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(2R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-6-(octadecanoylamino)hexanoic acid
(2R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-6-(octadecanoylamino)hexanoic acid ID: AN-5700
CAS:78113-36-7
Supplier:AN PharmaTech Co Ltd

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SMILES:O1[C@@H]([C@@H](O)[C@H](O[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)O)C(=O)N)C)[C@@H](NC(=O)C)C1O)CO	5464314
FORMULA: C43H78N6O13
MASS: 887.1118
EXACT MASS: 886.5626866
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.0000     0.0000 
   O   3    2.6458     2.0000     0.0000 
   O   4    1.7320     3.4641     4.0000     0.0000 
   O   5    2.0000     4.3589     3.0000     3.6055     0.0000 
   O   6    2.6457     3.6055     4.5826     1.0000     4.5826     0.0000 
   O   7    5.0001     2.0000     3.4641     5.2915     6.2450     5.1962 
   O   8    6.9282     4.5826     4.3589     7.9372     7.2111     8.1853 
   O   9   11.7899    11.2694     9.6437    13.4536    10.5357    14.1775 
   O  10    9.8489     7.0000     7.5498    10.4403    10.5357    10.3923 
   O  11    8.8882     7.0000     6.2450    10.1489     8.6603    10.5357 
   O  12   12.1244    10.5357     9.5394    13.5278    11.5326    14.0000 
   O  13   12.4900    10.5357     9.8489    13.7477    12.1656    14.1068 
   N  14    2.6458     2.0000     3.4641     2.0000     4.5826     1.7321 
   N  15    5.2915     2.6458     3.0000     6.0828     6.0000     6.2450 
   N  16    7.9373     5.1962     5.5678     8.6603     8.5441     8.7178 
   N  17   10.1489     9.5394     7.9373    11.7899     9.0001    12.4900 
   N  18   10.5831     8.5441     7.9373    11.7899    10.3924    12.1244 
   N  19   10.4404     7.8103     7.9373    11.2695    10.8167    11.3579 
   C  20    2.0000     1.0000     1.7320     2.6458     3.4641     3.0000 
   C  21    1.7321     1.7320     2.6457     1.7321     3.6056     2.0000 
   C  22    1.7321     1.7320     1.0000     3.0000     2.6458     3.6056 
   C  23    1.0001     2.6457     1.7320     2.6458     1.7321     3.4641 
   C  24    1.0000     2.6458     3.0000     1.0000     3.0000     1.7320 
   C  25    1.7321     3.4641     2.0000     3.4641     1.0001     4.3589 
   C  26    3.6055     1.0000     1.7320     4.3589     4.5826     4.5826 
   C  27    3.0000     3.0000     4.3589     1.7320     5.0000     1.0000 
   C  28    3.4641     1.7320     1.0000     4.5826     4.0000     5.0000 
   C  29    4.5826     1.7321     2.6458     5.1962     5.5678     5.2915 
   C  30    4.0000     3.6056     5.1962     2.6457     6.0000     1.7320 
   C  31    6.2450     3.4641     4.0000     6.9282     7.0000     7.0000 
   C  32   14.1775    15.0997    13.1149    15.8745    12.2882    16.8226 
   C  33   14.4222    15.5242    13.5277    16.0935    12.4900    17.0587 
   C  34   13.2288    14.1067    12.1244    14.9332    11.3578    15.8745 
   C  35   15.3948    16.5227    14.5258    17.0587    13.4536    18.0277 
   C  36   13.0767    13.7477    11.7898    14.7987    11.2694    15.7162 
   C  37   15.7162    17.0000    15.0000    17.3494    13.7477    18.3303 
   C  38   12.1655    12.7672    10.8167    13.8925    10.3923    14.7987 
   C  39   16.7033    18.0000    16.0000    18.3303    14.7309    19.3132 
   C  40   12.1244    12.4900    10.5830    13.8564    10.4403    14.7309 
   C  41   17.0880    18.5203    16.5227    18.6815    15.0997    19.6723 
   C  42   11.2694    11.5326     9.6437    13.0000     9.6437    13.8564 
   C  43    7.0000     4.3589     4.5826     7.8102     7.5498     7.9372 
   C  44    6.5575     3.6055     4.5826     7.0000     7.5499     6.9282 
   C  45   18.0831    19.5192    17.5214    19.6723    16.0935    20.6640 
   C  46   11.3578    11.3578     9.5394    13.0767     9.8489    13.8924 
   C  47   18.5203    20.0749    18.0831    20.0749    16.5227    21.0713 
   C  48    8.7178     6.0828     6.2450     9.5394     9.1652     9.6437 
   C  49   10.5830    10.4403     8.6602    12.2882     9.1651    13.0767 
   C  50    8.6603     6.2450     6.0828     9.6437     8.8882     9.8489 
   C  51   19.5192    21.0713    19.0788    21.0713    17.5214    22.0681 
   C  52   10.5357     9.1651     8.0000    12.0000     9.8489    12.5300 
   C  53   10.1489     8.5440     7.5498    11.5326     9.6437    12.0000 
