552     6.2602     7.7728     7.8337     0.9299     3.8519 
   H  94    7.9790     5.5049     6.5845     6.7084     1.1026     3.5336 
   H  95    2.6093     1.0812     5.7012     3.9098     6.4381     3.8841 
   H  96    3.1705     1.5967     6.4976     4.6907     6.7324     3.9922 
   H  97    1.1766     2.7776     5.4439     3.4636     8.0620     5.6951 
   H  98    1.6200     1.9014     5.2889     3.3627     7.2105     4.8187 
   H  99    1.1766     2.0601     4.4169     2.4860     7.0406     4.9252 
   H 100    1.1766     4.4021     4.6925     2.9118     9.2551     7.2751 
   H 101    1.6199     4.6551     5.5648     3.7483     9.7490     7.5777 
   H 102    1.1765     3.8563     5.5518     3.6171     9.0586     6.7816 
   H 103    5.2531     6.4382     1.0812     2.8946     8.2029     7.9700 
   H 104    5.1538     6.7324     1.5967     2.9961     8.8970     8.4885 
   H 105    7.0405     7.2748     2.6733     4.5677     7.3180     7.9506 
   H 106    4.3468     1.2463     6.5161     5.0488     5.0489     2.2300 
   H 107    6.1374     2.9212     7.6067     6.4567     3.8842     1.0813 
   H 108    6.8971     3.6962     8.3720     7.2521     3.9922     1.5968 
   H 109    7.3338     4.1718     7.7984     7.0768     2.2300     1.2464 
   H 110    9.2818     6.8517     7.5252     7.8763     1.8958     4.7453 
   H 111    8.2080     5.9770     6.3391     6.7084     1.9099     4.2706 
   H 112   10.7489     7.9811     9.4492     9.6165     2.6216     5.3731 
   H 113    9.0032     7.9506     5.4053     6.7724     5.4843     7.3180 
   H 114    9.1056     6.0955     8.6819     8.4011     1.4158     3.2768 
   H 115    6.6458     7.0768     2.2300     4.1717     7.5070     7.9455 
   H 116    8.1267     7.9700     3.8841     5.6797     7.0962     8.2028 
   H 117    8.3731     8.4886     3.9922     5.9003     7.8817     8.8970 
   H 118   10.2548     7.2186     9.7532     9.5397     2.4267     4.3528 
   H 119   10.7712     7.6645    10.4764    10.1833     3.1670     4.7496 
   H 120    3.7488     5.9469     2.1830     2.1853     9.1339     8.1714 
   H 121    3.7023     5.4872     1.4156     1.6724     8.3772     7.5403 
   H 122    8.8089     7.9455     5.0489     6.5161     5.8357     7.5070 
   H 123    9.5350     7.5070     7.0767     7.7983     3.2234     5.8357 
   H 124    9.6687     8.2029     6.4382     7.5949     4.8455     7.0962 
   H 125   10.2060     8.8971     6.7325     8.0415     5.6359     7.8817 
   H 126    8.2202     4.9999     8.9699     8.1695     3.0246     2.1829 
   H 127    7.5024     4.3000     8.1761     7.3793     2.6300     1.4156 
   H 128   11.6223     8.8837    10.1550    10.4211     3.5192     6.2766 
   H 129   14.0839    11.2804    12.5588    12.8908     5.9475     8.5622 
   H 130    7.4392     8.1714     3.0246     5.0033     8.6462     9.1338 
   H 131    7.0637     7.5403     2.6299     4.5933     7.8494     8.3771 
   H 132   12.4324     9.3465    11.8958    11.7426     4.5875     6.4364 
   H 133   11.9301     8.9074    11.2027    11.1272     3.9400     6.0362 
   H 134   13.2100    10.5882    11.3446    11.8313     5.2294     8.0534 
   H 135   12.7557    10.0373    11.1343    11.4946     4.6716     7.4200 
   H 136    9.9012     9.1338     5.9468     7.5524     6.8020     8.6462 
   H 137    9.2723     8.3771     5.4871     6.9768     6.0500     7.8493 
   H 138    4.9220     1.7732     6.9009     5.5231     4.7162     1.8151 
   H 139    4.2134     2.8292     7.8274     5.9877     7.5130     4.6206 
   H 140   14.2688    11.2913    13.2122    13.3244     6.1647     8.4364 
   H 141    4.6540     7.1018     3.1408     3.3825    10.2971     9.3750 
   H 142    5.4025     7.5130     2.8292     3.6985    10.1537     9.5398 
   H 143    8.9165     5.7014    10.0447     9.1168     4.1768     3.1408 
   H 144    8.1506     4.9882     9.6984     8.5921     4.6205     2.8292 
   H 145   15.9444    13.1162    14.3693    14.7457     7.8021    10.3588 
   H 146   14.4432    11.6983    12.7550    13.1703     6.3410     9.0260 
   H 147   14.8924    12.2309    12.9921    13.5164     6.8637     9.6255 
   H 148    6.3623     3.3533     8.5063     7.1389     5.1398     2.3985 
   H 149    5.8314     4.0131     9.2737     7.5042     7.7859     4.8794 
   H 150    8.5410     9.3750     4.1768     6.1396     9.6611    10.2971 
   H 151    9.0578     9.5398     4.6205     6.5997     9.2213    10.1536 
   H 152   15.4112    12.4138    14.3516    14.4783     7.3174     9.5414 
   H 153   15.8903    12.8405    14.9914    15.0485     7.8630     9.9393 
   H 154   12.6360     9.4654    12.5046    12.1745     5.1927     6.5432 
   H 155   11.6071     8.4216    11.6561    11.2300     4.4186     5.5066 
   H 156    6.7356     4.2101     9.5680     7.9918     6.7532     4.0012 
   H 157   11.1044    10.2971     7.1018     8.7465     7.6073     9.6611 
   H 158   17.5670    14.5273    16.5543    16.6792     9.5074    11.6280 
   H 159   17.0943    14.1026    15.9339    16.1238     8.9848    11.2283 
   H 160   16.8156    14.0092    15.1430    15.5743     8.6824    11.2618 
   H 161   14.9844    12.4928    12.7438    13.4389     7.1725    10.0411 
   H 162   17.6900    14.5778    16.9745    16.9635     9.7747    11.6546 
   H 163   16.6383    13.5160    16.0148    15.9529     8.7718    10.5915 
   H 164   17.7217    14.7554    16.4527    16.6987     9.5919    11.8938 
   H 165   11.4435     8.8326    14.1007    12.6472     9.5005     7.6171 
   H 166    9.6733     7.6364    12.9959    11.3029     9.9204     7.4087 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    6.5206     0.0000 
   C  45    1.5074     6.8411     0.0000 
   C  46    3.2084     9.5585     3.9233     0.0000 
   C  47    1.5446     8.0444     2.2427     1.7320     0.0000 
   C  48    5.3226     8.1719     6.8289     5.2174     5.3560     0.0000 
   C  49    6.5206     5.9998     7.8693     7.8590     7.3037     3.4484 
   C  50    4.4188     4.4188     3.7227     7.5188     5.7868     8.8045 
   C  51    2.9259     4.6347     2.4485     6.0726     4.3446     7.4228 
   C  52    5.3672     1.9813     5.3226     8.5597     6.9069     8.3248 
   C  53    5.3673     6.9199     6.8411     6.0926     5.8155     1.5074 
   C  54    6.9200     1.0000     7.4228     9.8165     8.4006     7.8693 
   C  55    8.5731     2.6391     8.5252    11.7451    10.1167    10.8029 
   C  56    7.3268     3.8158     8.3248     9.5655     8.5413     6.1361 
   C  57    7.4227     6.8411     8.8044     8.5252     8.1105     3.7226 
   C  58    7.7263     1.6409     7.7909    10.8684     9.2705     9.8031 
   C  59    6.9199     5.3672     8.1720     8.5731     7.8605     4.4187 
   C  60    8.6261     3.2890     8.4023    11.8301    10.1547    11.3184 
   C  61    5.1988     8.8517     6.6746     4.5251     4.9471     1.0000 
   C  62    2.4748     6.9071     1.0001     4.7967     3.1802     7.7909 
   C  63    8.3248     4.4188     9.3222    10.5124     9.5253     6.8288 
   C  64    7.3269     2.9258     8.1720     9.8201     8.6516     6.8411 
   C  65    5.3996     4.2262     4.7176     8.5164     6.7845     9.5876 
   C  66   11.1844     4.9070    11.1710    14.3325    12.7290    12.9500 
   C  67    7.5955     7.7262     9.0392     8.3110     8.1013     3.2291 
   C  68   10.3051     4.2021    10.2335    13.4757    11.8486    12.3491 
   C  69    9.5504     4.2532     9.2509    12.7584    11.0690    12.3169 
   C  70   11.2775     4.8193    11.3962    14.3672    12.8163    12.6213 
   C  71    8.8173     5.3995     9.9149    10.7673     9.9167     6.6746 
   C  72    2.9503     6.1493     1.7321     5.6543     3.9703     8.1105 
   C  73    3.2244     7.8429     1.7320     4.9660     3.5423     8.5252 
   C  74   13.7693     7.5527    13.6681    16.9380    15.3127    15.5596 
   C  75   12.9147     6.6160    12.8777    16.0645    14.4593    14.5774 
   C  76   12.2097     5.7137    12.3667    15.2722    13.7440    13.3228 
   C  77    3.9442     6.4594     2.6458     6.5258     4.8833     9.1019 
   C  78    4.1531     8.0883     2.6457     5.9394     4.5422     9.4733 
   C  79   13.8022     7.8035    13.5917    16.9970    15.3377    15.9218 
   C  80    4.4529     7.4516     3.0000     6.6512     5.1265     9.7379 
   C  81   14.7073     8.7845    14.4470    17.9088    16.2374    16.9146 
   C  82   15.5013     9.2594    15.3903    18.6693    17.0446    17.2017 
   H  83    1.6736     7.6429     2.9629     1.9544     1.1773     4.1868 
   H  84    2.8946     8.1988     4.2536     2.1829     2.3452     3.1231 
   H  85    2.9961     8.7837     4.1736     1.4156     2.0296     3.8108 
   H  86    1.7568     7.9424     2.8901     1.6199     0.8744     4.4923 
   H  87    1.7731     6.1451     0.7780     4.6015     2.8816     6.9861 
   H  88    4.5677     7.8843     6.0713     4.5084     4.5799     0.7780 
   H  89    1.2463     7.5070     2.4459     2.0599     0.7876     4.6689 
   H  90    6.8286     0.7780     6.9861     9.9442     8.3697     8.8591 
   H  91    4.6557     3.6497     4.1868     7.8339     6.1104     8.6359 
   H  92    4.1717     7.9454     5.6647     3.9824     4.0875     1.2774 
   H  93    6.8517     0.6200     7.0508     9.9481     8.3895     8.7591 
   H  94    5.9770     0.6199     6.3791     8.9781     7.4891     7.5696 
   H  95    1.0965     7.0809     0.6199     3.3209     1.6254     6.3445 
   H  96    1.8869     7.4517     0.6200     3.7300     2.1728     7.1314 
   H  97    2.0758     8.5964     2.4421     1.5200     0.6199     5.8184 
   H  98    1.2767     7.7718     1.6395     2.2900     0.6200     5.8033 
   H  99    1.1096     7.5031     2.2056     2.1114     0.6200     4.9282 
   H 100    3.4598     9.6172     4.3517     0.6200     2.1115     4.7221 
   H 101    3.8001    10.1774     4.4132     0.6200     2.2900     5.5951 
   H 102    3.0637     9.5399     3.5521     0.6200     1.5200     5.7371 
   H 103    5.6797     7.9779     7.1857     5.7965     5.8388     0.6199 
   H 104    5.9002     8.7127     7.4034     5.5715     5.8501     0.6199 
   H 105    6.7724     6.8286     8.1867     7.7596     7.3915     2.9629 
   H 106    2.2300     5.8356     1.2774     5.1273     3.4054     7.3265 
   H 107    3.9098     4.8217     3.1231     6.9581     5.2281     8.5157 
   H 108    4.6907     4.9768     3.8108     7.6946     5.9704     9.2908 
   H 109    5.0490     3.2234     4.6689     8.2463     6.5322     8.7769 
   H 110    7.3166     0.9299     7.7189    10.2817     8.8208     8.4795 
   H 111    6.3392     1.1025     6.8984     9.2065     7.8074     7.2982 
   H 112    8.6197     2.2942     8.7191    11.7396    10.1621    10.4204 
   H 113    7.8696     4.6556     8.9506     9.9073     8.9996     6.0713 
   H 114    6.8651     2.1036     6.7163    10.0651     8.3992     9.6818 
   H 115    6.5161     7.0768     7.9608     7.3323     7.0460     2.4459 
   H 116    7.5949     6.4567     8.9284     8.9010     8.3825     4.2535 
   H 117    8.0415     7.2522     9.4244     9.0880     8.7133     4.1736 
   H 118    8.0074     2.8227     7.8013    11.2108     9.5372    10.7514 
   H 119    8.5011     3.6175     8.1728    11.7093    10.0120    11.4760 
   H 120    5.0032     9.1336     6.4408     4.0039     4.5828     1.5968 
   H 121    4.5934     8.3532     6.0769     4.1485     4.4148     1.0812 
   H 122    7.7984     5.0488     8.9431     9.6897     8.8613     5.6647 
   H 123    7.7984     2.2300     8.4473    10.5243     9.2197     7.9608 
   H 124    8.2770     3.9098     9.1928    10.6150     9.5423     7.1858 
   H 125    8.9209     4.6907     9.8922    11.1321    10.1360     7.4034 
   H 126    5.9438     4.0090     5.3192     9.0874     7.3564     9.9428 
   H 127    5.2184     3.6294     4.7058     8.3908     6.6650     9.1474 
   H 128    9.5108     3.1019     9.6260    12.6156    11.0514    11.1111 
   H 129   11.9468     5.5775    11.9757    15.0746    13.4905    13.4979 
   H 130    7.5524     8.1694     9.0246     8.0286     7.9423     2.8507 
   H 131    6.9768     7.3793     8.4237     7.7275     7.4863     2.7239 
   H 132   10.1703     4.7826     9.8616    13.3783    11.6883    12.8900 
   H 133    9.6904     4.0465     9.4834    12.8908    11.2229    12.1929 
   H 134   11.1638     4.6533    11.3641    14.2087    12.6939    12.2578 
   H 135   10.6579     4.2083    10.7791    13.7507    12.1971    12.0724 
   H 136    8.9707     5.9437    10.1308    10.7565     9.9977     6.4408 
   H 137    8.2474     5.2183     9.3758    10.1527     9.3214     6.0768 
   H 138    2.7712     5.5571     1.8397     5.7070     3.9846     7.7444 
   H 139    3.2283     8.3230     1.8397     4.5529     3.2665     8.4353 
   H 140   12.0508     6.0418    11.8846    15.2398    13.5895    14.1822 
   H 141    6.1396    10.2584     7.5409     4.7015     5.5663     2.2901 
   H 142    6.5997    10.0116     8.0633     5.5858     6.2447     1.8397 
   H 143    6.6870     5.1399     5.8355     9.7227     7.9971    11.0031 
   H 144    5.9877     5.6179     4.9858     8.9060     7.1992    10.6242 
   H 145   13.7983     7.4392    13.7898    16.9341    15.3426    15.2964 
   H 146   12.3362     5.8969    12.4185    15.4377    13.8771    13.6783 
   H 147   12.8297     6.3322    12.9828    15.8905    14.3639    13.8919 
   H 148    4.3336     6.1003     3.1408     7.0546     5.3826     9.3606 
   H 149    4.6392     8.6951     3.1408     6.1584     4.8750     9.9397 
   H 150    8.7465     9.1168    10.2235     9.0761     9.0885     3.8588 
   H 151    9.0047     8.5921    10.4399     9.6754     9.5130     4.5126 
   H 152   13.1859     7.1903    12.9866    16.3794    14.7222    15.3182 
   H 153   13.6440     7.8078    13.3689    16.8479    15.1712    15.9654 
   H 154   10.3519     5.5745     9.8696    13.5483    11.8299    13.5043 
   H 155    9.3214     4.9443     8.8057    12.5097    10.7871    12.6558 
   H 156    5.0697     7.7185     3.6201     7.2419     5.7373    10.3456 
   H 157   10.1600     6.6869    11.2960    11.9555    11.2010     7.5409 
   H 158   15.3256     9.3967    15.0577    18.5276    16.8550    17.5185 
   H 159   14.8728     8.8122    14.6723    18.0644    16.4099    16.8898 
   H 160   14.6815     8.2885    14.6900    17.8073    16.2253    16.0578 
   H 161   13.0141     6.5007    13.3020    15.9841    14.5268    13.6015 
   H 162   15.4219     9.7844    15.0375    18.6302    16.9310    17.9539 
   H 163   14.3667     8.8286    13.9678    17.5745    15.8717    16.9996 
   H 164   15.5119     9.3749    15.3407    18.6963    17.0517    17.3993 
   H 165    9.7470    10.4825     8.3306    11.8974    10.4480    14.9371 
   H 166    8.3941    10.9168     6.8886     9.9417     8.7234    13.7167 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50    8.3248     0.0000 
   C  51    7.3268     1.5074     0.0000 
   C  52    6.9199     2.4485     2.9259     0.0000 
   C  53    1.9814     8.1720     6.9200     7.3268     0.0000 
   C  54    5.3672     5.3226     5.3673     2.9258     6.5206     0.0000 
   C  55    8.5598     5.2174     6.0927     3.2244     9.5586     3.2084 
   C  56    2.9258     7.4227     6.9199     5.3672     4.6347     2.9259 
   C  57    1.0000     9.3222     8.3248     7.8693     2.4484     6.1361 
   C  58    7.5954     4.7176     5.3996     2.4748     8.5608     2.2858 
   C  59    1.0000     8.1720     7.3268     6.5206     2.9258     4.6347 
   C  60    9.2874     4.8776     5.9546     3.2890    10.1460     4.0166 
   C  61    4.4391     9.0392     7.5954     8.8173     2.4747     8.6290 
   C  62    8.6290     3.2291     2.2858     5.1988     7.7263     7.5954 
   C  63    3.4484     8.2963     7.8693     6.1361     5.3226     3.4485 
   C  64    3.8158     6.8411     6.5206     4.6346     5.3673     1.9813 
   C  65    8.8173     1.0001     2.4748     2.2858     8.8519     5.1988 
   C  66   10.2974     7.8091     8.7376     5.8629    11.5957     5.0817 
   C  67    1.7320     9.9149     8.8174     8.6290     2.2858     7.0654 
   C  68    9.8713     6.8253     7.7920     4.9519    11.0432     4.5379 
   C  69   10.2388     5.6353     6.8133     4.2531    11.1365     4.9196 
   C  70    9.8005     8.2105     9.0005     6.0789    11.2199     4.7941 
   C  71    3.2263     9.1546     8.6290     7.0653     5.1988     4.4391 
   C  72    8.5413     2.2427     1.5446     4.3446     7.8605     6.9069 
   C  73    9.5656     3.9234     3.2084     6.0727     8.5731     8.5597 
   C  74   12.7980    10.1642    11.2208     8.4125    14.1819     7.6936 
   C  75   11.7987     9.4522    10.4374     7.5827    13.1927     6.7173 
   C  76   10.3752     9.2092     9.9819     7.0573    11.8909     5.5870 
   C  77    9.4068     2.1445     2.1484     4.5358     8.8137     7.3006 
   C  78   10.3457     3.8681     3.5389     6.2109     9.4548     8.8805 
   C  79   13.2956     9.9940    11.1463     8.4374    14.5842     8.0641 
   C  80   10.2727     3.0928     3.1120     5.5157     9.5647     8.2992 
   C  81   14.2952    10.8096    12.0086     9.3522    15.5814     9.0609 
   C  82   14.3513    11.8606    12.9422    10.1437    15.8023     9.3536 
   H  83    6.2134     6.0713     4.5677     6.7723     4.6557     7.8697 
   H  84    5.7011     7.1858     5.6798     7.5949     3.9098     8.2770 
   H  85    6.4976     7.4034     5.9002     8.0414     4.6907     8.9208 
   H  86    6.6015     6.1747     4.6825     7.0026     5.0221     8.1980 
   H  87    7.6721     2.9630     1.6736     4.5677     6.8286     6.7724 
   H  88    3.7448     8.1867     6.7723     7.8696     1.7731     7.6721 
   H  89    6.5161     5.6647     4.1717     6.5161     5.0490     7.7984 
   H  90    6.7724     4.1867     4.6557     1.7731     7.6430     1.6737 
   H  91    7.8696     0.7780     1.7732     1.6736     7.8844     4.5677 
   H  92    4.1717     7.9608     6.5161     7.7983     2.2300     7.7984 
   H  93    6.6192     4.3276     4.7453     1.8957     7.5253     1.4794 
   H  94    5.5049     4.2452     4.2706     1.9098     6.3392     1.1025 
   H  95    7.6067     4.2535     2.8946     5.6797     6.4568     7.5949 
   H  96    8.3720     4.1735     2.9961     5.9002     7.2522     8.0415 
   H  97    7.8967     6.1168     4.7244     7.3888     6.3641     8.9801 
   H  98    7.5146     5.2566     3.8504     6.5206     6.1414     8.1930 
   H  99    6.7154     5.5071     4.0250     6.4486     5.2826     7.8274 
   H 100    7.5188     7.8500     6.3754     8.7350     5.6910     9.8130 
   H 101    8.3734     8.0601     6.6324     9.1615     6.5623    10.4362 
   H 102    8.2320     7.2257     5.8204     8.4266     6.5285     9.8592 
   H 103    2.9211     8.9284     7.5949     8.2769     1.0965     7.6067 
   H 104    3.6961     9.4244     8.0414     8.9208     1.8868     8.3720 
   H 105    0.8500     8.9506     7.8696     7.6721     1.6736     6.2134 
   H 106    7.7983     2.4460     1.2463     4.1717     7.0768     6.5161 
   H 107    8.2770     0.6200     1.0965     2.8947     7.9780     5.6798 
   H 108    8.9208     0.6200     1.8869     2.9962     8.7128     5.9003 
   H 109    7.7984     1.2773     2.2301     1.2463     7.9456     4.1717 
   H 110    5.9780     5.3386     5.5535     2.8930     7.1383     0.6200 
   H 111    4.9323     5.0339     4.9323     2.7385     5.9770     0.6200 
   H 112    7.9878     5.6312     6.3331     3.4077     9.1161     2.6274 
   H 113    2.6734     8.2354     7.6721     6.2133     4.5677     3.7448 
   H 114    7.9318     3.3905     4.2730     1.5157     8.5862     3.0626 
   H 115    1.2463     8.9430     7.7984     7.7983     1.2462     6.5161 
   H 116    1.0812     9.1928     8.2769     7.6066     2.8946     5.7012 
   H 117    1.5968     9.8922     8.9209     8.3720     2.9961     6.4976 
   H 118    8.8131     4.3207     5.3528     2.6697     9.6046     3.6343 
   H 119    9.6018     4.5558     5.7386     3.2660    10.3573     4.4281 
   H 120    4.9999     9.0246     7.5524     8.9707     3.0214     8.9700 
   H 121    4.2999     8.4238     6.9769     8.2474     2.3216     8.1762 
   H 122    2.2301     8.4473     7.7984     6.5161     4.1718     4.1717 
   H 123    5.0489     6.5563     6.5161     4.1717     6.5161     1.2463 
   H 124    3.8842     7.9352     7.6067     5.7011     5.6798     2.9211 
   H 125    3.9923     8.7280     8.3720     6.4976     5.9003     3.6961 
   H 126    8.9708     1.5968     3.0214     2.1853     9.1336     5.0033 
   H 127    8.2474     1.0812     2.3216     1.6724     8.3532     4.5934 
   H 128    8.5110     6.5093     7.2393     4.3143     9.7633     3.2447 
   H 129   10.7198     8.6483     9.5501     6.6574    12.1105     5.6428 
   H 130    2.1828    10.1308     8.9707     8.9698     2.1852     7.5500 
   H 131    1.4156     9.3758     8.2474     8.1761     1.6723     6.7755 
   H 132   10.7403     6.2300     7.4270     4.8697    11.6897     5.3908 
   H 133    9.9724     5.9452     7.0356     4.3351    10.9656     4.6131 
   H 134    9.3545     8.3079     9.0040     6.0794    10.8341     4.5057 
   H 135    9.3148     7.6194     8.3876     5.4642    10.6859     4.2214 
   H 136    3.0246     9.5709     8.9699     7.5500     5.0032     4.9998 
   H 137    2.6300     8.7756     8.1761     6.7754     4.5933     4.2999 
   H 138    8.0008     1.8909     0.9313     3.7939     7.4063     6.2985 
   H 139    9.6984     4.5127     3.6985     6.5997     8.5923     9.0048 
   H 140   11.6374     8.3418     9.4362     6.6836    12.8639     6.3464 
   H 141    5.7014    10.2235     8.7465    10.1599     3.7960    10.0447 
   H 142    4.9882    10.4400     9.0047    10.1212     3.2282     9.6984 
   H 143   10.1599     2.2901     3.7960     3.3825    10.2584     6.1396 
   H 144   10.1212     1.8396     3.2282     3.6985    10.0116     6.5997 
   H 145   12.4226    10.3827    11.3531     8.4844    13.8874     7.4699 
   H 146   10.8047     9.1518    10.0066     7.0959    12.2659     5.8694 
   H 147   10.9025     9.8031    10.5940     7.6704    12.4509     6.1896 
   H 148    9.4434     1.6963     2.1166     4.1406     8.9779     6.9809 
   H 149   10.9191     4.4347     4.1583     6.8050     9.9788     9.4946 
   H 150    3.1407    11.2960    10.1599    10.0447     3.3824     8.4259 
   H 151    2.8291    11.1522    10.1211     9.6983     3.6984     7.8273 
   H 152   12.7218     9.4029    10.5401     7.8202    13.9879     7.4673 
   H 153   13.4354     9.7284    10.9322     8.2968    14.6570     8.1426 
   H 154   11.5743     6.1554     7.4953     5.2577    12.3810     6.2983 
   H 155   10.9076     5.0876     6.4460     4.3458    11.5899     5.7692 
   H 156   10.8067     3.3049     3.5626     5.7533    10.1471     8.6006 
   H 157    4.1768    10.5570    10.0447     8.4259     6.1396     5.7014 
   H 158   14.8734    11.4127    12.6210     9.9716    16.1788     9.6594 
   H 159   14.1834    11.0742    12.2265     9.5063    15.5307     9.0211 
   H 160   13.1131    11.2898    12.2552     9.3800    14.6314     8.2719 
   H 161   10.4629    10.3272    10.9763     8.0609    12.1267     6.1727 
   H 162   15.4616    11.3384    12.6311    10.1290    16.6622    10.1561 
   H 163   14.5916    10.2662    11.5653     9.0928    15.7323     9.2521 
   H 164   14.6211    11.7606    12.8931    10.1449    16.0204     9.5329 
   H 165   14.9314     6.6301     7.6688     8.6227    14.5747    11.4786 
   H 166   14.3472     6.5645     7.0873     8.9392    13.6288    11.8599 