   C  54   10.0000     8.8882     7.5499    11.5326     9.1652    12.1244 
   C  55    9.5394     7.2111     6.9282    10.5830     9.6437    10.8166 
   C  56   10.8167     9.0001     8.1854    12.1244    10.4404    12.5300 
   C  57   10.8167    10.3923     8.7178    12.4900     9.5395    13.2288 
   C  58   10.5357     9.6437     8.1854    12.1244     9.5394    12.7672 
   C  59    9.6437     6.9282     7.2111    10.3923    10.1489    10.4403 
   C  60    9.6437     7.5498     7.0000    10.8166     9.5394    11.1355 
   C  61   20.0000    21.6564    19.6723    21.5174    18.0000    22.5167 
   C  62   11.7899    10.0000     9.1652    13.1149    11.3579    13.5278 
   H  63    2.3716     0.8743     1.2347     3.2380     3.5192     3.6200 
   H  64    1.8397     2.2901     3.2380     1.2347     3.8242     1.3800 
   H  65    2.2901     1.2347     0.8743     3.3533     3.2380     3.8242 
   H  66    0.8743     3.2380     2.2901     2.6008     1.2347     3.5191 
   H  67    1.8500     2.6216     3.5032     0.9341     3.8500     1.0828 
   H  68    2.0296     3.1021     1.4331     3.7220     1.5969     4.5429 
   H  69    2.3451     3.8917     2.1943     4.0761     1.0813     4.9779 
   H  70    3.1408     1.7732     3.5191     2.6200     5.0104     2.2901 
   H  71    3.0074     0.8743     1.2347     3.8787     3.9755     4.2029 
   H  72    2.8292     2.6200     0.6200     4.3433     2.7431     5.0104 
   H  73    1.8396     4.0130     4.3433     0.6200     3.4849     1.4158 
   H  74    4.0841     2.1114     1.5679     5.1724     4.5475     5.5456 
   H  75    3.5191     2.2901     0.8743     4.8212     3.7289     5.3371 
   H  76    2.8441     1.5200     0.5572     4.0019     3.4769     4.4738 
   H  77    2.6200     4.8708     3.3533     4.2100     0.6200     5.1927 
   H  78    4.0478     4.0751     5.5323     2.5121     6.0319     1.5200 
   H  79    4.6200     4.0601     5.7415     3.2380     6.6200     2.2901 
   H  80    4.0478     3.1879     4.9156     2.9083     6.0319     2.1114 
   H  81    5.2101     2.8292     2.7431     6.1648     5.7153     6.4222 
   H  82    6.1257     3.5191     3.7289     6.9559     6.7115     7.1151 
   H  83   14.2746    15.0754    13.1034    15.9844    12.4176    16.9199 
   H  84   14.7970    15.7034    13.7210    16.4944    12.9082    17.4422 
   H  85   14.3934    15.6098    13.6101    16.0448    12.4394    17.0191 
   H  86   13.8059    14.9317    12.9339    15.4754    11.8715    16.4415 
   H  87   13.1449    14.1522    12.1595    14.8342    11.2409    15.7883 
   H  88   12.6089    13.5032    11.5181    14.3132    10.7384    15.2546 
   H  89   15.4397    16.4587    14.4678    17.1207    13.5209    18.0804 
   H  90   16.0104    17.1166    15.1211    17.6762    14.0713    18.6444 
   H  91   13.2343    13.7713    11.8356    14.9626    11.4707    15.8639 
   H  92   13.6956    14.3602    12.4051    15.4170    11.8844    16.3356 
   H  93   15.7337    17.1186    15.1200    17.3440    13.7521    18.3312 
   H  94   15.1070    16.4188    14.4190    16.7364    13.1359    17.7184 
   H  95   12.0170    12.7634    10.7923    13.7359    10.1970    14.6591 
   H  96   11.5483    12.1539    10.2004    13.2758     9.7823    14.1804 
   H  97   16.7034    17.9027    15.9040    18.3504    14.7456    19.3267 
   H  98   17.3122    18.5838    16.5840    18.9427    15.3422    19.9247 
   H  99   12.3501    12.5710    10.6986    14.0805    10.7218    14.9347 
   H 100   12.7354    13.1086    11.2029    14.4674    11.0390    15.3451 
   H 101   17.1444    18.6662    16.6732    18.7135    15.1493    19.7082 
   H 102   16.4876    17.9498    15.9539    18.0756    14.4973    19.0673 
   H 103   11.0466    11.4684     9.5442    12.7786     9.3593    13.6568 
   H 104   10.6651    10.9132     9.0238    12.3947     9.0595    13.2463 
   H 105    5.9890     3.0148     4.1339     6.3870     7.0617     6.3082 
   H 106    6.8180     3.8242     5.0104     7.1151     7.9350     6.9559 
   H 107    7.1345     4.2047     5.0675     7.6142     8.0562     7.5482 
   H 108   18.0450    19.3940    17.3942    19.6560    16.0640    20.6432 
   H 109   18.6840    20.0932    18.0944    20.2783    16.6962    21.2691 
   H 110   11.6579    11.5070     9.7386    13.3656    10.2146    14.1572 
   H 111   11.9503    11.9773    10.1551    13.6720    10.4154    14.4945 