              C  55      C  56      C  57      C  58      C  59      C  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56    6.0727     0.0000 
   C  57    9.3444     3.4484     0.0000 
   C  58    1.0000     5.1988     8.4014     0.0000 
   C  59    7.8430     1.9814     1.5074     6.9072     0.0000 
   C  60    1.0000     6.9304    10.1141     1.7321     8.6260     0.0000 
   C  61   11.4591     7.0653     4.7175    10.4634     5.3995    11.9147 
   C  62    8.3110     8.8173     9.5875     7.6649     8.8518     8.0744 
   C  63    6.4043     1.0000     3.7226     5.6188     2.4484     7.3252 
   C  64    5.0819     1.0001     4.4188     4.2262     2.9259     5.9545 
   C  65    4.5251     7.5954     9.8031     4.1784     8.5608     4.0574 
   C  66    2.6458     7.4916    10.9344     3.4641     9.4411     2.9999 
   C  67   10.2684     4.4390     1.0000     9.3121     2.4747    11.0116 
   C  68    1.7320     7.1712    10.5738     2.6457     9.0678     1.9999 
   C  69    1.7320     7.8025    11.0465     2.6458     9.5504     0.9999 
   C  70    3.0000     6.9261    10.3722     3.6056     8.9016     3.6055 
   C  71    7.3989     1.7320     3.2291     6.6188     2.2858     8.3239 
   C  72    7.3860     8.4006     9.5253     6.7844     8.6515     7.1091 
   C  73    9.1097     9.8165    10.5125     8.5164     9.8201     8.8006 
   C  74    5.1962     9.9258    13.3709     6.0828    11.9017     5.2915 
   C  75    4.3589     8.9259    12.3713     5.1962    10.9017     4.5825 
   C  76    4.0000     7.4613    10.8784     4.5826     9.4419     4.5825 
   C  77    7.3449     9.0561    10.3988     6.8616     9.4563     6.9381 
   C  78    9.0764    10.3831    11.3100     8.5781    10.5360     8.6630 
   C  79    5.2915    10.4725    13.9197     6.2450    12.4316     5.1961 
   C  80    8.2378    10.0316    11.2573     7.8013    10.3683     7.7712 
   C  81    6.2450    11.4684    14.9161     7.2111    13.4293     6.0827 
   C  82    6.9282    11.4485    14.8751     7.8103    13.4299     6.9999 
   H  83    9.9073     7.6721     6.9861     9.0031     6.8286    10.0608 
   H  84   10.6151     7.6066     6.3444     9.6687     6.4567    10.8678 
   H  85   11.1321     8.3719     7.1313    10.2059     7.2522    11.3291 
   H  86   10.1633     8.0560     7.3670     9.2726     7.2209    10.2865 
   H  87    7.7596     7.8696     8.6358     7.0405     7.8843     7.6255 
   H  88   10.4912     6.2133     4.1867     9.4955     4.6556    10.9506 
   H  89    9.6897     7.7984     7.3266     8.8088     7.0768     9.7962 
   H  90    1.9544     4.5678     7.6185     0.9679     6.1452     2.5240 
   H  91    4.5083     6.7724     8.8591     3.9614     7.6430     4.2478 
   H  92   10.5244     6.5161     4.6688     9.5349     5.0489    10.9396 
   H  93    2.0439     4.3812     7.4563     1.0446     5.9781     2.6690 
   H  94    3.2334     3.5336     6.3790     2.2335     4.9323     3.8229 
   H  95    8.9010     8.2769     8.5156     8.1266     7.9779     8.8321 
   H  96    9.0880     8.9208     9.2908     8.3730     8.7128     8.9319 
   H  97   10.6091     9.1610     8.6883     9.7829     8.4692    10.6085 
   H  98    9.7430     8.5454     8.3628     8.9263     8.0055     9.7332 
   H  99    9.6391     7.9216     7.5393     8.7719     7.2536     9.7193 
   H 100   11.8851     9.3775     8.1369    10.9840     8.2776    12.0202 
   H 101   12.3531    10.1523     9.0063    11.4809     9.1138    12.4261 
   H 102   11.6366     9.7894     8.9396    10.7873     8.9021    11.6701 
   H 103   10.6168     5.7011     3.1231     9.6174     3.9098    11.1782 
   H 104   11.3488     6.4975     3.8108    10.3488     4.6906    11.8848 
   H 105    9.4012     3.7448     0.7780     8.4327     1.7731    10.1175 
   H 106    7.3324     7.7983     8.7767     6.6458     7.9454     7.1613 
   H 107    5.7966     7.5950     9.2770     5.2531     8.1989     5.4868 
   H 108    5.5716     8.0415     9.9194     5.1538     8.7838     5.1363 
   H 109    3.9824     6.5162     8.7768     3.4424     7.5070     3.7420 
   H 110    2.6244     3.4577     6.7320     1.7486     5.2271     3.4760 
   H 111    3.6362     2.7385     5.7522     2.6634     4.2706     4.3627 
   H 112    0.8500     5.3825     8.7269     0.9341     7.2198     1.8500 
   H 113    6.8461     0.8500     2.9630     5.9993     1.6736     7.7271 
   H 114    1.8396     5.9169     8.8250     1.4158     7.3865     1.7733 
   H 115    9.6783     4.1717     1.2774     8.6987     2.2300    10.3616 
   H 116    8.9059     2.9211     0.6200     7.9814     1.0965     9.7051 
   H 117    9.7015     3.6961     0.6200     8.7784     1.8869    10.5021 
   H 118    1.0812     6.5601     9.6635     1.4156     8.1886     0.6200 
   H 119    1.5967     7.3539    10.4573     2.1829     8.9843     0.6200 
   H 120   11.7147     7.5501     5.3192    10.7250     5.9438    12.1264 
   H 121   10.9440     6.7754     4.7057     9.9519     5.2184    11.3741 
   H 122    7.3118     1.2462     2.4460     6.4446     1.2463     8.1758 
   H 123    3.9585     2.2301     5.6647     3.1913     4.1717     4.8832 
   H 124    5.8036     1.0813     4.2536     5.0388     2.8947     6.7344 
   H 125    6.4733     1.5968     4.1736     5.7543     2.9962     7.4252 
   H 126    4.0039     7.5524     9.9437     3.7488     8.6477     3.4762 
   H 127    4.1485     6.9769     9.2284     3.7023     7.9667     3.7983 
   H 128    1.4158     5.7694     9.1876     1.8397     7.6845     2.2901 
   H 129    3.4602     7.8543    11.3016     4.2217     9.8275     3.8500 
   H 130   10.7413     4.9998     1.5967     9.7739     3.0213    11.4584 
   H 131    9.9595     4.2999     1.0812     8.9885     2.3216    10.6681 
   H 132    2.1829     8.2346    11.5270     3.1512    10.0250     1.5967 
   H 133    1.4156     7.4420    10.7480     2.4060     9.2442     1.0812 
   H 134    3.1671     6.4555     9.8914     3.6167     8.4363     3.8981 
   H 135    2.4267     6.4717     9.9197     2.9898     8.4359     3.1102 
   H 136    8.0006     2.1828     2.8507     7.2057     2.1852     8.9178 
   H 137    7.3762     1.4155     2.7240     6.5437     1.6723     8.2683 
   H 138    6.8958     7.7878     8.9905     6.2539     8.0786     6.6758 
   H 139    9.6755    10.1212    10.6243     9.0578    10.0117     9.3895 
   H 140    3.5191     8.8686    12.3021     4.4726    10.8026     3.4848 
   H 141   12.8581     8.4258     5.8354    11.8643     6.6869    13.2943 
   H 142   12.6422     7.8273     4.9858    11.6425     5.9877    13.1502 
   H 143    4.7014     8.7465    11.1368     4.6540     9.8501     3.9724 
   H 144    5.5858     9.0047    11.1146     5.4025     9.9150     4.9390 
   H 145    5.2652     9.5191    12.9469     6.0723    11.5005     5.5156 
   H 146    3.9399     7.9070    11.3417     4.6339     9.8879     4.3997 
   H 147    4.5875     7.9808    11.3778     5.1957     9.9578     5.1245 
   H 148    6.8242     8.8988    10.4414     6.3889     9.4273     6.3777 
   H 149    9.6247    10.9990    11.8772     9.1516    11.1285     9.1800 
   H 150   11.6339     5.7013     2.2900    10.6880     3.7959    12.3965 
   H 151   11.0265     4.9881     1.8396    10.1106     3.2282    11.8366 
   H 152    4.6716     9.9164    13.3605     5.6267    11.8678     4.5868 
   H 153    5.2293    10.6546    14.0931     6.2098    12.5957     5.0180 
   H 154    3.1408     9.1991    12.4041     4.0131    10.9155     2.2900 
   H 155    2.8292     8.6950    11.7763     3.5192    10.3105     1.8397 
   H 156    8.3133    10.4572    11.7958     7.9459    10.8703     7.7799 
   H 157    8.4863     3.1408     3.8588     7.7823     3.3825     9.4462 
   H 158    6.8637    12.0332    15.4816     7.8279    13.9994     6.7003 
   H 159    6.3409    11.3238    14.7711     7.2796    13.2964     6.2747 
   H 160    6.1647    10.1945    13.5968     6.9558    12.1732     6.4221 
   H 161    5.1927     7.5442    10.8468     5.6200     9.4880     5.8808 
   H 162    7.1725    12.6825    16.1216     8.1661    14.6241     6.8428 
   H 163    6.1988    11.8603    15.2828     7.1976    13.7791     5.8141 
   H 164    6.9559    11.7366    15.1763     7.8743    13.7157     6.9386 
   H 165    9.8532    13.9494    15.9310     9.9684    14.8019     8.9675 
   H 166   10.9646    13.9249    15.3348    10.8243    14.4084    10.2269 

              C  61      C  62      C  63      C  64      C  65      C  66
              ------------------------------------------------------------------
   C  61    0.0000 
   C  62    7.6650     0.0000 
   C  63    7.7908     9.8031     0.0000 
   C  64    7.7263     8.5608     1.5075     0.0000 
   C  65    9.8824     4.1784     8.4014     6.9072     0.0000 
   C  66   13.6930    10.9451     7.4870     6.5164     7.0397     0.0000 
   C  67    4.1784     9.8824     4.7175     5.3996    10.4635    11.9156 
   C  68   13.0506     9.9797     7.2977     6.1747     6.0436     1.0001 
   C  69   12.9145     8.8609     8.1303     6.8133     4.7413     2.6458 
   C  70   13.4108    11.2550     6.8125     5.9860     7.5214     1.0001 
   C  71    7.6649    10.4634     1.0000     2.4748     9.3120     8.3942 
   C  72    8.1013     1.0000     9.3647     8.0444     3.1802    10.0080 
   C  73    8.3110     1.0000    10.8028     9.5586     4.7967    11.7234 
   C  74   16.3197    13.3656     9.7847     8.9849     9.3073     2.6457 
   C  75   15.3462    12.6221     8.7919     7.9852     8.6375     1.7320 
   C  76   14.1433    12.2423     7.2256     6.5703     8.5208     1.7320 
   C  77    9.1011     1.7320     9.9948     8.6150     2.8841     9.9080 
   C  78    9.2884     1.7320    11.3534    10.0435     4.6057    11.6381 
   C  79   16.6427    13.2197    10.4108     9.5057     9.0890     3.0000 
   C  80    9.6515     2.0000    10.9771     9.6072     3.7239    10.7615 
   C  81   17.6297    14.0386    11.3941    10.5035     9.8807     4.0000 
   C  82   17.9817    15.0719    11.2241    10.5370    10.9852     4.3589 
   H  83    3.8300     3.9614     8.6358     7.8844     7.0405    12.4629 
   H  84    2.6092     5.2532     8.5156     7.9780     8.1268    13.0924 
   H  85    3.1705     5.1538     9.2907     8.7128     8.3731    13.6517 
   H  86    4.0734     3.8760     9.0221     8.2553     7.1565    12.7357 
   H  87    6.9405     0.9680     8.8590     7.6429     3.9615    10.4053 
   H  88    0.9680     7.0405     6.9860     6.8286     9.0031    12.7307 
   H  89    4.3468     3.4424     8.7768     7.9455     6.6458    12.2730 
   H  90    9.5056     6.9405     5.1218     3.6497     3.8299     4.4007 
   H  91    8.9539     3.8300     7.6185     6.1451     0.9680     7.1264 
   H  92    1.0794     6.6457     7.3265     7.0768     8.8088    12.8251 
   H  93    9.4200     7.0310     4.9267     3.4577     3.9987     4.4209 
   H  94    8.2387     6.5119     4.2452     2.7385     4.1948     5.5259 
   H  95    6.1373     1.5967     9.2769     8.1988     5.2531    11.5425 
   H  96    6.8972     1.0812     9.9193     8.7837     5.1538    11.7333 
   H  97    5.3343     3.2815    10.1452     9.2654     7.1168    13.2334 
   H  98    5.4614     2.5620     9.5393     8.5837     6.2565    12.3715 
   H  99    4.6109     3.1982     8.9053     8.0386     6.4945    12.2353 
   H 100    3.9791     5.2669    10.3037     9.6918     8.8412    14.4440 
   H 101    4.8325     5.2396    11.0925    10.4235     9.0596    14.9450 
   H 102    5.0882     4.3643    10.7530     9.9853     8.2258    14.2472 
   H 103    1.5967     8.1267     6.3444     6.4568     9.6687    12.6851 
   H 104    1.0812     8.3730     7.1313     7.2522    10.2059    13.4531 
   H 105    3.9614     9.0031     4.1868     4.6557     9.4955    11.1459 
   H 106    7.3336     1.0794     8.7767     7.5069     3.4425     9.9758 
   H 107    8.6910     2.6092     8.5023     7.0809     1.5968     8.4031 
   H 108    9.4818     3.1704     8.9116     7.4518     1.0814     8.1123 
   H 109    9.1477     4.3468     7.3266     5.8357     1.0793     6.6033 
   H 110    9.2289     7.8185     3.8810     2.4786     5.0987     4.4706 
   H 111    8.0398     7.1204     3.4172     1.9098     5.0215     5.6557 
   H 112   11.1281     8.5990     5.6427     4.3833     5.0459     2.6215 
   H 113    7.0405     9.4955     0.7779     1.7732     8.4327     8.1132 
   H 114   10.2309     6.4739     6.5098     5.0260     2.7753     4.4726 
   H 115    3.4423     8.8088     4.6688     5.0490     9.5349    11.5019 
   H 116    5.2530     9.6687     3.1230     3.9098     9.6174    10.4115 
   H 117    5.1538    10.2059     3.8108     4.6907    10.3489    11.1777 
   H 118   11.3312     7.4958     7.0226     5.6051     3.5456     3.4977 
   H 119   12.0300     7.7802     7.8013     6.3948     3.6733     3.4977 
   H 120    0.6201     7.4392     8.3075     8.1696     9.9012    14.0081 
   H 121    0.6199     7.0637     7.5517     7.3794     9.2724    13.2200 
   H 122    6.6458     9.5349     1.2772     2.2300     8.6986     8.6307 
   H 123    8.8088     8.6986     2.4460     1.2462     6.4446     5.2701 
   H 124    8.1267     9.6174     0.6200     1.0965     7.9814     6.8712 
   H 125    8.3730    10.3489     0.6201     1.8869     8.7783     7.3357 
   H 126   10.2844     4.7971     8.3102     6.8048     0.6199     6.4702 
   H 127    9.4878     4.2880     7.7815     6.2877     0.6199     6.7295 
   H 128   11.8539     9.5028     5.8820     4.7766     5.8840     1.8397 
   H 129   14.2715    11.7703     7.7464     6.9080     7.8872     0.8500 
   H 130    3.7488     9.9012     5.3191     5.9438    10.7250    12.4530 
   H 131    3.7022     9.2723     4.7057     5.2184     9.9518    11.7113 
   H 132   13.5012     9.4582     8.5075     7.2383     5.3203     2.3874 
   H 133   12.8288     9.1505     7.7106     6.4449     5.0993     2.0783 
   H 134   13.0711    11.2773     6.2869     5.5405     7.6763     1.5968 
   H 135   12.8485    10.6459     6.4261     5.5111     6.9513     1.0813 
   H 136    7.4391    10.7250     1.5967     3.0213     9.7739     9.0132 
   H 137    7.0636     9.9518     1.0812     2.3216     8.9884     8.5591 
   H 138    7.8009     1.4157     8.7493     7.4248     2.8806     9.5314 
   H 139    8.1507     1.4158    11.1147     9.9150     5.4026    12.2979 
   H 140   14.8893    11.5532     8.8939     7.8843     7.4734     1.4157 
   H 141    1.4158     8.5409     9.1117     9.1169    11.1043    15.1072 
   H 142    1.4158     9.0578     8.4352     8.5923    11.2701    14.7801 
   H 143   11.2895     5.1440     9.4884     7.9812     1.4157     6.9344 
   H 144   10.8230     4.2133     9.8167     8.3229     1.4158     7.9286 
   H 145   16.0889    13.5465     9.3040     8.6090     9.5713     2.6215 
   H 146   14.4770    12.2444     7.7232     6.9899     8.4145     1.4156 
   H 147   14.7218    12.8510     7.6980     7.1108     9.0989     2.1829 
   H 148    9.4191     2.2900     9.8139     8.3981     2.3213     9.3605 
   H 149    9.7108     2.2901    11.9707    10.6634     5.1263    12.1660 
   H 150    4.6539    11.1043     5.8353     6.6870    11.8643    13.1921 
   H 151    5.4025    11.2700     4.9857     5.9877    11.6424    12.4343 
   H 152   16.0335    12.6257     9.8842     8.9429     8.5074     2.4267 
   H 153   16.6595    12.9574    10.6481     9.6744     8.7999     3.1670 
   H 154   14.0517     9.3553     9.5439     8.2142     5.1789     3.5192 
   H 155   13.1631     8.2823     9.1376     7.7361     4.1073     4.0131 
   H 156   10.2685     2.6200    11.3880     9.9909     3.7919    10.7796 
   H 157    8.5409    11.8643     2.2901     3.7960    10.6880     9.1626 
   H 158   18.2387    14.6414    11.9352    11.0744    10.4786     4.5875 
   H 159   17.6296    14.3004    11.1974    10.3750    10.1664     3.9399 
   H 160   16.8681    14.4522     9.9158     9.3122    10.4771     3.5191 
   H 161   14.4748    13.2575     7.1263     6.7610     9.7047     3.1408 
   H 162   18.6294    14.5488    12.6645    11.7028    10.3706     5.1927 
   H 163   17.6553    13.4753    11.9013    10.8706     9.2973     4.4186 
   H 164   18.1578    14.9840    11.5579    10.8058    10.8605     4.4726 
   H 165   14.9325     7.3319    14.7552    13.2567     6.3563    11.6439 
   H 166   13.5368     5.9321    14.8312    13.3962     6.7206    13.1402 

              C  67      C  68      C  69      C  70      C  71      C  72
              ------------------------------------------------------------------
   C  67    0.0000 
   C  68   11.5357     0.0000 
   C  69   11.9573     1.7320     0.0000 
   C  70   11.3650     1.7321     3.4642     0.0000 
   C  71    4.1784     8.2505     9.1226     7.6758     0.0000 
   C  72    9.9167     9.0343     7.8780    10.3526    10.0914     0.0000 
   C  73   10.7674    10.7444     9.5345    12.0821    11.4591     1.7320 
   C  74   14.3645     3.4642     4.5826     3.0001    10.6172    12.3997 
   C  75   13.3646     2.6458     4.0000     2.0000     9.6328    11.6716 
   C  76   11.8775     2.6458     4.3589     1.0000     8.0194    11.3453 
   C  77   10.8303     8.9157     7.6159    10.3431    10.7711     1.0000 
   C  78   11.6142    10.6448     9.3190    12.0740    12.0619     2.0000 
   C  79   14.9048     3.6056     4.3589     3.6056    11.2813    12.2366 
   C  80   11.6434     9.7640     8.3900    11.2375    11.7407     1.7320 
   C  81   15.9021     4.5826     5.1962     4.5826    12.2557    13.0484 
   C  82   15.8735     5.1962     6.2450     4.5826    12.0022    14.1003 
   H  83    6.9406    11.6313    11.0144    12.4603     8.9539     4.5798 
   H  84    6.1373    12.3143    11.8450    12.9992     8.6909     5.8389 
   H  85    6.8971    12.8463    12.2927    13.5994     9.4817     5.8501 
   H  86    7.3046    11.8912    11.2305    12.7546     9.3453     4.5639 
   H  87    8.9539     9.4637     8.4729    10.6459     9.5055     1.1773 
   H  88    3.8300    12.0837    11.9505    12.4587     6.9404     7.3914 
   H  89    7.3337    11.4194    10.7358    12.3106     9.1476     4.0875 
   H  90    8.5004     3.6102     3.5004     4.4514     6.1127     6.1103 
   H  91    9.5056     6.1539     5.0671     7.4878     8.5003     2.8816 
   H  92    4.3468    12.1468    11.9382    12.5925     7.3336     7.0460 
   H  93    8.3450     3.6611     3.6345     4.4270     5.9184     6.2157 
   H  94    7.2365     4.8196     4.8042     5.4200     5.1945     5.8077 
   H  95    8.6910    10.6216     9.7051    11.7239     9.8166     2.3451 
   H  96    9.4818    10.7876     9.7602    11.9784    10.4964     2.0295 
   H  97    8.6483    12.3394    11.5059    13.3467    10.5345     4.1621 
   H  98    8.4202    11.4723    10.6292    12.4999     9.9883     3.3714 
   H  99    7.5655    11.3705    10.6502    12.2943     9.2991     3.8693 
   H 100    7.8685    13.6105    12.9650    14.4361    10.5055     6.0813 
   H 101    8.7452    14.0844    13.3489    14.9848    11.3257     6.1339 
   H 102    8.7752    13.3685    12.5790    14.3250    11.0578     5.2659 
   H 103    2.6093    12.1212    12.1726    12.3156     6.1373     8.3824 
   H 104    3.1705    12.8740    12.8820    13.0970     6.8971     8.7132 
   H 105    0.9680    10.7210    11.0740    10.6418     3.8300     8.9996 
   H 106    9.1476     9.0243     7.9926    10.2467     9.4658     0.7876 
   H 107    9.8167     7.4235     6.2537     8.7811     9.3242     1.6253 
   H 108   10.4965     7.1180     5.8190     8.5715     9.7732     2.1727 
   H 109    9.4659     5.6335     4.5838     6.9614     8.2336     3.4054 
   H 110    7.6694     3.9180     4.3487     4.2179     4.8805     7.0741 
   H 111    6.6515     5.0664     5.3068     5.4014     4.3737     6.4769 
   H 112    9.6731     1.9293     2.5045     2.6781     6.6298     7.7162 
   H 113    3.9615     7.8603     8.5781     7.4822     0.9679     9.1278 
   H 114    9.6632     3.5191     2.7430     4.8212     7.4966     5.5464 
   H 115    1.0794    11.0445    11.3298    11.0272     4.3468     8.8612 
   H 116    1.5967    10.0827    10.6207     9.8247     2.6092     9.5422 
   H 117    1.0812    10.8654    11.4172    10.5718     3.1705    10.1360 
   H 118   10.5425     2.5068     1.5967     4.0023     8.0223     6.5394 
   H 119   11.3322     2.5068     1.0812     4.1712     8.8013     6.7985 
   H 120    4.7972    13.3354    13.1246    13.7626     8.2201     7.9423 
   H 121    4.2881    12.5552    12.3733    12.9680     7.5024     7.4863 
   H 122    3.4424     8.3630     9.0428     8.0067     1.0793     9.2197 
   H 123    6.6457     4.9461     5.6860     4.7538     3.4424     8.0606 
   H 124    5.2531     6.6778     7.5261     6.2082     1.5968     9.1246 
   H 125    5.1538     7.2286     8.1807     6.6015     1.0813     9.8817 
   H 126   10.6469     5.4714     4.1305     6.9866     9.2474     3.7994 
   H 127    9.9080     5.7445     4.5749     7.1463     8.6925     3.3130 
   H 128   10.1571     1.4158     2.6200     1.7732     6.8369     8.6144 
   H 129   12.2933     1.8501     3.4602     0.9342     8.6063    10.8394 
   H 130    0.6200    12.0477    12.4153    11.9229     4.7970     9.9976 
   H 131    0.6200    11.2859    11.6278    11.2043     4.2881     9.3214 
   H 132   12.4508     1.6278     0.6200     3.3039     9.4914     8.4719 
   H 133   11.6777     1.1266     0.6200     2.8556     8.6949     8.1815 
   H 134   10.8880     2.1829     3.8918     0.6200     7.1270    10.4010 
   H 135   10.9071     1.4156     3.1022     0.6200     7.3229     9.7488 
   H 136    3.7487     8.8694     9.7270     8.2897     0.6200    10.4024 
   H 137    3.7022     8.3443     9.1078     7.8931     0.6200     9.6146 
   H 138    9.4146     8.5685     7.4837     9.8404     9.4831     0.6200 
   H 139   10.8231    11.3231    10.1357    12.6370    11.7336     2.2901 
   H 140   13.2768     1.8397     2.7431     2.2901     9.8071    10.5811 
   H 141    5.1441    14.4590    14.2936    14.8264     8.9164     9.0884 
   H 142    4.2134    14.1871    14.1493    14.4342     8.1506     9.5130 
   H 143   11.8266     5.9428     4.3845     7.5770    10.4339     4.1623 
   H 144   11.7336     6.9310     5.4228     8.5248    10.7242     3.2664 
   H 145   13.9451     3.5669     4.9267     2.6781    10.0963    12.5991 
   H 146   12.3387     2.4060     4.0507     1.0813     8.5434    11.3253 
   H 147   12.3777     3.1513     4.8282     1.5968     8.4581    11.9493 
   H 148   10.9244     8.3648     7.0304     9.8242    10.6254     1.4157 
   H 149   12.1592    11.1698     9.8058    12.6244    12.6748     2.6201 
   H 150    1.4158    12.8547    13.3336    12.5977     5.1440    11.2010 
   H 151    1.4157    12.1563    12.7461    11.7936     4.2133    11.2715 
   H 152   14.3422     2.9899     3.7689     3.1103    10.7701    11.6455 
   H 153   15.0703     3.6167     4.1189     3.8982    11.5430    11.9672 
   H 154   13.2999     2.8292     1.4158     4.4727    10.5371     8.3557 
   H 155   12.6394     3.1408     1.4158     4.8708    10.1375     7.2827 
   H 156   12.2044     9.7796     8.3366    11.3042    12.1762     2.2901 
   H 157    4.6539     9.1494    10.1826     8.3509     1.4158    11.5046 
   H 158   16.4702     5.1957     5.8078     5.1246    12.7833    13.6498 
   H 159   15.7629     4.6339     5.4395     4.3998    12.0326    13.3168 
   H 160   14.5967     4.4726     5.8193     3.4848    10.6641    13.5057 
   H 161   11.8434     4.0131     5.7415     2.2900     7.7933    12.3980 
   H 162   17.0987     5.6200     5.8809     5.8809    13.5496    13.5498 
   H 163   16.2503     4.7207     4.8399     5.2101    12.8128    12.4762 
   H 164   16.1722     5.2331     6.1258     4.8213    12.3626    14.0033 
   H 165   16.4745    10.7327     9.0073    12.4601    15.6682     6.8361 
   H 166   15.7250    12.1643    10.5188    13.8311    15.6529     5.8130 