   H 112   18.6095    20.2437    18.2586    20.1390    16.6097    21.1375 
   H 113   17.9293    19.5145    17.5256    19.4768    15.9308    20.4739 
   H 114    8.8105     6.0634     6.4222     9.5271     9.3864     9.5669 
   H 115    8.0775     5.2331     5.8194     8.6825     8.8162     8.6686 
   H 116   10.2785    10.3026     8.4683    11.9964     8.7873    12.8113 
   H 117   10.0063     9.8224     8.0504    11.7051     8.6288    12.4838 
   H 118    8.4683     6.2097     5.8507     9.5442     8.5663     9.8111 
   H 119    8.0504     5.6266     5.4854     9.0238     8.3211     9.2311 
   H 120   19.4484    20.9224    18.9256    21.0232    17.4549    22.0173 
   H 121   20.1115    21.6361    19.6415    21.6700    18.1147    22.6661 
   H 122   11.0476     9.5683     8.4843    12.4813    10.4154    12.9834 
   H 123   10.9850     9.7116     8.4843    12.4813    10.2146    13.0365 
   H 124    9.6180     8.1241     7.0406    11.0350     9.0595    11.5319 
   H 125    9.7605     8.0387     7.1380    11.0974     9.3594    11.5320 
   H 126    9.5334     8.5663     7.1380    11.0974     8.6288    11.7204 
   H 127    9.5334     8.3210     7.0406    11.0349     8.7873    11.6019 
   H 128   10.2159     8.3800     7.5805    11.5111     9.8795    11.9115 
   H 129    9.7388     7.2796     7.1640    10.6987     9.9586    10.8764 
   H 130   10.1551     7.8279     7.5396    11.2030    10.2321    11.4334 
   H 131   10.9849     9.9585     8.5792    12.5460    10.0548    13.1601 
   H 132   11.0476    10.2321     8.7387    12.6556     9.9860    13.3165 
   H 133    9.5386     8.9913     7.3542    11.1859     8.3800    11.8955 
   H 134   11.0592     8.9210     8.4158    12.2191    10.9337    12.5174 
   H 135   20.5392    22.1554    20.1671    22.0683    18.5395    23.0669 
   H 136   20.3171    22.0342    20.0565    21.8125    18.3179    22.8124 
   H 137   19.4656    21.1639    19.1848    20.9705    17.4659    21.9701 
   H 138   11.0075     8.3334     8.5255    11.7968    11.4195    11.8552 
   H 139   10.3993     7.8744     7.8438    11.3140    10.6614    11.4563 
   H 140   12.7383    11.1537    10.1570    14.1465    12.1254    14.6200 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    3.6055     0.0000 
   O   9   11.3578     8.1854     0.0000 
   O  10    5.1961     3.6056    10.5357     0.0000 
   O  11    6.2450     2.6458     6.0000     4.5826     0.0000 
   O  12    9.8489     6.2450     4.3589     7.2111     3.6056     0.0000 
   O  13    9.5394     6.0000     6.0828     6.0828     3.6055     1.7320 
   N  14    3.4641     6.5574    13.0767     8.6602     9.0000    12.5300 
   N  15    1.7320     2.0000     9.6437     4.5826     4.5826     8.1854 
   N  16    3.6055     1.7321     9.5394     2.0000     3.6055     6.9282 
   N  17    9.6437     6.5574     1.7320     9.1651     4.5826     4.0000 
   N  18    7.5499     4.0001     6.2450     4.5826     1.7321     2.6457 
   N  19    6.2450     3.6056     9.1652     1.7321     3.4641     5.5678 
   C  20    3.0000     5.2915    11.3578     7.9372     7.5498    11.0000 
   C  21    3.6055     6.2449    12.2882     8.7177     8.5440    12.0000 
   C  22    3.6056     5.1961    10.5830     8.1853     7.2111    10.5357 
   C  23    4.5826     6.0827    10.8166     9.1651     7.9372    11.1355 
   C  24    4.5826     7.0000    12.4900     9.6437     9.1652    12.5300 
   C  25    5.2915     6.2449    10.1489     9.5393     7.8102    10.8166 
   C  26    1.7321     3.6055    10.3923     6.2450     6.0000     9.5395 
   C  27    4.3590     7.5498    14.0000     9.5394    10.0000    13.5278 
   C  28    2.6458     3.4641     9.5394     6.5575     5.5678     9.0001 
   C  29    1.0000     2.9999    10.4403     5.2915     5.5677     9.1651 
   C  30    4.5826     8.0000    14.7987     9.6437    10.5357    14.1068 
   C  31    2.0000     1.7320     9.8489     3.6055     4.3589     7.9373 
   C  32   16.0000    13.7477     7.0000    16.8226    12.2882    11.3578 
   C  33   16.5227    14.4222     7.9373    17.5784    13.0767    12.2883 
   C  34   15.0000    12.7671     6.2450    15.8745    11.3578    10.5830 
   C  35   17.5214    15.3948     8.7178    18.5203    14.0000    13.0767 
   C  36   14.5258    12.1243     5.2915    15.1327    10.5830     9.6437 
   C  37   18.0831    16.0935     9.6437    19.2873    14.7987    14.0000 
   C  38   13.5277    11.1355     4.5826    14.1774     9.6437     8.8882 