              C  73      C  74      C  75      C  76      C  77      C  78
              ------------------------------------------------------------------
   C  73    0.0000 
   C  74   14.0838     0.0000 
   C  75   13.3751     1.0000     0.0000 
   C  76   13.0757     2.6457     1.7320     0.0000 
   C  77    2.0000    12.1892    11.5200    11.3427     0.0000 
   C  78    1.0000    13.8988    13.2430    13.0734     1.7320     0.0000 
   C  79   13.8857     1.0000     1.7320     3.4641    11.9484    13.6323 
   C  80    1.7320    12.9726    12.3404    12.2374     1.0000     1.0000 
   C  81   14.6721     1.7320     2.6457     4.3588    12.7134    14.3750 
   C  82   15.7736     1.7320     2.6457     4.0000    13.8607    15.5598 
   H  83    4.5083    15.0850    14.1935    13.3527     5.5578     5.4990 
   H  84    5.7967    15.7343    14.8112    13.8473     6.8260     6.7900 
   H  85    5.5716    16.2861    15.3777    14.4667     6.8093     6.5715 
   H  86    4.3460    15.3499    14.4674    13.6556     5.5227     5.3439 
   H  87    1.9544    12.8944    12.1087    11.6208     2.1721     2.6742 
   H  88    7.7596    15.3598    14.3883    13.2013     8.3870     8.7132 
   H  89    3.9824    14.8807    14.0050    13.2201     5.0572     4.9726 
   H  90    7.8339     7.0330     6.1303     5.3988     6.3008     7.9834 
   H  91    4.6015     9.5375     8.7938     8.4842     2.9058     4.6167 
   H  92    7.3323    15.4633    14.5006    13.3607     8.0450     8.2970 
   H  93    7.9346     7.0610     6.1458     5.3609     6.4310     8.1044 
   H  94    7.4694     8.1716     7.2325     6.2995     6.2002     7.7785 
   H  95    2.1828    14.0715    13.2597    12.6830     3.2657     3.1512 
   H  96    1.4156    14.2104    13.4332    12.9530     2.8113     2.4059 
   H  97    3.4665    15.8013    14.9610    14.2828     5.0127     4.4520 
   H  98    2.9388    14.9328    14.0976    13.4420     4.2711     3.9385 
   H  99    3.7214    14.8339    13.9670    13.2122     4.8306     4.7130 
   H 100    5.5044    17.0654    16.1746    15.3226     6.9845     6.4884 
   H 101    5.3160    17.5474    16.6770    15.8911     6.9714     6.2639 
   H 102    4.4490    16.8326    15.9778    15.2470     6.0958     5.4058 
   H 103    8.9010    15.2755    14.2870    12.9870     9.3634     9.8303 
   H 104    9.0880    16.0507    15.0641    13.7760     9.7065    10.0443 
   H 105    9.9073    13.6403    12.6407    11.2043     9.9008    10.7326 
   H 106    2.0599    12.4414    11.6700    11.2282     1.7759     2.6033 
   H 107    3.3209    10.7761    10.0558     9.7781     1.6420     3.3291 
   H 108    3.7299    10.3882     9.7176     9.5715     1.8029     3.5273 
   H 109    5.1273     9.0272     8.2753     7.9579     3.4196     5.1367 
   H 110    8.7616     7.0908     6.1196     5.0424     7.3887     9.0174 
   H 111    8.0972     8.2802     7.3097     6.2043     6.9328     8.4663 
   H 112    9.4482     5.2652     4.3442     3.6500     7.7756     9.4968 
   H 113   10.4912    10.4697     9.4730     7.9387     9.8167    11.0958 
   H 114    7.2707     6.9559     6.1647     5.8193     5.5287     7.2572 
   H 115    9.6896    14.0217    13.0233    11.6151     9.7848    10.5408 
   H 116   10.6150    12.8202    11.8214    10.3084    10.3837    11.3774 
   H 117   11.1321    13.5624    12.5650    11.0293    11.0036    11.9275 
   H 118    8.2425     5.8749     5.1331     4.9968     6.4103     8.1405 
   H 119    8.4607     5.6350     4.9968     5.1331     6.5542     8.2656 
   H 120    8.0286    16.6443    15.6788    14.5191     8.9407     9.0175 
   H 121    7.7276    15.8544    14.8873    13.7224     8.4860     8.6996 
   H 122   10.5244    10.9953     9.9983     8.4650     9.9468    11.1668 
   H 123    9.6782     7.7494     6.7505     5.3767     8.5020    10.0488 
   H 124   10.6167     9.1878     8.1930     6.6456     9.7080    11.1221 
   H 125   11.3489     9.5369     8.5535     6.9383    10.4830    11.8761 
   H 126    5.4136     8.7033     8.0479     7.9836     3.4863     5.1986 
   H 127    5.0042     9.0873     8.3711     8.1459     3.1968     4.9280 
   H 128   10.3462     4.4726     3.5191     2.7430     8.6518    10.3773 
   H 129   12.5583     2.0790     1.0828     1.0828    10.7525    12.4833 
   H 130   10.7566    14.9230    13.9230    12.4533    10.9336    11.6316 
   H 131   10.1527    14.2033    13.2036    11.7610    10.2423    11.0043 
   H 132   10.1169     4.0521     3.5475     4.1189     8.1842     9.8772 
   H 133    9.8654     4.2190     3.5475     3.7688     7.9834     9.7018 
   H 134   12.1331     3.4977     2.5069     1.0813    10.4508    12.1757 
   H 135   11.4795     3.4978     2.5069     1.5968     9.7564    11.4859 
   H 136   11.7146    11.2241    10.2418     8.6192    11.1176    12.3541 
   H 137   10.9439    10.8658     9.8731     8.3026    10.3234    11.5716 
   H 138    2.2900    11.9648    11.2123    10.8287     1.4158     2.6199 
   H 139    0.6201    14.6768    13.9584    13.6279     2.6200     1.4158 
   H 140   12.2567     1.8397     1.4157     2.6199    10.3535    12.0607 
   H 141    9.0761    17.7350    16.7619    15.5559    10.0837    10.0726 
   H 142    9.6755    17.3833    16.3982    15.1170    10.5130    10.6602 
   H 143    5.5684     8.9300     8.3844     8.5545     3.5684     5.1397 
   H 144    4.5528     9.9858     9.4181     9.5129     2.5620     4.0770 
   H 145   14.3049     0.8500     0.9341     2.0790    12.4534    14.1768 
   H 146   13.0497     2.0783     1.1266     0.6200    11.2681    13.0000 
   H 147   13.6787     2.3874     1.6279     0.6200    11.9324    13.6640 
   H 148    2.6199    11.6092    10.9553    10.8242     0.6199     2.2900 
   H 149    1.4158    14.3884    13.7529    13.6243     2.2901     0.6201 
   H 150   11.9555    15.5897    14.5920    13.0571    12.1345    12.8343 
   H 151   12.1654    14.7703    13.7770    12.2035    12.1683    13.0006 
   H 152   13.3026     1.0812     1.4155     3.1021    11.3744    13.0659 
   H 153   13.5920     1.5968     2.1829     3.8917    11.6354    13.3008 
   H 154    9.9165     4.7207     4.4186     5.2330     7.9329     9.5629 
   H 155    8.8439     5.6201     5.1927     5.7415     6.8625     8.5013 
   H 156    2.2901    12.9114    12.3179    12.3021     1.4158     1.4158 
   H 157   12.8581    11.1848    10.2297     8.5428    12.1869    13.4720 
   H 158   15.2664     2.1829     3.1512     4.8281    13.3025    14.9566 
   H 159   14.9631     1.4155     2.4059     4.0506    13.0217    14.7011 
   H 160   15.2120     1.4157     1.8396     2.7430    13.3596    15.0824 
   H 161   14.1292     3.5191     2.8292     1.4158    12.4712    14.1935 
   H 162   15.1090     3.1408     4.0130     5.7414    13.1202    14.7250 
   H 163   14.0357     2.8292     3.5191     5.2330    12.0476    13.6560 
   H 164   15.6569     1.8397     2.8292     4.3433    13.7215    15.4054 
   H 165    6.9383    13.0156    12.7549    13.3657     5.8388     5.9581 
   H 166    5.2275    14.8820    14.4711    14.7983     4.9527     4.2503 

              C  79      C  80      C  81      C  82      H  83      H  84
              ------------------------------------------------------------------
   C  79    0.0000 
   C  80   12.6813     0.0000 
   C  81    1.0000    13.4097     0.0000 
   C  82    2.0000    14.6207     1.7320     0.0000 
   H  83   15.1861     5.9599    16.1158    16.8133     0.0000 
   H  84   15.9058     7.2526    16.8580    17.4508     1.2951     0.0000 
   H  85   16.4213     7.1307    17.3615    18.0095     1.3326     0.7970 
   H  86   15.4317     5.8621    16.3539    17.0800     0.3925     1.4767 
   H  87   12.8140     2.7569    13.6690    14.6156     3.4093     4.6624 
   H  88   15.6771     8.9991    16.6635    17.0257     3.4094     2.3745 
   H  89   14.9501     5.4392    15.8682    16.6117     0.5264     1.8205 
   H  90    7.2120     7.2732     8.1790     8.7566     8.0636     8.7073 
   H  91    9.4171     3.8664    10.2623    11.2477     6.2543     7.2860 
   H  92   15.7488     8.6209    16.7294    17.1435     2.9255     1.8513 
   H  93    7.2666     7.4082     8.2395     8.7797     8.0562     8.6734 
   H  94    8.4222     7.1993     9.4022     9.8766     7.0534     7.5868 
   H  95   14.0279     3.5888    14.8986    15.7987     2.3745     3.6693 
   H  96   14.1110     2.9561    14.9535    15.9284     3.0937     4.3841 
   H  97   15.8008     5.1357    16.6887    17.5325     1.7090     2.7298 
   H  98   14.9263     4.5072    15.8128    16.6636     1.6336     2.8868 
   H  99   14.8860     5.1918    15.7974    16.5656     0.7872     2.0775 
   H 100   17.1596     7.1654    18.0849    18.7941     1.9811     1.8216 
   H 101   17.5987     7.0290    18.5069    19.2790     2.5713     2.6726 
   H 102   16.8557     6.1567    17.7527    18.5646     2.1174     2.6420 
   H 103   15.6708    10.0428    16.6672    16.8981     4.6624     3.6692 
   H 104   16.4340    10.3296    17.4291    17.6796     4.6942     3.5594 
   H 105   14.1435    10.7296    15.1430    15.1861     6.2542     5.5773 
   H 106   12.3413     2.4965    13.1873    14.1585     3.8908     5.1240 
   H 107   10.6126     2.6299    11.4295    12.4753     5.5774     6.7310 
   H 108   10.1612     2.6667    10.9422    12.0639     6.3617     7.5248 
   H 109    8.9237     4.3690     9.7797    10.7409     6.6113     7.5952 
   H 110    7.4481     8.3802     8.4441     8.7603     8.3444     8.8050 
   H 111    8.6239     7.9327     9.6177     9.9502     7.2577     7.6570 
   H 112    5.5156     8.7055     6.5017     6.9801     9.8551    10.4708 
   H 113   11.0659    10.7828    12.0553    11.9386     8.0636     7.8685 
   H 114    6.9385     6.4435     7.8437     8.6824     8.2878     9.1021 
   H 115   14.5017    10.5847    15.5017    15.5859     5.8928     5.1501 
   H 116   13.3877    11.2701    14.3820    14.3075     7.2860     6.7309 
   H 117   14.1461    11.8677    15.1384    15.0292     7.5821     6.9052 
   H 118    5.8077     7.2694     6.7003     7.5914     9.4411    10.2530 
   H 119    5.4395     7.3490     6.2748     7.3135     9.9896    10.8552 
   H 120   16.9365     9.4369    17.9180    18.3202     3.5206     2.2432 
   H 121   16.1542     9.0461    17.1374    17.5279     3.2737     2.1084 
   H 122   11.5878    10.8989    12.5780    12.4649     7.8845     7.6118 
   H 123    8.2601     9.5019     9.2582     9.3192     8.5706     8.8163 
   H 124    9.8024    10.6989    10.7878    10.6455     8.7073     8.6782 
   H 125   10.2070    11.4713    11.1791    10.9225     9.2533     9.1347 
   H 126    8.4733     4.2953     9.2616    10.3755     7.5668     8.6202 
   H 127    8.9328     4.1078     9.7621    10.7874     6.8199     7.8492 
   H 128    4.8212     9.5704     5.8193     6.1647    10.7199    11.3007 
   H 129    2.6781    11.6098     3.6500     3.7111    13.1881    13.7762 
   H 130   15.4471    11.7138    16.4456    16.4459     6.7695     5.8776 
   H 131   14.7088    11.0457    15.7082    15.7453     6.3280     5.5488 
   H 132    3.7688     8.9372     4.5868     5.6837    11.6335    12.4589 
   H 133    4.1188     8.7937     5.0180     5.9216    11.1040    11.8799 
   H 134    4.1713    11.3689     5.1331     4.9969    12.2845    12.7682 
   H 135    4.0024    10.6597     4.9969     5.1332    11.8464    12.3963 
   H 136   11.8953    12.0751    12.8680    12.5951     8.9927     8.6413 
   H 137   11.4900    11.2829    12.4743    12.2997     8.3475     8.0721 
   H 138   11.8393     2.2900    12.6732    13.6757     4.4415     5.6562 
   H 139   14.4898     2.2901    15.2816    16.3709     4.3215     5.5855 
   H 140    1.7732    11.1331     2.7431     3.5192    13.4196    14.1328 
   H 141   18.0537    10.5408    19.0395    19.3975     4.5853     3.2903 
   H 142   17.7561    11.0496    18.7499    19.0165     5.1716     3.9033 
   H 143    8.5685     4.1569     9.2663    10.5336     8.3495     9.4756 
   H 144    9.6387     3.0887    10.3402    11.5997     7.6613     8.8451 
   H 145    1.8501    13.2745     2.5045     1.9294    15.0507    15.6373 
   H 146    2.8556    12.1383     3.7688     3.5475    13.5351    14.0802 
   H 147    3.3038    12.8196     4.1189     3.5475    13.9696    14.4566 
   H 148   11.3523     1.4157    12.1090    13.2730     5.9823     7.2282 
   H 149   14.0947     1.4158    14.8170    16.0360     5.8937     7.1730 
   H 150   16.1668    12.9180    17.1604    17.0569     7.9121     6.9596 
   H 151   15.3846    13.0020    16.3720    16.1974     8.3494     7.5130 
   H 152    0.6199    12.1213     1.5967     2.5068    14.5667    15.2862 
   H 153    0.6200    12.3382     1.0813     2.5068    15.0661    15.8278 
   H 154    4.2029     8.5876     4.8399     6.1988    11.8940    12.8109 
   H 155    5.1927     7.5307     5.8809     7.1725    10.8832    11.8306 
   H 156   12.5745     0.6200    13.2700    14.5339     6.5797     7.8725 
   H 157   11.9295    13.1563    12.8750    12.4416    10.1971     9.8327 
   H 158    1.5968    13.9874     0.6200     1.6278    16.7357    17.4774 
   H 159    1.0813    13.7462     0.6200     1.1266    16.2450    16.9476 
   H 160    2.2901    14.1780     2.6200     1.4158    15.9158    16.4800 
   H 161    4.4726    13.3942     5.2330     4.4186    14.0405    14.4242 
   H 162    2.2901    13.7388     1.4158     2.8292    16.8952    17.7084 
   H 163    1.8397    12.6712     1.4158     3.1408    15.8514    16.6815 
   H 164    1.7733    14.4533     1.2346     0.6200    16.8628    17.5403 
   H 165   12.3586     5.3361    12.7457    14.3357    11.2932    12.5838 
   H 166   14.3470     4.0824    14.8625    16.3469     9.7338    11.0180 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    1.2868     0.0000 
   H  87    4.6941     3.4118     0.0000 
   H  88    3.0937     3.7182     6.2542     0.0000 
   H  89    1.7707     0.5108     2.9254     3.8909     0.0000 
   H  90    9.2533     8.3410     6.2542     8.5377     7.8845     0.0000 
   H  91    7.5820     6.4025     3.4094     8.0635     5.8928     3.4093 
   H  92    2.5675     3.2200     5.8927     0.5265     3.4198     8.5706 
   H  93    9.2319     8.3403     6.3265     8.4520     7.8894     0.1975 
   H  94    8.1795     7.3596     5.7084     7.2709     6.9324     1.3047 
   H  95    3.5595     2.2794     1.2949     5.5774     1.8514     7.2859 
   H  96    4.1903     2.9433     1.3325     6.3618     2.5675     7.5820 
   H  97    2.2546     1.3471     3.1611     5.0490     1.3926     8.8959 
   H  98    2.6368     1.4158     2.3155     5.0254     1.1344     8.0486 
   H  99    1.9808     0.6950     2.7172     4.1504     0.2641     7.8571 
   H 100    1.0254     1.7346     4.9860     4.0428     2.2338    10.0446 
   H 101    1.8778     2.2400     5.1197     4.9196     2.6751    10.5592 
   H 102    1.9301     1.7346     4.2727     5.0075     2.0654     9.8819 
   H 103    4.3839     4.9875     7.2859     1.2949     5.1240     8.6891 
   H 104    4.1902     4.9787     7.5819     1.3325     5.1905     9.4117 
   H 105    6.3617     6.6313     8.0635     3.4093     6.6112     7.5983 
   H 106    5.1905     3.9134     0.5265     6.6112     3.4198     5.8928 
   H 107    6.9053     5.6575     2.3746     7.8685     5.1502     4.6624 
   H 108    7.6867     6.4311     3.0937     8.6521     5.9260     4.6941 
   H 109    7.9308     6.7803     3.8910     8.2370     6.2735     2.9254 
   H 110    9.4303     8.6618     7.0378     8.2694     8.2465     1.3396 
   H 111    8.3019     7.5889     6.2706     7.0797     7.1948     1.8781 
   H 112   11.0335    10.1354     7.9712    10.1620     9.6799     1.7955 
   H 113    8.6521     8.4534     8.5377     6.2542     8.2370     5.4007 
   H 114    9.5565     8.5153     5.9452     9.2728     8.0266     1.3969 
   H 115    5.9259     6.2625     7.8844     2.9254     6.2734     7.8377 
   H 116    7.5247     7.6728     8.7072     4.6624     7.5951     7.2344 
   H 117    7.6867     7.9607     9.2532     4.6941     7.9308     8.0300 
   H 118   10.7105     9.6665     7.0255    10.3689     9.1762     2.0450 
   H 119   11.2794    10.1954     7.3949    11.0717     9.6972     2.8395 
   H 120    2.6998     3.7190     6.7694     1.3415     4.0462     9.7609 
   H 121    2.7513     3.5410     6.3280     0.5658     3.7822     8.9896 
   H 122    8.4024     8.2764     8.5706     5.8928     8.0883     5.8070 
   H 123    9.5138     8.9226     7.8376     7.8844     8.5639     2.8149 
   H 124    9.4392     9.0877     8.6890     7.2859     8.8120     4.5861 
   H 125    9.9104     9.6391     9.4117     7.5820     9.3901     5.3503 
   H 126    8.8978     7.6986     4.5572     9.3861     7.1879     3.5205 
   H 127    8.1477     6.9667     3.9312     8.5890     6.4568     3.2736 
   H 128   11.8805    11.0070     8.8783    10.8920    10.5570     2.6822 
   H 129   14.3556    13.4703    11.2136    13.3149    13.0148     5.1304 
   H 130    6.6135     7.1198     8.9926     3.5205     7.1910     8.9385 
   H 131    6.3162     6.6942     8.3474     3.2736     6.7170     8.1469 
   H 132   12.9103    11.8503     9.0838    12.5359    11.3557     4.0467 
   H 133   12.3607    11.3377     8.7067    11.8616    10.8508     3.3339 
   H 134   13.3909    12.5908    10.6266    12.1269    12.1595     4.3796 
   H 135   12.9911    12.1390    10.0302    11.8931    11.6936     3.8314 
   H 136    9.4370     9.3852     9.7607     6.7694     9.2192     6.6707 
   H 137    8.8633     8.7393     8.9895     6.3279     8.5494     5.9603 
   H 138    5.7506     4.4786     1.1059     7.0469     3.9807     5.5477 
   H 139    5.2836     4.1124     2.2729     7.6614     3.8043     8.3494 
   H 140   14.6505    13.6688    11.1084    13.9226    13.1897     5.4401 
   H 141    3.5729     4.7316     7.9120     2.3770     5.1102    10.9038 
   H 142    4.3408     5.3798     8.3493     2.2729     5.6955    10.6974 
   H 143    9.6799     8.4374     5.1222    10.4154     7.9294     4.5852 
   H 144    8.9784     7.7103     4.3215     9.9909     7.2104     5.1715 
   H 145   16.2188    15.3314    13.0227    15.1368    14.8742     6.9905 
   H 146   14.6788    13.8268    11.6622    13.5272    13.3800     5.5076 
   H 147   15.0797    14.2736    12.2355    13.7834    13.8390     6.0180 
   H 148    7.2623     5.9769     2.5730     8.6663     5.4965     5.8829 
   H 149    6.8984     5.7077     3.2502     9.1730     5.3701     8.5758 
   H 150    7.6678     8.2526    10.1970     4.5853     8.3481     9.8930 
   H 151    8.2598     8.7104    10.3337     5.1715     8.7473     9.3698 
   H 152   15.8014    14.8129    12.2092    15.0674    14.3319     6.5940 
   H 153   16.3198    15.2993    12.5910    15.6920    14.8113     7.1765 
   H 154   13.2012    12.0772     9.0999    13.0953    11.5723     4.8037 
   H 155   12.1978    11.0558     8.0381    12.2146    10.5489     4.1669 
   H 156    7.7460     6.4795     3.3602     9.6098     6.0586     7.4827 
   H 157   10.6292    10.5896    10.9038     7.9120    10.4231     7.3661 
   H 158   17.9815    16.9735    14.2798    17.2729    16.4877     8.7957 
   H 159   17.4729    16.4946    13.8947    16.6661    16.0152     8.2439 
   H 160   17.0721    16.2011    13.9239    15.9214    15.7477     7.8636 
   H 161   15.0857    14.3644    12.5774    13.5595    13.9542     6.3250 
   H 162   18.1704    17.1104    14.2633    17.6614    16.6145     9.1269 
   H 163   17.1324    16.0617    13.1941    16.6875    15.5642     8.1502 
   H 164   18.0789    17.1188    14.5636    17.1973    16.6433     8.8331 
   H 165   12.4626    11.1977     7.9921    14.2256    10.7740     9.9480 
   H 166   10.7442     9.5558     6.8006    12.9598     9.2085    10.5502 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92    7.8844     0.0000 
   H  93    3.5496     8.4960     0.0000 
   H  94    3.5029     7.3273     1.1901     0.0000 
   H  95    4.6624     5.1501     7.3361     6.5850     0.0000 
   H  96    4.6941     5.9260     7.6508     6.9950     0.7971     0.0000 
   H  97    6.4976     4.5417     8.9230     8.0507     1.8662     2.2107 
   H  98    5.6234     4.5524     8.0811     7.2383     1.0311     1.5556 
   H  99    5.7640     3.6819     7.8686     6.9374     1.6031     2.3073 
   H 100    8.1155     3.5221    10.0363     9.0236     3.7362     4.2198 
   H 101    8.3999     4.3989    10.5645     9.5977     3.8275     4.1607 
   H 102    7.5927     4.4814     9.8981     8.9753     2.9779     3.2847 
   H 103    8.7073     1.8204     8.5777     7.3885     6.7309     7.5248 
   H 104    9.2532     1.7707     9.3063     8.1162     6.9052     7.6867 
   H 105    8.5377     3.8909     7.4485     6.3210     7.8685     8.6521 
   H 106    2.9255     6.2734     5.9766     5.4335     1.8203     1.7706 
   H 107    1.2950     7.6118     4.7902     4.5839     3.6692     3.5594 
   H 108    1.3326     8.4024     4.8453     4.8336     4.3839     4.1902 
   H 109    0.5265     8.0883     3.0748     3.1391     5.1240     5.1905 
   H 110    4.5661     8.3839     1.1459     1.3474     7.9320     8.3333 
   H 111    4.3059     7.1947     1.7077     0.8312     7.0450     7.5183 
   H 112    4.8824    10.2353     1.8017     2.9142     9.0465     9.3035 
   H 113    7.5982     6.6112     5.2118     4.3834     8.8599     9.5342 
   H 114    2.6700     9.2341     1.5943     2.4546     7.1163     7.2685 
   H 115    8.5706     3.4198     7.6961     6.5455     7.6117     8.4024 
   H 116    8.6890     5.1239     7.0651     6.0282     8.6781     9.4392 
   H 117    9.4117     5.1906     7.8613     6.8185     9.1347     9.9105 
   H 118    3.6658    10.3480     2.2109     3.3164     8.2237     8.3371 
   H 119    3.9875    11.0316     3.0073     4.0997     8.6322     8.6797 
   H 120    8.9927     1.1904     9.6859     8.5159     5.8777     6.6136 
   H 121    8.3476     0.4636     8.9108     7.7366     5.5489     6.3163 
   H 122    7.8376     6.2735     5.6220     4.7334     8.8163     9.5139 
   H 123    5.8070     8.0882     2.6178     2.3133     8.5630     9.0671 
   H 124    7.2343     7.5951     4.3894     3.7939     9.1885     9.7994 
   H 125    8.0299     7.9307     5.1530     4.5896     9.8615    10.4932 
   H 126    1.3414     9.2177     3.7022     4.0670     5.8445     5.7658 
   H 127    0.5657     8.4216     3.4345     3.5789     5.1982     5.1937 
   H 128    5.7688    10.9908     2.6676     3.7159     9.9508    10.2106 
   H 129    7.9584    13.4332     5.1319     6.1903    12.3348    12.5438 
   H 130    9.7608     4.0462     8.7894     7.6586     8.6413     9.4371 
   H 131    8.9896     3.7821     7.9993     6.8644     8.0721     8.8634 
   H 132    5.6758    12.5319     4.1688     5.3508    10.3199    10.3667 
   H 133    5.3266    11.8766     3.4413     4.6304     9.9114    10.0128 
   H 134    7.5650    12.2823     4.3282     5.2316    11.6632    11.9568 
   H 135    6.8902    12.0167     3.8081     4.8124    11.1047    11.3626 
   H 136    8.9384     7.1909     6.4782     5.7048     9.9967    10.6993 
   H 137    8.1468     6.7170     5.7706     4.9491     9.2592     9.9506 
   H 138    2.4280     6.7319     5.6458     5.2014     2.3979     2.2859 
   H 139    5.1716     7.2105     8.4428     7.9244     2.1355     1.3414 
   H 140    7.7309    13.9864     5.4974     6.6592    12.3052    12.4167 
   H 141   10.1971     2.3619    10.8219     9.6437     6.9596     7.6678 
   H 142   10.3339     2.4911    10.5983     9.4090     7.5131     8.2599 
   H 143    2.3769    10.2142     4.7757     5.2433     6.4122     6.1915 
   H 144    2.2728     9.7436     5.3494     5.6082     5.5854     5.2835 
   H 145    9.7198    15.2680     6.9947     8.0506    14.1639    14.3491 
   H 146    8.4482    13.6666     5.4916     6.4995    12.7605    12.9942 
   H 147    9.0834    13.9503     5.9808     6.9162    13.3014    13.5679 
   H 148    2.4742     8.3513     6.0238     5.8898     3.7573     3.3699 
   H 149    5.1935     8.7416     8.7001     8.3924     3.5956     2.8161 
   H 150   10.9038     5.1102     9.7341     8.6381     9.8328    10.6292 
   H 151   10.6973     5.6955     9.2002     8.1597    10.1008    10.8901 
   H 152    8.8166    15.1357     6.6500     7.8085    13.4188    13.5095 
   H 153    9.1834    15.7431     7.2471     8.4217    13.8235    13.8736 
   H 154    5.7228    13.0470     4.9551     6.0921    10.3743    10.3283 
   H 155    4.6767    12.1415     4.3397     5.4032     9.3166     9.2590 
   H 156    4.0817     9.2354     7.6285     7.5085     4.2079     3.5650 
   H 157    9.8929     8.3481     7.1693     6.5345    11.1774    11.8709 
   H 158   10.8720    17.3420     8.8546    10.0148    15.5121    15.5614 
   H 159   10.4983    16.7513     8.2901     9.4321    15.1068    15.1922 
   H 160   10.6262    16.0670     7.8610     8.8953    15.0597    15.2512 
   H 161    9.5788    13.7688     6.2518     7.0384    13.5727    13.9025 
   H 162   10.8614    17.6962     9.2094    10.3930    15.5237    15.5112 
   H 163    9.7944    16.7090     8.2421     9.4305    14.4568    14.4393 
   H 164   11.1741    17.2971     8.8699     9.9946    15.7672    15.8662 
   H 165    7.1965    13.8813    10.1380    10.5285     8.9247     8.2757 
   H 166    7.2973    12.5471    10.7191    10.8000     7.4008     6.6430 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    0.8768     0.0000 
   H  99    1.2399     0.8768     0.0000 
   H 100    2.0380     2.7145     2.3520     0.0000 
   H 101    1.9720     2.8059     2.7144     0.8769     0.0000 
   H 102    1.1121     1.9721     2.0379     1.2400     0.8768     0.0000 
   H 103    6.3267     6.2549     5.3782     5.3158     6.1910     6.3017 
   H 104    6.2836     6.3228     5.4526     5.0410     5.9013     6.1190 
   H 105    7.9609     7.6667     6.8307     7.3643     8.2350     8.1827 
   H 106    3.6863     2.8419     3.2208     5.5068     5.6461     4.7981 
   H 107    5.5353     4.6830     4.9795     7.3092     7.4889     6.6465 
   H 108    6.2466     5.4090     5.7482     8.0646     8.2114     7.3585 
   H 109    6.9412     6.0649     6.1585     8.5046     8.8217     8.0278 
   H 110    9.3881     8.5812     8.2612    10.3026    10.9017    10.2982 
   H 111    8.3916     7.6146     7.2291     9.1971     9.8259     9.2576 
   H 112   10.6835     9.8318     9.6522    11.8358    12.3547    11.6757 
   H 113    9.6188     9.0530     8.3805     9.6715    10.4767    10.1755 
   H 114    8.8657     7.9928     7.9537    10.2485    10.6638     9.9171 
   H 115    7.6018     7.3517     6.5016     6.9183     7.7922     7.7738 
   H 116    8.9736     8.5958     7.7957     8.5407     9.4025     9.2887 
   H 117    9.2870     8.9738     8.1462     8.6845     9.5571     9.5149 
   H 118    9.9938     9.1190     9.0998    11.4002    11.8073    11.0532 
   H 119   10.4405     9.5636     9.6045    11.9295    12.2959    11.5184 
   H 120    4.9209     5.1298     4.3077     3.4361     4.2735     4.5853 
   H 121    4.8351     4.9072     4.0460     3.6433     4.5151     4.6813 
   H 122    9.4778     8.9499     8.2452     9.4262    10.2468     9.9848 
   H 123    9.8186     9.0742     8.6237    10.4569    11.1388    10.6275 
   H 124   10.1606     9.5159     8.9241    10.4405    11.2065    10.8223 
   H 125   10.7558    10.1420     9.5161    10.9237    11.7125    11.3706 
   H 126    7.7044     6.8395     7.0459     9.3968     9.6381     8.8110 
   H 127    7.0424     6.1701     6.3259     8.6778     8.9536     8.1412 
   H 128   11.5779    10.7290    10.5351    12.6989    13.2321    12.5625 
   H 129   14.0046    13.1473    12.9856    15.1683    15.6895    15.0061 
   H 130    8.4669     8.2995     7.4324     7.5573     8.4331     8.5190 
   H 131    8.0364     7.8013     6.9478     7.2977     8.1736     8.1818 
   H 132   12.1237    11.2469    11.2702    13.5848    13.9687    13.1978 
   H 133   11.6823    10.8076    10.7795    13.0697    13.4895    12.7397 
   H 134   13.2387    12.4036    12.1562    14.2518    14.8280    14.1926 
   H 135   12.7269    11.8799    11.6761    13.8231    14.3681    13.7062 
   H 136   10.6113    10.1068     9.3847    10.4624    11.2989    11.0776 
   H 137    9.9383     9.4053     8.7049     9.8874    10.7092    10.4482 
   H 138    4.2630     3.4213     3.7882     6.0843     6.2248     5.3750 
   H 139    3.0946     2.6988     3.5402     5.1179     4.8558     4.0043 
   H 140   14.0615    13.1888    13.1298    15.3948    15.8437    15.1087 
   H 141    5.8266     6.1457     5.3652     4.0899     4.8357     5.3150 
   H 142    6.5772     6.7884     5.9583     4.9916     5.7841     6.1851 
   H 143    8.2739     7.4376     7.7601    10.0867    10.2397     9.3856 
   H 144    7.4253     6.6164     7.0207     9.3070     9.3974     8.5314 
   H 145   15.8512    14.9908    14.8424    17.0310    17.5484    16.8596 
   H 146   14.4022    13.5514    13.3601    15.5120    16.0548    15.3883 
   H 147   14.9028    14.0619    13.8317    15.9386    16.5095    15.8666 
   H 148    5.5511     4.7795     5.2820     7.4925     7.5187     6.6457 
   H 149    4.7137     4.2921     5.1071     6.7314     6.4313     5.5955 
   H 150    9.5977     9.4651     8.5937     8.5761     9.4460     9.5902 
   H 151   10.0557     9.8358     8.9802     9.2129    10.0893    10.1547 
   H 152   15.1875    14.3134    14.2686    16.5406    16.9817    16.2405 
   H 153   15.6181    14.7418    14.7369    17.0317    17.4440    16.6852 
   H 154   12.2189    11.3457    11.4613    13.8051    14.1200    13.3155 
   H 155   11.1662    10.2946    10.4311    12.7792    13.0765    12.2658 
   H 156    5.7305     5.1188     5.8108     7.7643     7.6051     6.7362 
   H 157   11.8151    11.3050    10.5875    11.6543    12.4944    12.2807 
   H 158   17.3048    16.4287    16.4163    18.7047    19.1254    18.3699 
   H 159   16.8762    16.0022    15.9540    18.2206    18.6675    17.9284 
   H 160   16.7383    15.8799    15.7199    17.8950    18.4226    17.7409 
   H 161   15.0887    14.2709    13.9697    15.9855    16.6041    16.0069 
   H 162   17.3496    16.4733    16.5249    18.8450    19.2162    18.4339 
   H 163   16.2859    15.4098    15.4712    17.7960    18.1584    17.3723 
   H 164   17.5255    16.6530    16.5875    18.8410    19.3019    18.5713 
   H 165   10.4046     9.8312    10.5277    12.4425    12.2116    11.3601 
   H 166    8.5394     8.1405     8.9466    10.5319    10.1540     9.3553 

              H 103      H 104      H 105      H 106      H 107      H 108
              ------------------------------------------------------------------
   H 103    0.0000 
   H 104    0.7970     0.0000 
   H 105    2.3745     3.0937     0.0000 
   H 106    7.5950     7.9307     8.2369     0.0000 
   H 107    8.6782     9.1347     8.8600     1.8514     0.0000 
   H 108    9.4392     9.9104     9.5342     2.5675     0.7970     0.0000 
   H 109    8.8120     9.3900     8.4988     3.4199     1.8204     1.7707 
   H 110    8.2231     8.9863     6.8254     6.7438     5.7503     5.8878 
   H 111    7.0555     7.8123     5.7695     6.0423     5.3387     5.6314 
   H 112   10.1926    10.9447     8.8358     7.5792     6.1762     6.0480 
   H 113    5.5774     6.3618     3.4094     8.4987     8.3865     8.8551 
   H 114    9.5843    10.2635     8.7325     5.5060     3.9610     3.7806 
   H 115    1.8514     2.5674     0.5265     8.0882     8.8164     9.5138 
   H 116    3.6693     4.3839     1.2950     8.8119     9.1885     9.7994 
   H 117    3.5595     4.1903     1.3326     9.3900     9.8615    10.4932 
   H 118   10.6259    11.3234     9.6348     6.5673     4.9227     4.6151 
   H 119   11.3677    12.0546    10.4207     6.9127     5.1738     4.7536 
   H 120    2.2064     1.6889     4.5572     7.1909     8.6414     9.4371 
   H 121    1.6888     1.4515     3.9312     6.7170     8.0722     8.8634 
   H 122    5.1502     5.9260     2.9256     8.5639     8.5631     9.0672 
   H 123    7.6118     8.4023     5.8928     7.6215     6.8942     7.1394 
   H 124    6.7310     7.5248     4.6625     8.5717     8.1774     8.5447 
   H 125    6.9053     7.6867     4.6942     9.3124     8.9629     9.3385 
   H 126    9.9912    10.5580     9.6806     4.0422     2.2064     1.6889 
   H 127    9.2008     9.7630     8.9404     3.4342     1.6888     1.4515 
   H 128   10.8509    11.6167     9.3609     8.4855     7.0637     6.9066 
   H 129   13.2050    13.9828    11.5628    10.7914     9.2391     8.9584 
   H 130    2.2433     2.6999     1.3413     9.2192     9.9968    10.6993 
   H 131    2.1084     2.7513     0.5657     8.5493     9.2593     9.9507 
   H 132   12.7337    13.4502    11.5802     8.6006     6.8494     6.3935 
   H 133   12.0188    12.7450    10.8148     8.2422     6.5574     6.1806 
   H 134   11.9306    12.7175    10.1897    10.2485     8.8596     8.7043 
   H 135   11.7801    12.5574    10.1601     9.6338     8.1846     7.9931 
   H 136    5.8777     6.6135     3.5205     9.7515     9.7105    10.1908 
   H 137    5.5489     6.3162     3.2736     8.9702     8.9134     9.3955 
   H 138    7.9821     8.3549     8.4862     0.5797     1.2843     1.9878 
   H 139    8.8450     8.9784     9.9910     2.4911     3.9034     4.3408 
   H 140   13.9456    14.7026    12.4873    10.6461     8.9562     8.5536 
   H 141    2.7806     2.0286     5.1221     8.3480     9.8328    10.6292 
   H 142    2.1355     1.3415     4.3214     8.7473    10.1009    10.8901 
   H 143   11.0833    11.6215    10.8592     4.5959     2.7806     2.0285 
   H 144   10.7614    11.2441    10.7673     3.8043     2.1354     1.3414 
   H 145   14.9837    15.7674    13.2569    12.5884    10.9849    10.6512 
   H 146   13.3623    14.1467    11.6407    11.2512     9.7355     9.4801 
   H 147   13.5462    14.3373    11.7256    11.8402    10.3762    10.1552 
   H 148    9.5872     9.9722     9.9805     2.1073     1.3182     1.2528 
   H 149   10.3168    10.5002    11.2879     3.2110     3.9147     4.0572 
   H 150    3.2904     3.5729     2.3769    10.4231    11.1774    11.8709 
   H 151    3.9034     4.3408     2.2728    10.5096    11.0923    11.7461 
   H 152   15.0728    15.8336    13.5706    11.7392    10.0206     9.5826 
   H 153   15.7367    16.4906    14.2851    12.1081    10.3483     9.8622 
   H 154   13.3951    14.0831    12.4019     8.5928     6.7691     6.2018 
   H 155   12.5785    13.2450    11.7192     7.5285     5.6996     5.1279 
   H 156   10.6431    10.9394    11.2832     3.0705     2.9283     2.7971 
   H 157    6.9597     7.6678     4.5853    10.8737    10.7357    11.1746 
   H 158   17.2661    18.0301    15.7202    13.7964    12.0327    11.5366 
   H 159   16.6216    17.3915    15.0279    13.4224    11.6930    11.2371 
   H 160   15.7278    16.5159    13.9392    13.4917    11.8919    11.5572 
   H 161   13.2130    14.0094    11.2605    12.2165    10.8721    10.7307 
   H 162   17.7379    18.4863    16.3115    13.7638    11.9551    11.3980 
   H 163   16.8007    17.5408    15.4414    12.6934    10.8825    10.3241 
   H 164   17.1143    17.8900    15.4613    14.0957    12.3786    11.9336 
   H 165   15.1819    15.5436    15.5193     7.6144     6.6599     6.0206 
   H 166   14.0588    14.2917    14.8120     6.5775     6.3307     5.9668 