   C  39   19.0788    17.0587    10.4403    20.2237    15.7162    14.7987 
   C  40   13.1149    10.5357     3.6056    13.4536     8.8882     7.9373 
   C  41   19.6723    17.7764    11.3578    21.0000    16.5227    15.7162 
   C  42   12.1243     9.5394     3.0000    12.4900     7.9373     7.2111 
   C  43    2.9999     1.0000     9.1652     3.0000     3.4641     7.0000 
   C  44    1.7320     2.6457    10.8167     3.4641     5.1962     8.7178 
   C  45   20.6640    18.7350    12.1655    21.9317    17.4356    16.5227 
   C  46   11.7898     9.0000     2.0000    11.7898     7.2111     6.2450 
   C  47   21.2838    19.4679    13.0767    22.7156    18.2483    17.4356 
   C  48    4.5826     2.0000     9.0000     1.7320     3.0000     6.0828 
   C  49   10.8166     8.0000     1.7321    10.8167     6.2450     5.5678 
   C  50    5.0000     1.7321     8.0000     2.6457     2.0000     5.1962 
   C  51   22.2711    20.4206    13.8924    23.6432    19.1572    18.2483 
   C  52    8.7178     5.1962     3.6055     7.0000     2.6457     1.7321 
   C  53    7.9372     4.3589     4.5826     6.0000     1.7320     2.0000 
   C  54    8.6602     5.2915     3.0000     7.5498     3.0000     2.6458 
   C  55    6.0000     2.6458     7.5498     3.0000     1.7320     4.3589 
   C  56    8.1854     4.5827     5.2915     5.5678     2.0000     1.7320 
   C  57   10.5830     7.5498     1.0000    10.1489     5.5678     4.5826 
   C  58    9.5394     6.2450     2.0000     8.5440     4.0000     3.0000 
   C  59    5.2915     3.0000     9.5394     1.0000     3.6055     6.2450 
   C  60    6.5574     3.0000     6.5574     4.0000     1.0000     3.4641 
   C  61   22.9129    21.1660    14.7987    24.4336    19.9750    19.1573 
   C  62    9.1651     5.5678     5.1962     6.2450     3.0000     1.0000 
   H  63    2.7431     4.7100    10.7873     7.4796     6.9343    10.3800 
   H  64    4.0602     6.8428    12.8703     9.2230     9.1611    12.6201 
   H  65    3.0074     4.6695    10.4835     7.5805     6.7959    10.1954 
   H  66    5.1928     6.6486    11.0048     9.7747     8.4158    11.5354 
   H  67    4.3787     7.1709    13.1158     9.5484     9.4775    12.9257 
   H  68    4.8262     5.6265     9.7604     8.9413     7.2093    10.2635 
   H  69    5.6193     6.2097     9.6180     9.6111     7.5826    10.4634 
   H  70    2.9436     6.1987    13.0202     8.1292     8.7066    12.2705 
   H  71    2.2901     4.0601    10.4108     6.8428     6.3328     9.8155 
   H  72    4.0131     4.4726     9.1698     7.8169     6.1257     9.2965 
   H  73    5.8809     8.4157    13.6281    11.0074    10.5567    13.8811 
   H  74    2.5121     2.8441     9.2164     5.9890     4.9942     8.4688 
   H  75    3.2380     3.5191     9.0258     6.8180     5.3763     8.7066 
   H  76    2.9083     4.0841     9.8908     7.1345     6.1505     9.5420 
   H  77    6.7056     7.4070    10.1954    10.8150     8.6825    11.4143 
   H  78    5.1725     8.5426    15.1698    10.2566    11.0510    14.6064 
   H  79    4.8213     8.3273    15.3057     9.7593    10.9007    14.4888 
   H  80    4.0019     7.4695    14.4446     9.0317    10.0323    13.6171 
   H  81    2.2901     1.7732     9.0678     4.8212     4.2029     7.7823 
   H  82    2.3715     1.2346     9.2523     3.8242     3.8787     7.4796 
   H  83   15.9040    13.5390     6.5507    16.5406    11.9841    10.9080 
   H  84   16.5840    14.2833     7.3455    17.3154    12.7651    11.7019 
   H  85   16.6732    14.6843     8.4274    17.8981    13.4281    12.7651 
   H  86   15.9539    13.9119     7.6549    17.1093    12.6335    11.9842 
   H  87   15.1200    13.0096     6.7558    16.1852    11.7019    11.0711 
   H  88   14.4190    12.2442     5.9981    15.3984    10.9081    10.2957 
   H  89   17.3942    15.1632     8.2784    18.2267    13.6835    12.6335 
   H  90   18.0944    15.9183     9.0740    19.0054    14.4682    13.4281 
   H  91   14.4678    11.9451     4.8262    14.8652    10.2956     9.1851 
   H  92   15.1211    12.6741     5.6193    15.6347    11.0710     9.9776 
   H  93   18.2586    16.3710    10.1195    19.6143    15.1557    14.4683 
   H  94   17.5256    15.5936     9.3390    18.8241    14.3605    13.6836 
   H  95   13.6101    11.3520     5.1245    14.4769     9.9776     9.3908 
   H  96   12.9339    10.5973     4.3998    13.6927     9.1852     8.6245 
   H  97   18.9256    16.8090    10.0075    19.9206    15.3902    14.3605 
   H  98   19.6415    17.5719    10.8036    20.7023    16.1774    15.1557 
   H  99   13.1034    10.3954     3.1102    13.2043     8.6244     7.4664 
   H 100   13.7210    11.1019     3.8981    13.9665     9.3908     8.2566 
   H 101   19.8685    18.0663    11.8230    21.3331    16.8842    16.1775 
   H 102   19.1250    17.2852    11.0380    20.5419    16.0887    15.3903 
   H 103   12.1595     9.7205     3.5889    12.7750     8.2567     7.7335 
   H 104   11.5181     8.9823     2.9561    11.9946     7.4664     6.9830 
   H 105    1.1120     2.9083    10.9821     4.0841     5.5323     9.1010 
   H 106    1.8396     3.2380    11.4195     3.5191     5.7415     9.2231 
   H 107    2.3520     2.5121    10.6847     2.8441     4.9156     8.3631 
   H 108   20.4889    18.4705    11.7375    21.6206    17.1020    16.0886 
   H 109   21.2172    19.2394    12.5339    22.4046    17.8911    16.8842 
   H 110   11.8355     8.9132     1.4332    11.5644     6.9829     5.7557 
   H 111   12.4051     9.5849     2.1943    12.3159     7.7334     6.5415 
   H 112   21.4974    19.7679    13.5338    23.0539    18.6133    17.8911 
   H 113   20.7457    18.9842    12.7458    22.2618    17.8175    17.1020 
   H 114    4.4186     2.3716     9.6200     1.2346     3.6200     6.6486 
   H 115    3.4849     2.2901    10.1570     1.7732     4.2100     7.4716 
   H 116   10.7923     8.1307     2.3451    11.0823     6.5415     6.1177 
   H 117   10.2004     7.4204     2.0295    10.3078     5.7557     5.3984 
   H 118    5.1440     1.6278     7.4204     3.2657     1.4332     4.8211 
   H 119    4.4224     1.1267     8.1307     2.8113     2.1944     5.6149 
   H 120   22.0775    20.1440    13.4681    23.3253    18.8174    17.8175 
   H 121   22.8156    20.9173    14.2646    24.1111    19.6079    18.6133 
   H 122    9.0123     5.4395     3.8982     6.9193     2.8113     1.1267 
   H 123    9.3137     5.8078     3.1102     7.5856     3.2657     1.6278 
   H 124    7.6375     4.1189     4.3997     6.1381     1.6279     2.5069 
   H 125    7.3614     3.7689     5.1245     5.4215     1.1266     2.5068 
   H 126    8.4683     5.2294     2.9561     7.7497     3.1671     3.2657 
   H 127    8.0504     4.6716     3.5889     7.0009     2.4267     2.8114 
   H 128    7.5805     3.9755     5.4428     5.2004     1.3800     2.2901 
   H 129    5.9239     2.8114     8.1542     2.4267     2.3451     4.8281 
   H 130    6.5860     3.2657     7.5383     3.1671     2.0295     4.0506 
   H 131    9.7386     6.3409     2.1944     8.3962     3.9399     2.4267 
   H 132   10.1551     6.8637     1.4332     9.1061     4.5875     3.1671 
   H 133    9.1697     6.1987     2.2901     8.9813     4.4187     4.3434 
   H 134    7.8169     4.3434     6.7056     4.4187     2.2901     2.8292 
   H 135   23.3851    21.5770    15.0632    24.8121    20.3309    19.4178 
   H 136   23.3235    21.6385    15.3663    24.9312    20.4901    19.7252 
   H 137   22.4479    20.7654    14.5557    24.0651    19.6323    18.9135 
   H 138    6.7055     4.2101     9.5825     1.8397     4.0130     5.8193 
   H 139    6.4222     3.4850     8.5571     2.2901     2.9436     4.9562 
   H 140   10.4481     6.8429     4.4726     7.6540     4.2100     0.6200 

              O  13      N  14      N  15      N  16      N  17      N  18
              ------------------------------------------------------------------
   O  13    0.0000 
   N  14   12.5299     0.0000 
   N  15    8.0000     4.5826     0.0000 
   N  16    6.2450     7.0000     2.6458     0.0000 
   N  17    5.5677    11.3578     7.9373     8.0000     0.0000 
   N  18    2.0000    10.5357     6.0000     4.3589     5.1962     0.0000 
   N  19    4.3589     9.6437     5.1962     2.6458     7.9373     3.0000 
   C  20   11.1355     1.7320     3.4641     6.0828     9.6437     9.1652 
   C  21   12.1243     1.0000     4.3589     6.9282    10.5830    10.1489 
   C  22   10.8166     2.6457     3.6055     6.2450     8.8882     8.8882 
   C  23   11.5325     3.0000     4.5826     7.2111     9.1651     9.6437 
   C  24   12.7672     1.7321     5.1962     7.8103    10.8167    10.8167 
   C  25   11.3578     4.0000     5.0000     7.5498     8.5440     9.5394 
   C  26    9.5394     2.9999     1.7321     4.3590     8.6603     7.5499 