              H 109      H 110      H 111      H 112      H 113      H 114
              ------------------------------------------------------------------
   H 109    0.0000 
   H 110    4.1249     0.0000 
   H 111    3.9602     1.1901     0.0000 
   H 112    4.3602     2.0110     3.1394     0.0000 
   H 113    7.3534     4.2514     3.5854     6.1261     0.0000 
   H 114    2.1437     2.7219     3.1849     2.2718     6.7586     0.0000 
   H 115    8.5640     7.1333     6.0422     9.1435     3.8910     8.9225 
   H 116    8.5718     6.2835     5.3576     8.2610     2.3746     8.4826 
   H 117    9.3125     7.0785     6.1537     9.0522     3.0938     9.2722 
   H 118    3.1527     3.1422     3.9185     1.8462     7.3758     1.1540 
   H 119    3.5085     3.9251     4.7147     2.4418     8.1667     1.7991 
   H 120    9.2193     9.5599     8.3700    11.4221     7.5669    10.4156 
   H 121    8.5495     8.7679     7.5778    10.6389     6.8199     9.6759 
   H 122    7.6216     4.7017     3.9601     6.6077     0.5264     7.1446 
   H 123    5.4172     1.4933     1.5839     3.2083     2.9254     4.2082 
   H 124    6.9144     3.3140     2.9631     5.0333     1.2950     5.9808 
   H 125    7.7115     4.0549     3.7592     5.6771     1.3326     6.7470 
   H 126    1.1902     4.8340     4.8978     4.5783     8.3985     2.3330 
   H 127    0.4635     4.5150     4.4042     4.5987     7.8150     2.3365 
   H 128    5.2444     2.6316     3.8160     0.9072     6.4476     3.1269 
   H 129    7.4340     5.0496     6.2393     3.3351     8.4160     5.2966 
   H 130    9.7516     8.1603     7.1106    10.1695     4.5571    10.0617 
   H 131    8.9703     7.3883     6.3258     9.3990     3.9312     9.2649 
   H 132    5.1969     4.8015     5.8116     2.8671     8.9902     3.3572 
   H 133    4.8226     4.0176     5.0517     2.0703     8.1946     2.8258 
   H 134    7.0414     3.9634     5.1231     2.6856     6.9756     4.9257 
   H 135    6.3642     3.6338     4.8220     2.0601     7.0673     4.2290 
   H 136    8.6946     5.4619     4.8948     7.2383     1.3413     8.0460 
   H 137    7.9093     4.7951     4.1506     6.6422     0.5657     7.3217 
   H 138    2.9389     6.4788     5.8617     7.1877     8.5207     5.0593 
   H 139    5.6955     9.2339     8.5215     9.9912    10.7674     7.8359 
   H 140    7.2267     5.7271     6.8907     3.7630     9.5091     5.1961 
   H 141   10.4232    10.6442     9.4549    12.5384     8.3496    11.5947 
   H 142   10.5098    10.3108     9.1323    12.2581     7.6614    11.5005 
   H 143    2.3618     5.9205     6.0716     5.3900     9.5939     3.2762 
   H 144    2.4910     6.4704     6.4360     6.2098     9.8394     3.9883 
   H 145    9.2001     6.8873     8.0743     5.1961    10.0137     7.0824 
   H 146    7.9223     5.2973     6.4788     3.7196     8.4203     5.7792 
   H 147    8.5570     5.6520     6.8081     4.2644     8.4258     6.4155 
   H 148    2.9655     7.0245     6.6531     7.2907     9.6823     5.0278 
   H 149    5.7093     9.6247     9.0840    10.0656    11.7082     7.8156 
   H 150   10.8737     9.0220     8.0338    11.0155     5.1222    11.0714 
   H 151   10.6162     8.4022     7.4928    10.3640     4.3214    10.6132 
   H 152    8.3202     6.8499     8.0217     4.9054    10.5263     6.3235 
   H 153    8.7027     7.5230     8.6813     5.5460    11.2800     6.7847 
   H 154    5.3032     5.7415     6.6526     3.9197     9.9826     3.8241 
   H 155    4.2755     5.2648     6.0449     3.6748     9.5081     3.0074 
   H 156    4.5577     8.6414     8.2670     8.8307    11.2243     6.5591 
   H 157    9.6118     6.0812     5.7054     7.6785     2.3769     8.7613 
   H 158   10.3916     9.0439    10.2205     7.1110    12.6062     8.4626 
   H 159   10.0045     8.4105     9.5949     6.5183    11.8785     8.0117 
   H 160   10.1061     7.7017     8.8825     6.0681    10.6451     7.9860 
   H 161    9.0570     5.7086     6.7885     4.6968     7.8850     6.9507 
   H 162   10.4084     9.5361    10.6853     7.5461    13.3033     8.6142 
   H 163    9.3451     8.6331     9.7621     6.6275    12.5128     7.5805 
   H 164   10.6761     8.9291    10.1180     7.0824    12.2579     8.6602 
   H 165    7.4346    11.2819    11.3592    10.6221    14.7836     8.6259 
   H 166    7.6939    11.8094    11.5971    11.6226    14.7107     9.4098 

              H 115      H 116      H 117      H 118      H 119      H 120
              ------------------------------------------------------------------
   H 115    0.0000 
   H 116    1.8204     0.0000 
   H 117    1.7708     0.7971     0.0000 
   H 118    9.8611     9.2760    10.0721     0.0000 
   H 119   10.6399    10.0723    10.8684     0.7970     0.0000 
   H 120    4.0422     5.8445     5.7659    11.5332    12.2119     0.0000 
   H 121    3.4342     5.1982     5.1938    10.7853    11.4743     0.7971 
   H 122    3.4199     1.8514     2.5676     7.8057     8.5998     7.1879 
   H 123    6.2734     5.1501     5.9260     4.6042     5.3726     9.2177 
   H 124    5.1240     3.6693     4.3840     6.4485     7.2214     8.6202 
   H 125    5.1906     3.5595     4.1903     7.1691     7.9315     8.8978 
   H 126    9.7519     9.7215    10.4710     2.9901     3.0684    10.3315 
   H 127    8.9963     9.0293     9.7674     3.2395     3.4937     9.5379 
   H 128    9.7013     8.6864     9.4655     2.4960     2.9097    12.1724 
   H 129   11.9428    10.7563    11.5049     4.3433     4.3433    14.6093 
   H 130    1.1903     2.2063     1.6888    10.9736    11.7583     4.3683 
   H 131    0.4635     1.6888     1.4516    10.1801    10.9639     4.3146 
   H 132   11.8499    11.0850    11.8799     2.2063     1.6889    13.7195 
   H 133   11.0939    10.3000    11.0941     1.6889     1.4515    13.0663 
   H 134   10.5894     9.3329    10.0692     4.2226     4.4926    13.4426 
   H 135   10.5324     9.3854    10.1441     3.4597     3.6997    13.1906 
   H 136    4.0462     2.2433     2.6999     8.6037     9.3865     8.0133 
   H 137    3.7822     2.1084     2.7513     7.9266     8.7158     7.6137 
   H 138    8.3692     8.9876     9.5973     6.0912     6.4026     7.6844 
   H 139    9.7437    10.7615    11.2442     8.8253     9.0599     7.8285 
   H 140   12.8276    11.7896    12.5615     4.0837     3.8001    15.1750 
   H 141    4.5958     6.4122     6.1916    12.7054    13.3926     1.2045 
   H 142    3.8042     5.5854     5.2836    12.5793    13.2973     1.6620 
   H 143   10.9164    10.9220    11.6685     3.6245     3.4368    11.2967 
   H 144   10.7727    10.9574    11.6740     4.5304     4.4383    10.7768 
   H 145   13.6580    12.3809    13.1057     6.0625     5.9301    16.4396 
   H 146   12.0385    10.7813    11.5141     4.8694     4.9110    14.8346 
   H 147   12.1455    10.7997    11.5082     5.5634     5.6563    15.1048 
   H 148    9.8965    10.3894    11.0372     5.8647     5.9757     9.2929 
   H 149   11.0832    11.9571    12.4958     8.6706     8.7635     9.4125 
   H 150    2.3619     2.7806     2.0285    11.9371    12.7289     5.2590 
   H 151    2.4911     2.1354     1.3413    11.4111    12.2075     6.0207 
   H 152   13.9225    12.8352    13.5986     5.1962     4.8471    16.3239 
   H 153   14.6268    13.5754    14.3436     5.6371     5.1962    16.9330 
   H 154   12.6374    11.9932    12.7902     2.7806     2.0285    14.2241 
   H 155   11.9227    11.4009    12.1962     2.1355     1.3415    13.3099 
   H 156   11.1506    11.7914    12.4031     7.3097     7.3219    10.0564 
   H 157    5.1102     3.2904     3.5729     9.1973     9.9580     9.1275 
   H 158   16.0843    14.9421    15.6939     7.3184     6.8849    18.5302 
   H 159   15.4017    14.2244    14.9700     6.8848     6.5203    17.9368 
   H 160   14.3545    13.0190    13.7264     6.9695     6.8315    17.2326 
   H 161   11.7087    10.2494    10.9188     6.2391     6.4566    14.8955 
   H 162   16.6500    15.6032    16.3703     7.4604     6.9209    18.8866 
   H 163   15.7641    14.7798    15.5559     6.4285     5.8671    17.8989 
   H 164   15.8485    14.6182    15.3516     7.5437     7.2049    18.4792 
   H 165   15.4651    15.8199    16.5098     8.7841     8.3558    14.7491 
   H 166   14.6645    15.3336    15.9433     9.8906     9.6652    13.2543 

              H 121      H 122      H 123      H 124      H 125      H 126
              ------------------------------------------------------------------
   H 121    0.0000 
   H 122    6.4569     0.0000 
   H 123    8.4216     3.4198     0.0000 
   H 124    7.8492     1.8204     1.8513     0.0000 
   H 125    8.1478     1.7707     2.5675     0.7971     0.0000 
   H 126    9.6804     8.6967     6.2388     7.8572     8.6510     0.0000 
   H 127    8.8842     8.0848     5.8396     7.3629     8.1599     0.7971 
   H 128   11.3832     6.9526     3.5405     5.2622     5.8209     5.3881 
   H 129   13.8168     8.9402     5.6710     7.1424     7.5306     7.3195 
   H 130    3.9299     4.0422     7.1878     5.8445     5.7658    10.9389 
   H 131    3.7563     3.4343     6.4568     5.1983     5.1938    10.1561 
   H 132   12.9646     9.4669     6.0754     7.8959     8.5204     4.7051 
   H 133   12.3030     8.6726     5.2786     7.0993     7.7268     4.5037 
   H 134   12.6461     7.5016     4.3289     5.6910     6.0485     7.1687 
   H 135   12.3973     7.5880     4.2681     5.8130     6.2606     6.4283 
   H 136    7.3239     1.1902     4.0421     2.2063     1.6888     9.7352 
   H 137    6.8907     0.4634     3.4342     1.6888     1.4516     8.9604 
   H 138    7.1820     8.6210     7.4456     8.5057     9.2639     3.4868 
   H 139    7.5847    10.7728    10.0957    10.9575    11.6740     6.0207 
   H 140   14.3949    10.0239     6.6402     8.2767     8.7504     6.8672 
   H 141    1.9203     7.9295    10.2142     9.4755     9.6799    11.5360 
   H 142    2.0354     7.2105     9.7437     8.8451     8.9785    11.6583 
   H 143   10.6778     9.8977     7.3612     9.0219     9.8126     1.2045 
   H 144   10.2048    10.0957     7.8437     9.3968    10.1937     1.6620 
   H 145   15.6453    10.5401     7.3944     8.7217     9.0154     8.9819 
   H 146   14.0393     8.9466     5.7725     7.1324     7.4625     7.8558 
   H 147   14.3078     8.9510     5.9350     7.1308     7.3796     8.5534 
   H 148    8.8005     9.8437     8.2024     9.4945    10.2790     2.9089 
   H 149    9.1322    11.7741    10.6661    11.7416    12.4949     5.7056 
   H 150    4.9333     4.5959     7.9294     6.4122     6.1916    12.0566 
   H 151    5.5912     3.8043     7.2104     5.5854     5.2836    11.7820 
   H 152   15.5425    11.0462     7.6966     9.2722     9.7005     7.8938 
   H 153   16.1569    11.7978     8.4289    10.0340    10.4764     8.1808 
   H 154   13.4920    10.4420     7.0987     8.9408     9.5964     4.5633 
   H 155   12.5920     9.9408     6.7036     8.5542     9.2560     3.4933 
   H 156    9.6621    11.3601     9.8205    11.0862    11.8662     4.3196 
   H 157    8.4600     2.3619     4.5959     2.7806     2.0285    10.6002 
   H 158   17.7487    13.1302     9.8306    11.3325    11.7044     9.8590 
   H 159   17.1510    12.4037     9.1351    10.5989    10.9524     9.5500 
   H 160   16.4368    11.1701     8.1190     9.3501     9.5881     9.8866 
   H 161   14.1001     8.4011     5.6806     6.6032     6.7349     9.1960 
   H 162   18.1165    13.8221    10.4573    12.0521    12.4788     9.7529 
   H 163   17.1339    13.0259     9.6303    11.2840    11.7534     8.6798 
   H 164   17.6902    12.7842     9.5751    10.9694    11.2814    10.2454 
   H 165   14.3194    15.0336    12.7108    14.3223    15.1180     6.4760 
   H 166   12.9496    14.8684    13.1023    14.4920    15.2820     7.0791 

              H 127      H 128      H 129      H 130      H 131      H 132
              ------------------------------------------------------------------
   H 127    0.0000 
   H 128    5.4632     0.0000 
   H 129    7.5699     2.4759     0.0000 
   H 130   10.1852    10.6798    12.8486     0.0000 
   H 131    9.4066     9.9265    12.1261     0.7971     0.0000 
   H 132    5.1765     2.7952     3.1409    12.9209    12.1373     0.0000 
   H 133    4.8687     2.0485     2.9129    12.1545    11.3737     0.7970 
   H 134    7.2621     1.7991     1.4964    11.4550    10.7495     3.8007 
   H 135    6.5607     1.1540     1.4256    11.4548    10.7245     3.0432 
   H 136    9.1561     7.4555     9.2192     4.3682     3.9299    10.1020 
   H 137    8.3715     6.9290     8.8271     4.3145     3.7563     9.5089 
   H 138    2.9111     8.0904    10.3554     9.5195     8.8266     8.0873 
   H 139    5.5912    10.8926    13.1295    10.7768    10.2048    10.7211 
   H 140    7.2683     3.1269     1.5504    13.8042    13.0529     2.2194 
   H 141   10.7424    13.2683    15.6873     4.6186     4.7678    14.8846 
   H 142   10.8612    12.9422    15.3174     3.6536     3.9049    14.7250 
   H 143    1.9203     6.1171     7.7790    12.1054    11.3268     4.8786 
   H 144    2.0354     6.9908     8.7770    11.9617    11.2020     5.9338 
   H 145    9.3015     4.3385     1.8634    14.5167    13.8160     4.4581 
   H 146    8.0772     2.8258     0.5994    12.9064    12.2008     3.7402 
   H 147    8.7360     3.3572     1.3953    12.9600    12.2791     4.5336 
   H 148    2.6924     8.1547    10.2075    11.0615    10.3487     7.5921 
   H 149    5.4805    10.9404    13.0133    12.1605    11.5466    10.3527 
   H 150   11.3136    11.4627    13.5304     1.2046     1.9203    13.8166 
   H 151   11.0680    10.7499    12.7277     1.6620     2.0354    13.2019 
   H 152    8.3378     4.2290     2.2065    14.8793    14.1362     3.1902 
   H 153    8.6817     4.9257     3.0017    15.6004    14.8508     3.5076 
   H 154    5.1771     3.9665     4.2048    13.7422    12.9505     1.2046 
   H 155    4.1247     3.9666     4.7939    13.0533    12.2574     1.6621 
   H 156    4.2461     9.6756    11.6296    12.2876    11.6105     8.8616 
   H 157   10.0681     7.7595     9.2590     5.2589     4.9333    10.5005 
   H 158   10.3688     6.4155     4.1905    17.0180    16.2850     5.1962 
   H 159   10.0138     5.7792     3.4695    16.3172    15.5918     4.8470 
   H 160   10.2086     5.1961     2.7348    15.1781    14.4940     5.3354 
   H 161    9.2866     3.8241     2.4764    12.4420    11.8006     5.5277 
   H 162   10.3321     6.9508     4.9608    17.6280    16.8771     5.2617 
   H 163    9.2630     6.0953     4.3302    16.7669    16.0064     4.2234 
   H 164   10.6962     6.3069     3.9120    16.7362    16.0232     5.5403 
   H 165    6.9760    11.2444    12.4292    16.6394    15.9118     9.2909 
   H 166    7.2944    12.3787    13.9724    15.7875    15.1260    10.9245 

              H 133      H 134      H 135      H 136      H 137      H 138
              ------------------------------------------------------------------
   H 133    0.0000 
   H 134    3.2728     0.0000 
   H 135    2.4823     0.7971     0.0000 
   H 136    9.3053     7.7373     7.9411     0.0000 
   H 137    8.7123     7.3680     7.5018     0.7971     0.0000 
   H 138    7.7545     9.8684     9.2320     9.8014     9.0118     0.0000 
   H 139   10.4578    12.6734    12.0311    11.9617    11.2020     2.8059 
   H 140    2.4044     2.9097     2.4960    10.4263     9.9630    10.1588 
   H 141   14.2210    14.4846    14.2643     8.6415     8.3294     8.8531 
   H 142   14.0309    14.0577    13.8919     7.8285     7.5847     9.2166 
   H 143    4.8730     7.8395     7.0647    10.9286    10.1568     4.0163 
   H 144    5.8868     8.7497     7.9901    11.1807    10.3931     3.2325 
   H 145    4.4813     3.0685     3.2542    10.6941    10.3814    12.1353 
   H 146    3.4930     1.4515     1.6889     9.1487     8.8034    10.8287 
   H 147    4.2580     1.6889     2.2064     9.0489     8.7688    11.4366 
   H 148    7.4126     9.9532     9.2450    11.0001    10.2033     1.6200 
   H 149   10.2068    12.7395    12.0410    12.9622    12.1812     3.2400 
   H 150   13.0380    12.0973    12.1645     4.6185     4.7678    10.7199 
   H 151   12.4137    11.2726    11.3881     3.6535     3.9049    10.7546 
   H 152    3.5076     3.6998     3.4598    11.3864    10.9610    11.2411 
   H 153    3.9622     4.4927     4.2226    12.1604    11.7226    11.5928 
   H 154    1.9203     4.9904     4.2428    11.1405    10.5156     8.0460 
   H 155    2.0354     5.3075     4.5178    10.7249    10.0569     6.9785 
   H 156    8.7732    11.4682    10.7399    12.5290    11.7342     2.8059 
   H 157    9.7112     7.7626     8.0813     1.2046     1.9203    10.8972 
   H 158    5.6371     5.6564     5.5635    13.3928    13.0162    13.2799 
   H 159    5.1961     4.9110     4.8694    12.6397    12.2785    12.9205 
   H 160    5.3844     3.8000     4.0837    11.2496    10.9848    13.0406 
   H 161    5.1395     2.0285     2.7806     8.3577     8.1678    11.8548 
   H 162    5.8364     6.4566     6.2392    14.1655    13.7410    13.2258 
   H 163    4.8331     5.8131     5.4932    13.4318    12.9699    12.1542 
   H 164    5.8576     5.2854     5.3349    12.9624    12.6373    13.5992 
   H 165    9.6063    12.8347    12.0380    16.1249    15.3364     7.2000 
   H 166   11.0621    14.1064    13.3294    16.0278    15.2312     6.3475 

              H 139      H 140      H 141      H 142      H 143      H 144
              ------------------------------------------------------------------
   H 139    0.0000 
   H 140   12.8528     0.0000 
   H 141    8.8327    16.2982     0.0000 
   H 142    9.4867    16.0192     1.0739     0.0000 
   H 143    6.1885     7.0975    12.4982    12.6805     0.0000 
   H 144    5.1715     8.1498    11.9675    12.2311     1.0739     0.0000 
   H 145   14.8868     2.2718    17.5044    17.1059     9.3108    10.3477 
   H 146   13.6143     2.0484    15.8921    15.4856     8.3478     9.3361 
   H 147   14.2337     2.7951    16.1329    15.6787     9.0892    10.0628 
   H 148    3.2400     9.7714    10.4541    10.8346     2.9485     1.9487 
   H 149    1.6200    12.5488    10.4369    11.0653     5.5552     4.4825 
   H 150   11.9676    14.5694     5.2845     4.2365    13.2332    13.1212 
   H 151   12.2311    13.8281     6.1884     5.1715    12.9759    12.9503 
   H 152   13.9045     1.1541    17.4437    17.1537     8.0270     9.0936 
   H 153   14.2011     1.7992    18.0653    17.8036     8.2005     9.2740 
   H 154   10.5327     3.0074    15.4088    15.3246     4.4340     5.5074 
   H 155    9.4598     3.8242    14.5023    14.4618     3.3864     4.4600 
   H 156    2.8059    11.0732    11.1609    11.6677     4.0072     2.9358 
   H 157   13.1213    10.5755     9.6939     8.8327    11.7770    12.1026 
   H 158   15.8771     3.3573    19.6493    19.3527     9.8381    10.9119 
   H 159   15.5680     2.8258    19.0430    18.7195     9.6223    10.6944 
   H 160   15.7936     3.1269    18.2823    17.8564    10.2008    11.2420 
   H 161   14.6606     3.9665    15.8728    15.3477     9.8440    10.7693 
   H 162   15.7262     3.8242    20.0302    19.7933     9.5854    10.6501 
   H 163   14.6527     3.0074    19.0508    18.8392     8.5164     9.5826 
   H 164   16.2601     3.4641    19.5729    19.2229    10.3345    11.4059 
   H 165    7.3566    11.3458    15.8683    16.3410     5.3629     4.9447 
   H 166    5.4607    13.1070    14.2857    14.9029     6.2673     5.4218 

              H 145      H 146      H 147      H 148      H 149      H 150
              ------------------------------------------------------------------
   H 145    0.0000 
   H 146    1.6224     0.0000 
   H 147    1.6850     0.7971     0.0000 
   H 148   11.8893    10.7316    11.4080     0.0000 
   H 149   14.6869    13.5372    14.2107     2.8059     0.0000 
   H 150   15.1338    13.5425    13.5333    12.2559    13.3610     0.0000 
   H 151   14.2825    12.7081    12.6594    12.2357    13.5519     1.0739 
   H 152    1.8462     2.4823     3.0432    10.7820    13.5361    15.6155 
   H 153    2.4419     3.2727     3.8007    11.0320    13.7472    16.3559 
   H 154    5.2711     4.7998     5.5966     7.3199     9.9891    14.6863 
   H 155    6.0897     5.3920     6.1817     6.2508     8.9365    14.0410 
   H 156   13.2504    12.1722    12.8731     1.6200     1.6200    13.4910 
   H 157   10.5849     9.1111     8.9075    12.0388    14.0838     5.2844 
   H 158    2.8672     4.2580     4.5336    12.6960    15.3921    17.7183 
   H 159    2.0703     3.4930     3.7401    12.4238    15.1583    16.9966 
   H 160    0.9071     2.4044     2.2193    12.7945    15.5910    15.7507 
   H 161    2.7349     1.9203     1.2046    11.9786    14.7609    12.9264 
   H 162    3.9197     5.1395     5.5278    12.5045    15.1246    18.3837 
   H 163    3.6748     4.6141     5.1271    11.4322    14.0596    17.5574 
   H 164    2.2718     3.8376     3.9475    13.1256    15.8661    17.3800 
   H 165   13.6070    13.0276    13.8172     5.6001     5.8000    17.8270 
   H 166   15.3731    14.5552    15.3151     5.0285     3.8489    16.9920 

              H 151      H 152      H 153      H 154      H 155      H 156
              ------------------------------------------------------------------
   H 151    0.0000 
   H 152   14.8474     0.0000 
   H 153   15.6013     0.7971     0.0000 
   H 154   14.1234     3.7158     3.7856     0.0000 
   H 155   13.5363     4.6686     4.8141     1.0739     0.0000 
   H 156   13.5539    12.0284    12.2065     8.4322     7.3927     0.0000 
   H 157    4.2364    11.4598    12.2491    11.5968    11.2798    13.5917 
   H 158   16.9179     2.2063     1.6889     5.4053     6.4567    13.8372 
   H 159   16.1827     1.6888     1.4515     5.2260     6.2391    13.6296 
   H 160   14.8707     2.4959     2.9097     6.0953     6.9507    14.1495 
   H 161   12.0052     4.2428     4.9904     6.6487     7.1371    13.4966 
   H 162   17.6247     2.7806     2.0285     5.1962     6.2701    13.5379 
   H 163   16.8295     2.1355     1.3414     4.1223     5.1962    12.4766 
   H 164   16.5410     2.3584     2.1694     5.9435     6.9530    14.3415 
   H 165   17.7508    11.9640    11.8294     8.3385     7.6357     4.7181 
   H 166   17.0843    13.8827    13.8730    10.1681     9.2836     3.5423 

              H 157      H 158      H 159      H 160      H 161      H 162
              ------------------------------------------------------------------
   H 157    0.0000 
   H 158   13.3674     0.0000 
   H 159   12.5933     0.7971     0.0000 
   H 160   11.0585     2.7951     2.0484     0.0000 
   H 161    8.0870     5.5965     4.7998     3.0074     0.0000 
   H 162   14.2178     1.2046     1.9203     3.9665     6.6486     0.0000 
   H 163   13.5549     1.6621     2.0354     3.9665     6.3069     1.0739 
   H 164   12.8542     1.0201     0.7184     1.9436     4.9003     2.2146 
   H 165   17.0432    13.1904    13.2592    14.4137    14.7458    12.5073 
   H 166   17.0655    15.3604    15.3240    16.2321    16.1065    14.8061 

              H 163      H 164      H 165      H 166
              --------------------------------------------
   H 163    0.0000 
   H 164    2.6008     0.0000 
   H 165   11.5778    13.9621     0.0000 
   H 166   13.8151    16.0403     2.8315     0.0000 



ATOMIC CHARGES
   S   1    0.2050592327
   O   2   -0.2737624528
   O   3   -0.2737513147
   O   4   -0.2737618523
   O   5   -0.2737618283
   O   6   -0.2737619675
   O   7   -0.2737619670
   O   8   -0.2737619658
   O   9   -0.2737790309
   O  10   -0.2737614906
   O  11   -0.3949322553
   O  12   -0.3949322553
   O  13   -0.2737620896
   O  14   -0.2795122956
   O  15   -0.2312186882
   O  16   -0.2312186882
   O  17   -0.1182520766
   O  18   -0.1182520766
   N  19   -0.3024566431
   N  20   -0.3024313999
   N  21   -0.3021608643
   N  22   -0.3024309099
   N  23   -0.3024212268
   N  24   -0.3024310194
   N  25   -0.3023976036
   N  26   -0.3137089648
   N  27   -0.3024306457
   N  28   -0.3023974827
   N  29   -0.3299067022
   N  30   -0.3299067022
   N  31   -0.3299067022
   N  32   -0.3299067022
   N  33   -0.3065170642
   N  34   -0.3299067027
   C  35    0.0996494233
   C  36   -0.0236295559
   C  37   -0.0445908275
   C  38    0.1033583592
   C  39    0.1005571292
   C  40    0.2339547991
   C  41    0.1008266185
   C  42    0.1005572488
   C  43    0.2342666907
   C  44   -0.0103466392
   C  45   -0.0006574974
   C  46   -0.0625950872
   C  47   -0.0625950872
   C  48   -0.0135978823
   C  49    0.1005571327
   C  50   -0.0135978818
   C  51    0.2339968360
   C  52    0.2339984934
   C  53    0.2339886894
   C  54    0.0137810923
   C  55    0.1005571332
   C  56    0.1014657455
   C  57   -0.0135978823
   C  58    0.2339888023
   C  59    0.2339890756
   C  60   -0.0135978823
   C  61   -0.0047690172
   C  62   -0.0451406744
   C  63   -0.0026968671
   C  64    0.2334381640
   C  65   -0.0047690172
   C  66    0.1014832564
   C  67   -0.0047690172
   C  68    0.2340223620
   C  69   -0.0047690172
   C  70   -0.0026966497
   C  71    0.0463434342
   C  72   -0.0585013007
   C  73   -0.0585013007
   C  74    0.1002596097
   C  75    0.2339797087
   C  76    0.0463434350
   C  77   -0.0615004494
   C  78   -0.0615004494
   C  79   -0.0136071472
   C  80   -0.0617416996
   C  81   -0.0047691318
   C  82    0.2005343291
   H  83    0.0594492298
   H  84    0.0290281644
   H  85    0.0290281644
   H  86    0.0296175464
   H  87    0.0597696653
   H  88    0.0594824835
   H  89    0.1495069917
   H  90    0.0594921007
   H  91    0.0594824840
   H  92    0.1495073643
   H  93    0.0302891568
   H  94    0.0302891568
   H  95    0.0335875947
   H  96    0.0335875947
   H  97    0.0232340981
   H  98    0.0232340981
   H  99    0.0232340981
   H 100    0.0232340981
   H 101    0.0232340981
   H 102    0.0232340981
   H 103    0.0300011592
   H 104    0.0300011592
   H 105    0.0594824835
   H 106    0.1495178000
   H 107    0.0300011592
   H 108    0.0300011592
   H 109    0.1495073665
   H 110    0.0462585926
   H 111    0.0462585926
   H 112    0.0594824835
   H 113    0.0595153029
   H 114    0.1495075076
   H 115    0.1495073660
   H 116    0.0300011592
   H 117    0.0300011592
   H 118    0.0300011592
   H 119    0.0300011592
   H 120    0.0422500897
   H 121    0.0422500897
   H 122    0.1495078502
   H 123    0.1487336192
   H 124    0.0309908301
   H 125    0.0309908301
   H 126    0.0422500897
   H 127    0.0422500897
   H 128    0.1495073677
   H 129    0.0595155122
   H 130    0.0422500897
   H 131    0.0422500897
   H 132    0.0422500897
   H 133    0.0422500897
   H 134    0.0309908309
   H 135    0.0309908309
   H 136    0.0557682512
   H 137    0.0557682512
   H 138    0.0620296706
   H 139    0.0620296706
   H 140    0.1495078507
   H 141    0.1182142104
   H 142    0.1182142104
   H 143    0.1182142104
   H 144    0.1182142104
   H 145    0.0594733134
   H 146    0.0557682512
   H 147    0.0557682512
   H 148    0.0617664495
   H 149    0.0617664495
   H 150    0.1182142104
   H 151    0.1182142104
   H 152    0.0300010488
   H 153    0.0300010488
   H 154    0.1182142104
   H 155    0.1182142104
   H 156    0.0617583555
   H 157    0.2093964323
   H 158    0.0422500893
   H 159    0.0422500893
   H 160    0.1491916491
   H 161    0.2093964323
   H 162    0.1182142104
   H 163    0.1182142104
   H 164    0.1251293927
   H 165    0.2469411485
   H 166    0.2469411485


BOND ANGLES
  15    1   16   O3  So2   O3    179.974
  15    1   17   O3  So2   O2     90.000
  15    1   18   O3  So2   O2     90.000
  16    1   17   O3  So2   O2     90.000
  16    1   18   O3  So2   O2     90.000
  17    1   18   O2  So2   O2    179.974
  71   11  157   C3   O3   HO    120.001
  76   12  161   C3   O3   HO    119.993
   1   15  165  So2   O3   HO    120.002
   1   16  166  So2   O3   HO    119.998
  35   19   43   C3  Nam   C2    164.349
  35   19   89   C3  Nam   HC     97.828
  43   19   89   C2  Nam   HC     97.823
  39   20   40   C3  Nam   C2    164.342
  39   20   92   C3  Nam   HC     97.829
  40   20   92   C2  Nam   HC     97.829
  38   21   51   C3  Nam   C2    164.356
  38   21  106   C3  Nam   HC     97.822
  51   21  106   C2  Nam   HC     97.822
  42   22   52   C3  Nam   C2    164.349
  42   22  109   C3  Nam   HC     97.829
  52   22  109   C2  Nam   HC     97.822
  41   23   58   C3  Nam   C2    120.001
  41   23  114   C3  Nam   HC    119.998
  58   23  114   C2  Nam   HC    120.001
  49   24   53   C3  Nam   C2    164.353
  49   24  115   C3  Nam   HC     97.829
  53   24  115   C2  Nam   HC     97.819
  56   25   59   C3  Nam   C2    164.347
  56   25  122   C3  Nam   HC     97.819
  59   25  122   C2  Nam   HC     97.833
  54   26   64   C3  Nam   C2    164.350
  54   26  123   C3  Nam   HC     97.823
  64   26  123   C2  Nam   HC     97.827
  55   27   68   C3  Nam   C2    119.995
  55   27  128   C3  Nam   HC    120.009
  68   27  128   C2  Nam   HC    119.995
  66   28   75   C3  Nam   C2    120.005
  66   28  140   C3  Nam   HC    119.990
  75   28  140   C2  Nam   HC    120.006
  61   29  141   C3   N3   HC    119.994
  61   29  142   C3   N3   HC    120.002
 141   29  142   HC   N3   HC    120.005
  65   30  143   C3   N3   HC    119.986
  65   30  144   C3   N3   HC    120.004
 143   30  144   HC   N3   HC    120.010
  67   31  150   C3   N3   HC    119.998
  67   31  151   C3   N3   HC    119.995
 150   31  151   HC   N3   HC    120.006
  69   32  154   C3   N3   HC    120.010
  69   32  155   C3   N3   HC    119.997
 154   32  155   HC   N3   HC    119.993
  74   33   82   C3  Nam   C2    119.995
  74   33  160   C3  Nam   HC    119.998
  82   33  160   C2  Nam   HC    120.007
  81   34  162   C3   N3   HC    120.010
  81   34  163   C3   N3   HC    119.997
 162   34  163   HC   N3   HC    119.993
  19   35   36  Nam   C3   C3     97.822
  19   35   40  Nam   C3   C2    164.345
  19   35   83  Nam   C3   HC     48.909
  36   35   40   C3   C3   C2     97.833
  36   35   83   C3   C3   HC     48.913
  40   35   83   C2   C3   HC    146.747
  35   36   37   C3   C3   C3    120.009
  35   36   84   C3   C3   HC     80.002
  35   36   85   C3   C3   HC    159.990
  37   36   84   C3   C3   HC    159.989
  37   36   85   C3   C3   HC     80.001
  84   36   85   HC   C3   HC     79.988
  36   37   46   C3   C3   C3    120.004
  36   37   47   C3   C3   C3    119.994
  36   37   86   C3   C3   HC     59.991
  46   37   47   C3   C3   C3    120.002
  46   37   86   C3   C3   HC    179.974
  47   37   86   C3   C3   HC     60.004
  21   38   43  Nam   C3   C2    164.344
  21   38   45  Nam   C3   C3     97.830
  21   38   87  Nam   C3   HC     48.914
  43   38   45   C2   C3   C3     97.826
  43   38   87   C2   C3   HC    146.742
  45   38   87   C3   C3   HC     48.916
  20   39   48  Nam   C3   C3     97.824
  20   39   53  Nam   C3   C2    164.354
  20   39   88  Nam   C3   HC     48.910
  48   39   53   C3   C3   C2     97.822
  48   39   88   C3   C3   HC     48.914
  53   39   88   C2   C3   HC    146.736
   2   40   20   O2   C2  Nam     97.820
   2   40   35   O2   C2   C3     97.826
  20   40   35  Nam   C2   C3    164.354
  23   41   44  Nam   C3   C3     97.825
  23   41   52  Nam   C3   C2     97.832
  23   41   90  Nam   C3   HC     48.909
  44   41   52   C3   C3   C2    164.343
  44   41   90   C3   C3   HC     48.916
  52   41   90   C2   C3   HC    146.741
  22   42   50  Nam   C3   C3     97.826
  22   42   51  Nam   C3   C2    164.347
  22   42   91  Nam   C3   HC     48.912
  50   42   51   C3   C3   C2     97.827
  50   42   91   C3   C3   HC     48.914
  51   42   91   C2   C3   HC    146.741
   3   43   19   O2   C2  Nam     97.826
   3   43   38   O2   C2   C3     97.827
  19   43   38  Nam   C2   C3    164.347
  41   44   54   C3   C3   C3    164.354
  41   44   93   C3   C3   HC     65.217
  41   44   94   C3   C3   HC     82.177
  54   44   93   C3   C3   HC    130.430
  54   44   94   C3   C3   HC     82.177
  93   44   94   HC   C3   HC    147.394
  38   45   62   C3   C3  Car    119.996
  38   45   95   C3   C3   HC     79.997
  38   45   96   C3   C3   HC    160.006
  62   45   95  Car   C3   HC    160.007
  62   45   96  Car   C3   HC     79.998
  95   45   96   HC   C3   HC     80.009
  37   46  100   C3   C3   HC     90.005
  37   46  101   C3   C3   HC    179.974
  37   46  102   C3   C3   HC     90.003
 100   46  101   HC   C3   HC     90.000
 100   46  102   HC   C3   HC    179.974
 101   46  102   HC   C3   HC     89.992
  37   47   97   C3   C3   HC     89.997
  37   47   98   C3   C3   HC    179.974
  37   47   99   C3   C3   HC     89.998
  97   47   98   HC   C3   HC     90.005
  97   47   99   HC   C3   HC    179.974
  98   47   99   HC   C3   HC     90.000
  39   48   61   C3   C3   C3    119.997
  39   48  103   C3   C3   HC     79.998
  39   48  104   C3   C3   HC    159.998
  61   48  103   C3   C3   HC    160.004
  61   48  104   C3   C3   HC     80.005
 103   48  104   HC   C3   HC     79.999
  24   49   57  Nam   C3   C3     97.827
  24   49   59  Nam   C3   C2    164.347
  24   49  105  Nam   C3   HC     48.911
  57   49   59   C3   C3   C2     97.826
  57   49  105   C3   C3   HC     48.916
  59   49  105   C2   C3   HC    146.742
  42   50   65   C3   C3   C3    119.999
  42   50  107   C3   C3   HC     80.003
  42   50  108   C3   C3   HC    159.995
  65   50  107   C3   C3   HC    159.997
  65   50  108   C3   C3   HC     80.006
 107   50  108   HC   C3   HC     79.992
   4   51   21   O2   C2  Nam     97.830
   4   51   42   O2   C2   C3     97.826
  21   51   42  Nam   C2   C3    164.344
   5   52   22   O2   C2  Nam     97.825
   5   52   41   O2   C2   C3     97.825
  22   52   41  Nam   C2   C3    164.350
   6   53   24   O2   C2  Nam     97.826
   6   53   39   O2   C2   C3     97.833
  24   53   39  Nam   C2   C3    164.341
  26   54   44  Nam   C3   C3    164.343
  26   54  110  Nam   C3   HC    130.434
  26   54  111  Nam   C3   HC     82.170
  44   54  110   C3   C3   HC     65.223
  44   54  111   C3   C3   HC     82.173
 110   54  111   HC   C3   HC    147.396
  27   55   58  Nam   C3   C2    119.995
  27   55   60  Nam   C3   C3    119.999
  27   55  112  Nam   C3   HC     59.995
  58   55   60   C2   C3   C3    120.006
  58   55  112   C2   C3   HC     60.001
  60   55  112   C3   C3   HC    179.974
  25   56   63  Nam   C3   C3     97.826
  25   56   64  Nam   C3   C2    164.350
  25   56  113  Nam   C3   HC     48.916
  63   56   64   C3   C3   C2     97.824
  63   56  113   C3   C3   HC     48.910
  64   56  113   C2   C3   HC    146.734
  49   57   67   C3   C3   C3    120.002
  49   57  116   C3   C3   HC     80.000
  49   57  117   C3   C3   HC    159.998
  67   57  116   C3   C3   HC    159.999
  67   57  117   C3   C3   HC     80.000
 116   57  117   HC   C3   HC     79.998
   7   58   23   O2   C2  Nam    120.004
   7   58   55   O2   C2   C3    120.001
  23   58   55  Nam   C2   C3    119.995
   8   59   25   O2   C2  Nam     97.822
   8   59   49   O2   C2   C3     97.830
  25   59   49  Nam   C2   C3    164.347
  55   60   69   C3   C3   C3    120.007
  55   60  118   C3   C3   HC     79.997
  55   60  119   C3   C3   HC    159.988
  69   60  118   C3   C3   HC    159.995
  69   60  119   C3   C3   HC     80.004
 118   60  119   HC   C3   HC     79.991
  29   61   48   N3   C3   C3    119.997
  29   61  120   N3   C3   HC     79.995
  29   61  121   N3   C3   HC    159.998
  48   61  120   C3   C3   HC    160.008
  48   61  121   C3   C3   HC     80.005
 120   61  121   HC   C3   HC     80.003
  45   62   72   C3  Car  Car    120.004
  45   62   73   C3  Car  Car    119.996
  72   62   73  Car  Car  Car    120.000
  56   63   71   C3   C3   C3    120.000
  56   63  124   C3   C3   HC     80.004
  56   63  125   C3   C3   HC    159.994
  71   63  124   C3   C3   HC    159.996
  71   63  125   C3   C3   HC     80.005
 124   63  125   HC   C3   HC     79.991
   9   64   26   O2   C2  Nam     97.826
   9   64   56   O2   C2   C3     97.829
  26   64   56  Nam   C2   C3    164.345
  30   65   50   N3   C3   C3    119.991
  30   65  126   N3   C3   HC     80.002
  30   65  127   N3   C3   HC    160.014
  50   65  126   C3   C3   HC    160.006
  50   65  127   C3   C3   HC     79.995
 126   65  127   HC   C3   HC     80.011
  28   66   68  Nam   C3   C2    120.005
  28   66   70  Nam   C3   C3    119.999
  28   66  129  Nam   C3   HC     59.998
  68   66   70   C2   C3   C3    119.996
  68   66  129   C2   C3   HC    179.974
  70   66  129   C3   C3   HC     60.001
  31   67   57   N3   C3   C3    120.002
  31   67  130   N3   C3   HC     80.000
  31   67  131   N3   C3   HC    159.998
  57   67  130   C3   C3   HC    159.999
  57   67  131   C3   C3   HC     80.000
 130   67  131   HC   C3   HC     79.998
  10   68   27   O2   C2  Nam    120.006
  10   68   66   O2   C2   C3    119.994
  27   68   66  Nam   C2   C3    120.000
  32   69   60   N3   C3   C3    120.007
  32   69  132   N3   C3   HC     79.997
  32   69  133   N3   C3   HC    159.988
  60   69  132   C3   C3   HC    159.995
  60   69  133   C3   C3   HC     80.004
 132   69  133   HC   C3   HC     79.991
  66   70   76   C3   C3   C3    119.992
  66   70  134   C3   C3   HC    160.003
  66   70  135   C3   C3   HC     79.999
  76   70  134   C3   C3   HC     80.005
  76   70  135   C3   C3   HC    160.009
 134   70  135   HC   C3   HC     80.004
  11   71   63   O3   C3   C3    120.000
  11   71  136   O3   C3   HC     79.999
  11   71  137   O3   C3   HC    160.001
  63   71  136   C3   C3   HC    160.001
  63   71  137   C3   C3   HC     79.999
 136   71  137   HC   C3   HC     80.003
  62   72   77  Car  Car  Car    120.000
  62   72  138  Car  Car   HC    119.993
  77   72  138  Car  Car   HC    120.006
  62   73   78  Car  Car  Car    120.000
  62   73  139  Car  Car   HC    120.005
  78   73  139  Car  Car   HC    119.995
  33   74   75  Nam   C3   C2    120.001
  33   74   79  Nam   C3   C3    120.006
  33   74  145  Nam   C3   HC     60.001
  75   74   79   C2   C3   C3    119.993
  75   74  145   C2   C3   HC     60.000
  79   74  145   C3   C3   HC    179.974
  13   75   28   O2   C2  Nam    120.002
  13   75   74   O2   C2   C3    119.993
  28   75   74  Nam   C2   C3    120.005
  12   76   70   O3   C3   C3    119.992
  12   76  146   O3   C3   HC    160.003
  12   76  147   O3   C3   HC     79.999
  70   76  146   C3   C3   HC     80.005
  70   76  147   C3   C3   HC    160.009
 146   76  147   HC   C3   HC     80.004
  72   77   80  Car  Car  Car    120.000
  72   77  148  Car  Car   HC    120.002
  80   77  148  Car  Car   HC    119.998
  73   78   80  Car  Car  Car    120.000
  73   78  149  Car  Car   HC    120.000
  80   78  149  Car  Car   HC    120.000
  74   79   81   C3   C3   C3    119.993
  74   79  152   C3   C3   HC     79.997
  74   79  153   C3   C3   HC    160.005
  81   79  152   C3   C3   HC    160.010
  81   79  153   C3   C3   HC     80.002
 152   79  153   HC   C3   HC     80.008
  77   80   78  Car  Car  Car    120.000
  77   80  156  Car  Car   HC    120.001
  78   80  156  Car  Car   HC    119.999
  34   81   79   N3   C3   C3    120.000
  34   81  158   N3   C3   HC     79.997
  34   81  159   N3   C3   HC    159.998
  79   81  158   C3   C3   HC    160.002
  79   81  159   C3   C3   HC     80.002
 158   81  159   HC   C3   HC     80.000
  14   82   33   O2   C2  Nam    119.995
  14   82  164   O2   C2   HC    120.001
  33   82  164  Nam   C2   HC    120.004