   C  27   13.5278     1.0001     5.5678     7.9373    12.2883    11.5326 
   C  28    9.1652     3.6055     2.0000     4.5826     7.8103     7.2112 
   C  29    9.0000     3.6055     1.0000     3.4641     8.7178     7.0000 
   C  30   14.0000     1.7321     6.0000     8.1854    13.0767    12.0001 
   C  31    7.5499     5.2915     1.0000     1.7321     8.1854     5.5678 
   C  32   13.0767    16.3707    14.5258    15.3948     7.8102    13.0000 
   C  33   14.0000    16.7033    15.0997    16.0935     8.6603    13.8565 
   C  34   12.2882    15.3948    13.5277    14.4222     6.9282    12.1244 
   C  35   14.7987    17.6918    16.0935    17.0587     9.5394    14.7310 
   C  36   11.3578    15.1327    13.0000    13.7477     6.0828    11.2694 
   C  37   15.7162    18.0831    16.7033    17.7764    10.3923    15.5885 
   C  38   10.5830    14.1774    12.0000    12.7672     5.1962    10.3923 
   C  39   16.5227    19.0788    17.6918    18.7350    11.2694    16.4621 
   C  40    9.6437    14.0000    11.5326    12.1244     4.3589     9.5394 
   C  41   17.4356    19.5192    18.3303    19.4679    12.1244    17.3205 
   C  42    8.8882    13.0767    10.5357    11.1355     3.4641     8.6603 
   C  43    6.5575     6.2449     1.7320     1.0001     7.5498     4.5827 
   C  44    8.1854     5.1961     1.7320     2.0000     9.1652     6.2450 
   C  45   18.2483    20.5183    19.3132    20.4206    13.0000    18.1934 
   C  46    7.9373    13.0000    10.1489    10.5357     2.6458     7.8103 
   C  47   19.1572    21.0000    19.9750    21.1660    13.8564    19.0526 
   C  48    5.2915     7.9372     3.4641     1.0000     7.5498     3.4641 
   C  49    7.2111    12.1243     9.1651     9.5394     1.7321     6.9283 
   C  50    4.5826     8.1853     3.6055     1.7320     6.5574     2.6458 
   C  51   19.9750    22.0000    20.9523    22.1133    14.7309    19.9249 
   C  52    3.0000    11.1355     7.0000     6.2450     2.6457     2.6458 
   C  53    2.6458    10.5356     6.2450     5.2915     3.4641     1.7321 
   C  54    4.0000    10.8166     6.9282     6.5574     1.7320     3.4641 
   C  55    3.6056     9.1651     4.5826     2.6457     6.2450     1.7321 
   C  56    1.7320    11.0000     6.5575     5.1962     4.3589     1.0000 
   C  57    6.2450    12.1655     8.8882     9.0000     1.0000     6.0828 
   C  58    4.5826    11.5325     7.8102     7.5498     1.0000     4.3589 
   C  59    5.1962     8.7177     4.3589     1.7320     8.1853     3.6056 
   C  60    3.0000     9.5393     5.0000     3.4641     5.2915     1.0001 
   C  61   20.8806    22.5167    21.6333    22.8692    15.5885    20.7847 
   C  62    1.0000    12.0000     7.5499     6.0828     4.5826     1.7320 
   H  63   10.5235     2.2900     2.9436     5.5844     9.0678     8.5572 
   H  64   12.7383     0.8743     4.9340     7.4716    11.1707    10.7604 
   H  65   10.3964     2.6008     3.0074     5.6520     8.7696     8.4455 
   H  66   11.9969     3.3533     5.1928     7.8144     9.3864    10.1334 
   H  67   13.0585     1.0829     5.2653     7.8022    11.4225    11.0826 
   H  68   10.7684     3.9399     4.4224     6.9482     8.1241     8.9364 
   H  69   11.0843     4.5875     5.1440     7.6120     8.0387     9.3147 
   H  70   12.1944     0.6200     4.2029     6.5242    11.2927    10.1954 
   H  71    9.9098     2.7430     2.2901     4.9340     8.6824     7.9351 
   H  72    9.7100     4.0130     3.3533     5.8194     7.4796     7.8438 
   H  73   14.1614     2.6200     6.6018     9.2024    11.9885    12.2191 
   H  74    8.5817     4.0750     1.4956     4.0019     7.4844     6.6178 
   H  75    8.9814     4.0600     2.3716     4.8213     7.3024     7.0644 
   H  76    9.7532     3.1879     2.5559     5.1725     8.1703     7.8088 
   H  77   12.1304     5.1927     6.3328     8.8162     8.7066    10.4109 
   H  78   14.5403     2.1115     6.5443     8.7778    13.4555    12.5409 
   H  79   14.3201     2.2901     6.3328     8.3956    13.5796    12.3218 
   H  80   13.4667     1.5201     5.4719     7.5974    12.7169    11.4673 
   H  81    7.7087     4.8212     0.6200     2.8292     7.3542     5.7153 
   H  82    7.1975     5.4428     0.8743     1.8397     7.5805     5.2005 
   H  83   12.6334    16.4064    14.3946    15.1632     7.4596    12.6295 
   H  84   13.4281    16.9852    15.0968    15.9183     8.2506    13.4244 
   H  85   14.4682    16.7262    15.2882    16.3710     9.0713    14.2629 
   H  86   13.6836    16.0952    14.5479    15.5936     8.2754    13.4663 
   H  87   12.7651    15.3748    13.6876    14.6844     7.3422    12.5319 
   H  88   11.9842    14.7796    12.9623    13.9119     6.5470    11.7355 
   H  89   14.3605    17.6858    15.9318    16.8090     9.1797    14.3570 
   H  90   15.1557    18.2996    16.6521    17.5720     9.9726    15.1524 
   H  91   10.9080    15.2167    12.9068    13.5390     5.7469    10.9035 
   H  92   11.7019    15.7517    13.5843    14.2833     6.5339    11.6976 
   H  93   16.1775    18.1424    16.9148    18.0663    10.8013    15.9941 
   H  94   15.3902    17.4836    16.1635    17.2852    10.0051    15.1974 
   H  95   11.0711    14.1069    12.1231    13.0096     5.6149    10.8013 
   H  96   10.2957    13.5579    11.4194    12.2442     4.8211    10.0051 
   H  97   16.0886    19.0370    17.5055    18.4706    10.9035    16.0855 
   H  98   16.8841    19.6789    18.2393    19.2394    11.6975    16.8812 
   H  99    9.1851    14.1396    11.4876    11.9451     4.0506     9.1797 
   H 100    9.9776    14.6197    12.1306    12.6741     4.8281     9.9726 
   H 101   17.8911    19.6094    18.5605    19.7680    12.5319    17.7255 
   H 102   17.1020    18.9287    17.8011    18.9842    11.7355    16.9287 
   H 103    9.3908    12.9469    10.6108    11.3521     3.8918     9.0713 
   H 104    8.6245    12.4579     9.9389    10.5973     3.1022     8.2754 
   H 105    8.6546     4.5761     1.5200     2.5559     9.3023     6.6899 
   H 106    8.6142     5.2330     2.2901     2.3716     9.7747     6.7056 
   H 107    7.7374     5.8161     2.1114     1.4956     9.0684     5.8323 
   H 108   17.8175    20.4457    19.1066    20.1440    12.6295    17.8147 
   H 109   18.6133    21.1101    19.8508    20.9174    13.4244    18.6107 
   H 110    7.4664    13.2026    10.1659    10.3954     2.4059     7.4597 
   H 111    8.2566    13.6145    10.7597    11.1019     3.1512     8.2506 
   H 112   19.6079    21.1165    20.2206    21.4745    14.2629    19.4569 
   H 113   18.8175    20.4185    19.4551    20.6886    13.4663    18.6601 
   H 114    5.7745     7.8437     3.5191     0.8743     8.1660     4.0131 
   H 115    6.7055     6.9386     2.8292     0.6200     8.6200     4.8708 
   H 116    7.7335    11.9266     9.1765     9.7205     2.1829     7.3422 
   H 117    6.9830    11.5143     8.5535     8.9823     1.4156     6.5470 
   H 118    4.3998     8.1848     3.6166     2.1828     5.9534     2.4060 
   H 119    5.1245     7.5715     2.9898     1.4155     6.6126     3.1513 
   H 120   19.5469    21.9008    20.7287    21.8266    14.3570    19.5444 
   H 121   20.3430    22.5836    21.4810    22.6035    15.1524    20.3405 
   H 122    2.4267    11.5521     7.3135     6.3409     3.1512     2.4059 
   H 123    3.1671    11.6711     7.5914     6.8637     2.4059     3.1512 
   H 124    3.2657    10.1045     5.9216     5.2294     3.1021     2.1830 
   H 125    2.8113    10.0360     5.6837     4.6716     3.8917     1.4156 
   H 126    4.5875    10.4633     6.7414     6.6126     1.4155     3.8918 
   H 127    3.9400    10.2635     6.3185     5.9534     2.1828     3.1022 
   H 128    2.2901    10.3800     5.9434     4.6695     4.3318     0.8743 
   H 129    3.8981     9.1957     4.6339     2.4059     6.8637     2.1829 
   H 130    3.1102     9.7778     5.1957     3.1512     6.3409     1.4155 
   H 131    4.0630    11.8773     8.0067     7.5383     1.5968     4.0506 
   H 132    4.8384    12.1076     8.4268     8.1542     1.0813     4.8281 
   H 133    5.8193    10.7872     7.4796     7.7087     0.6201     5.2331 
   H 134    1.7732    10.9006     6.3328     4.4726     5.7415     0.6200 
   H 135   21.1453    23.0436    22.0842    23.2732    15.9075    21.1015 
   H 136   21.4463    22.8531    22.0677    23.3471    16.1284    21.3238 
   H 137   20.6312    21.9946    21.1910    22.4751    15.2880    20.4817 
   H 138    4.4726    10.1333     5.7415     3.1408     8.4157     3.3533 
   H 139    3.7979     9.7593     5.2331     2.8292     7.3542     2.3800 
   H 140    1.8397    13.1485     8.7923     7.4716     4.3433     3.1407 

              N  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   N  19    0.0000 
   C  20    8.6603     0.0000 
   C  21    9.5394     1.0000     0.0000 
   C  22    8.7178     1.0000     1.7320     0.0000 