TORSION ANGLES
  16    1   15  165    179.974
  17    1   15  165    179.974
  18    1   15  165      0.026
  15    1   16  166      0.026
  17    1   16  166      0.026
  18    1   16  166    179.974
 157   11   71   63    179.974
 157   11   71  136      0.026
 157   11   71  137      0.026
 161   12   76   70    179.974
 161   12   76  146      0.026
 161   12   76  147      0.026
  43   19   35   36    179.974
  43   19   35   40      0.026
  43   19   35   83    179.974
  89   19   35   36      0.026
  89   19   35   40    179.974
  89   19   35   83      0.026
  35   19   43    3    179.974
  35   19   43   38      0.026
  89   19   43    3      0.026
  89   19   43   38    179.974
  40   20   39   48    179.974
  40   20   39   53      0.026
  40   20   39   88    179.974
  92   20   39   48      0.026
  92   20   39   53    179.974
  92   20   39   88      0.026
  39   20   40    2    179.974
  39   20   40   35      0.026
  92   20   40    2      0.026
  92   20   40   35    179.974
  51   21   38   43      0.026
  51   21   38   45    179.974
  51   21   38   87    179.974
 106   21   38   43    179.974
 106   21   38   45      0.026
 106   21   38   87      0.026
  38   21   51    4    179.974
  38   21   51   42      0.026
 106   21   51    4      0.026
 106   21   51   42    179.974
  52   22   42   50    179.974
  52   22   42   51      0.026
  52   22   42   91    179.974
 109   22   42   50      0.026
 109   22   42   51    179.974
 109   22   42   91      0.026
  42   22   52    5    179.974
  42   22   52   41      0.026
 109   22   52    5      0.026
 109   22   52   41    179.974
  58   23   41   44      0.026
  58   23   41   52    179.974
  58   23   41   90      0.026
 114   23   41   44    179.974
 114   23   41   52      0.026
 114   23   41   90    179.974
  41   23   58    7      0.026
  41   23   58   55    179.974
 114   23   58    7    179.974
 114   23   58   55      0.026
  53   24   49   57    179.974
  53   24   49   59      0.026
  53   24   49  105    179.974
 115   24   49   57      0.026
 115   24   49   59    179.974
 115   24   49  105      0.026
  49   24   53    6    179.974
  49   24   53   39      0.026
 115   24   53    6      0.026
 115   24   53   39    179.974
  59   25   56   63    179.974
  59   25   56   64      0.026
  59   25   56  113    179.974
 122   25   56   63      0.026
 122   25   56   64    179.974
 122   25   56  113      0.026
  56   25   59    8    179.974
  56   25   59   49      0.026
 122   25   59    8      0.026
 122   25   59   49    179.974
  64   26   54   44      0.026
  64   26   54  110    179.974
  64   26   54  111      0.026
 123   26   54   44    179.974
 123   26   54  110      0.026
 123   26   54  111    179.974
  54   26   64    9    179.974
  54   26   64   56      0.026
 123   26   64    9      0.026
 123   26   64   56    179.974
  68   27   55   58    179.974
  68   27   55   60      0.026
  68   27   55  112    179.974
 128   27   55   58      0.026
 128   27   55   60    179.974
 128   27   55  112      0.026
  55   27   68   10      0.026
  55   27   68   66    179.974
 128   27   68   10    179.974
 128   27   68   66      0.026
  75   28   66   68    179.974
  75   28   66   70      0.026
  75   28   66  129      0.026
 140   28   66   68      0.026
 140   28   66   70    179.974
 140   28   66  129    179.974
  66   28   75   13      0.026
  66   28   75   74    179.974
 140   28   75   13    179.974
 140   28   75   74      0.026
 141   29   61   48    179.974
 141   29   61  120      0.026
 141   29   61  121      0.026
 142   29   61   48      0.026
 142   29   61  120    179.974
 142   29   61  121    179.974
 143   30   65   50    179.974
 143   30   65  126      0.026
 143   30   65  127      0.026
 144   30   65   50      0.026
 144   30   65  126    179.974
 144   30   65  127    179.974
 150   31   67   57    179.974
 150   31   67  130      0.026
 150   31   67  131      0.026
 151   31   67   57      0.026
 151   31   67  130    179.974
 151   31   67  131    179.974
 154   32   69   60    179.974
 154   32   69  132      0.026
 154   32   69  133      0.026
 155   32   69   60      0.026
 155   32   69  132    179.974
 155   32   69  133    179.974
  82   33   74   75    179.974
  82   33   74   79      0.026
  82   33   74  145    179.974
 160   33   74   75      0.026
 160   33   74   79    179.974
 160   33   74  145      0.026
  74   33   82   14    179.974
  74   33   82  164      0.026
 160   33   82   14      0.026
 160   33   82  164    179.974
 162   34   81   79    179.974
 162   34   81  158      0.026
 162   34   81  159      0.026
 163   34   81   79      0.026
 163   34   81  158    179.974
 163   34   81  159    179.974
  19   35   36   37      0.026
  19   35   36   84    179.974
  19   35   36   85    179.974
  40   35   36   37    179.974
  40   35   36   84      0.026
  40   35   36   85      0.026
  83   35   36   37      0.026
  83   35   36   84    179.974
  83   35   36   85    179.974
  19   35   40    2    179.974
  19   35   40   20      0.026
  36   35   40    2      0.026
  36   35   40   20    179.974
  83   35   40    2      0.026
  83   35   40   20    179.974
  35   36   37   46    179.974
  35   36   37   47      0.026
  35   36   37   86      0.026
  84   36   37   46      0.026
  84   36   37   47    179.974
  84   36   37   86    179.974
  85   36   37   46      0.026
  85   36   37   47    179.974
  85   36   37   86    179.974
  36   37   46  100      0.026
  36   37   46  101    179.974
  36   37   46  102    179.974
  47   37   46  100    179.974
  47   37   46  101      0.026
  47   37   46  102      0.026
  86   37   46  100      0.026
  86   37   46  101    179.974
  86   37   46  102    179.974
  36   37   47   97    179.974
  36   37   47   98      0.026
  36   37   47   99      0.026
  46   37   47   97      0.026
  46   37   47   98    179.974
  46   37   47   99    179.974
  86   37   47   97    179.974
  86   37   47   98      0.026
  86   37   47   99      0.026
  21   38   43    3    179.974
  21   38   43   19      0.026
  45   38   43    3      0.026
  45   38   43   19    179.974
  87   38   43    3      0.026
  87   38   43   19    179.974
  21   38   45   62      0.026
  21   38   45   95    179.974
  21   38   45   96    179.974
  43   38   45   62    179.974
  43   38   45   95      0.026
  43   38   45   96      0.026
  87   38   45   62      0.026
  87   38   45   95    179.974
  87   38   45   96    179.974
  20   39   48   61      0.026
  20   39   48  103    179.974
  20   39   48  104    179.974
  53   39   48   61    179.974
  53   39   48  103      0.026
  53   39   48  104      0.026
  88   39   48   61      0.026
  88   39   48  103    179.974
  88   39   48  104    179.974
  20   39   53    6    179.974
  20   39   53   24      0.026
  48   39   53    6      0.026
  48   39   53   24    179.974
  88   39   53    6      0.026
  88   39   53   24    179.974
  23   41   44   54    179.974
  23   41   44   93      0.026
  23   41   44   94    179.974
  52   41   44   54      0.026
  52   41   44   93    179.974
  52   41   44   94      0.026
  90   41   44   54    179.974
  90   41   44   93      0.026
  90   41   44   94    179.974
  23   41   52    5      0.026
  23   41   52   22    179.974
  44   41   52    5    179.974
  44   41   52   22      0.026
  90   41   52    5      0.026
  90   41   52   22    179.974
  22   42   50   65      0.026
  22   42   50  107    179.974
  22   42   50  108    179.974
  51   42   50   65    179.974
  51   42   50  107      0.026
  51   42   50  108      0.026
  91   42   50   65      0.026
  91   42   50  107    179.974
  91   42   50  108    179.974
  22   42   51    4    179.974
  22   42   51   21      0.026
  50   42   51    4      0.026
  50   42   51   21    179.974
  91   42   51    4      0.026
  91   42   51   21    179.974
  41   44   54   26      0.026
  41   44   54  110    179.974
  41   44   54  111      0.026
  93   44   54   26    179.974
  93   44   54  110      0.026
  93   44   54  111    179.974
  94   44   54   26      0.026
  94   44   54  110    179.974
  94   44   54  111      0.026
  38   45   62   72      0.026
  38   45   62   73    179.974
  95   45   62   72    179.974
  95   45   62   73      0.026
  96   45   62   72    179.974
  96   45   62   73      0.026
  39   48   61   29    179.974
  39   48   61  120      0.026
  39   48   61  121      0.026
 103   48   61   29      0.026
 103   48   61  120    179.974
 103   48   61  121    179.974
 104   48   61   29      0.026
 104   48   61  120    179.974
 104   48   61  121    179.974
  24   49   57   67      0.026
  24   49   57  116    179.974
  24   49   57  117    179.974
  59   49   57   67    179.974
  59   49   57  116      0.026
  59   49   57  117      0.026
 105   49   57   67      0.026
 105   49   57  116    179.974
 105   49   57  117    179.974
  24   49   59    8    179.974
  24   49   59   25      0.026
  57   49   59    8      0.026
  57   49   59   25    179.974
 105   49   59    8      0.026
 105   49   59   25    179.974
  42   50   65   30    179.974
  42   50   65  126      0.026
  42   50   65  127      0.026
 107   50   65   30      0.026
 107   50   65  126    179.974
 107   50   65  127    179.974
 108   50   65   30      0.026
 108   50   65  126    179.974
 108   50   65  127    179.974
  27   55   58    7      0.026
  27   55   58   23    179.974
  60   55   58    7    179.974
  60   55   58   23      0.026
 112   55   58    7      0.026
 112   55   58   23    179.974
  27   55   60   69      0.026
  27   55   60  118    179.974
  27   55   60  119    179.974
  58   55   60   69    179.974
  58   55   60  118      0.026
  58   55   60  119      0.026
 112   55   60   69      0.026
 112   55   60  118    179.974
 112   55   60  119    179.974
  25   56   63   71      0.026
  25   56   63  124    179.974
  25   56   63  125    179.974
  64   56   63   71    179.974
  64   56   63  124      0.026
  64   56   63  125      0.026
 113   56   63   71      0.026
 113   56   63  124    179.974
 113   56   63  125    179.974
  25   56   64    9    179.974
  25   56   64   26      0.026
  63   56   64    9      0.026
  63   56   64   26    179.974
 113   56   64    9      0.026
 113   56   64   26    179.974
  49   57   67   31    179.974
  49   57   67  130      0.026
  49   57   67  131      0.026
 116   57   67   31      0.026
 116   57   67  130    179.974
 116   57   67  131    179.974
 117   57   67   31      0.026
 117   57   67  130    179.974
 117   57   67  131    179.974
  55   60   69   32    179.974
  55   60   69  132      0.026
  55   60   69  133      0.026
 118   60   69   32      0.026
 118   60   69  132    179.974
 118   60   69  133    179.974
 119   60   69   32      0.026
 119   60   69  132    179.974
 119   60   69  133    179.974
  45   62   72   77    179.974
  45   62   72  138      0.026
  73   62   72   77      0.026
  73   62   72  138    179.974
  45   62   73   78    179.974
  45   62   73  139      0.026
  72   62   73   78      0.026
  72   62   73  139    179.974
  56   63   71   11    179.974
  56   63   71  136      0.026
  56   63   71  137      0.026
 124   63   71   11      0.026
 124   63   71  136    179.974
 124   63   71  137    179.974
 125   63   71   11      0.026
 125   63   71  136    179.974
 125   63   71  137    179.974
  28   66   68   10      0.026
  28   66   68   27    179.974
  70   66   68   10    179.974
  70   66   68   27      0.026
 129   66   68   10    179.974
 129   66   68   27      0.026
  28   66   70   76      0.026
  28   66   70  134    179.974
  28   66   70  135    179.974
  68   66   70   76    179.974
  68   66   70  134      0.026
  68   66   70  135      0.026
 129   66   70   76      0.026
 129   66   70  134    179.974
 129   66   70  135    179.974
  66   70   76   12    179.974
  66   70   76  146      0.026
  66   70   76  147      0.026
 134   70   76   12      0.026
 134   70   76  146    179.974
 134   70   76  147    179.974
 135   70   76   12      0.026
 135   70   76  146    179.974
 135   70   76  147    179.974
  62   72   77   80      0.026
  62   72   77  148    179.974
 138   72   77   80    179.974
 138   72   77  148      0.026
  62   73   78   80      0.026
  62   73   78  149    179.974
 139   73   78   80    179.974
 139   73   78  149      0.026
  33   74   75   13      0.026
  33   74   75   28    179.974
  79   74   75   13    179.974
  79   74   75   28      0.026
 145   74   75   13      0.026
 145   74   75   28    179.974
  33   74   79   81      0.026
  33   74   79  152    179.974
  33   74   79  153    179.974
  75   74   79   81    179.974
  75   74   79  152      0.026
  75   74   79  153      0.026
 145   74   79   81    179.974
 145   74   79  152      0.026
 145   74   79  153      0.026
  72   77   80   78      0.026
  72   77   80  156    179.974
 148   77   80   78    179.974
 148   77   80  156      0.026
  73   78   80   77      0.026
  73   78   80  156    179.974
 149   78   80   77    179.974
 149   78   80  156      0.026
  74   79   81   34    179.974
  74   79   81  158      0.026
  74   79   81  159      0.026
 152   79   81   34      0.026
 152   79   81  158    179.974
 152   79   81  159    179.974
 153   79   81   34      0.026
 153   79   81  158    179.974
 153   79   81  159    179.974


CHIRAL ATOMS
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974
 153   79   81  159    179.974