   C  23    9.6437     1.7320     2.0000     1.0000     0.0000 
   C  24   10.3924     1.7321     1.0001     2.0000     1.7321     0.0000 
   C  25    9.8489     2.6457     3.0000     1.7320     1.0000     2.6458 
   C  26    6.9283     1.7320     2.6457     2.0000     2.9999     3.4641 
   C  27   10.5831     2.6458     1.7321     3.4641     3.6056     2.0000 
   C  28    7.0001     2.0000     2.9999     1.7320     2.6457     3.6055 
   C  29    6.0828     2.6458     3.4641     3.0000     4.0000     4.3590 
   C  30   10.8167     3.4641     2.6458     4.3589     4.5826     3.0000 
   C  31    4.3590     4.3589     5.1961     4.5826     5.5677     6.0828 
   C  32   15.7162    14.7309    15.3948    13.7477    13.4536    15.1328 
   C  33   16.5228    15.0997    15.7162    14.1067    13.7477    15.3948 
   C  34   14.7987    13.7477    14.4222    12.7672    12.4900    14.1775 
   C  35   17.4356    16.0935    16.7033    15.0997    14.7309    16.3707 
   C  36   14.0000    13.4536    14.1774    12.4900    12.2882    14.0000 
   C  37   18.2483    16.5227    17.0880    15.5242    15.0997    16.7033 
   C  38   13.0767    12.4900    13.2287    11.5326    11.3578    13.0767 
   C  39   19.1573    17.5214    18.0831    16.5227    16.0935    17.6918 
   C  40   12.2882    12.2882    13.0767    11.3578    11.2694    13.0000 
   C  41   19.9750    18.0000    18.5203    17.0000    16.5227    18.0831 
   C  42   11.3578    11.3578    12.1655    10.4403    10.3923    12.1244 
   C  43    3.4642     5.1961     6.0827     5.2915     6.2449     6.9282 
   C  44    4.5826     4.5826     5.2915     5.0000     6.0000     6.2450 
   C  45   20.8806    19.0000    19.5192    18.0000    17.5214    19.0788 
   C  46   10.5830    11.2694    12.1243    10.3923    10.4403    12.1655 
   C  47   21.7025    19.5192    20.0000    18.5203    18.0000    19.5192 
   C  48    1.7321     6.9282     7.8102     7.0000     7.9372     8.6603 
   C  49    9.6437    10.3923    11.2694     9.5394     9.6436    11.3578 
   C  50    2.0000     7.0000     7.9372     6.9282     7.8102     8.7178 
   C  51   22.6053    20.5183    21.0000    19.5192    19.0000    20.5183 
   C  52    5.5678     9.5394    10.5356     9.0000     9.5393    11.0000 
   C  53    4.5826     9.0000    10.0000     8.5440     9.1651    10.5357 
   C  54    6.2450     9.1651    10.1489     8.5440     9.0000    10.5357 
   C  55    1.7321     7.9372     8.8881     7.8102     8.6602     9.6437 
   C  56    4.0000     9.5394    10.5357     9.1652     9.8489    11.1356 
   C  57    8.8882    10.4403    11.3578     9.6437     9.8489    11.5326 
   C  58    7.2111     9.8489    10.8166     9.1651     9.5394    11.1356 
   C  59    1.0001     7.8102     8.6602     7.9372     8.8881     9.5394 
   C  60    2.6458     8.1853     9.1651     7.9372     8.7177     9.8489 
   C  61   23.4308    21.0713    21.5174    20.0749    19.5192    21.0000 
   C  62    4.5826    10.5357    11.5326    10.1489    10.8166    12.1244 
   H  63    8.1293     0.6200     1.6199     0.8743     1.8396     2.2901 
   H  64   10.0958     1.6200     0.6201     2.2901     2.3716     0.8743 
   H  65    8.1527     0.8743     1.8396     0.6200     1.6199     2.3716 
   H  66   10.2248     2.2901     2.3716     1.6200     0.6201     1.8397 
   H  67   10.4271     1.9294     0.9341     2.5343     2.5045     0.8500 
   H  68    9.2311     2.4059     2.9561     1.4155     1.0812     2.8114 
   H  69    9.8111     3.1512     3.5889     2.1829     1.5967     3.2657 
   H  70    9.1698     1.8397     1.4158     2.8292     3.3533     2.2901 
   H  71    7.4716     1.2347     2.2146     1.3800     2.3800     2.9436 
   H  72    8.0775     2.2901     3.1407     1.4158     1.8396     3.3533 
   H  73   11.7968     3.1408     2.2901     3.3533     2.8292     1.4157 
   H  74    6.3871     2.5558     3.5504     2.3520     3.2566     4.2047 
   H  75    7.1152     2.3715     3.3532     1.8396     2.6008     3.8242 
   H  76    7.6143     1.4955     2.4824     1.1120     2.0402     3.0148 
   H  77   11.0048     4.0131     4.2101     3.1408     2.2901     3.6200 
   H  78   11.4137     3.8121     2.9083     4.6403     4.7390     3.0634 
   H  79   11.0048     4.0131     3.2380     4.9340     5.1927     3.6200 
   H  80   10.2225     3.1995     2.5121     4.1517     4.5067     3.0634 
   H  81    5.2331     3.5191     4.4726     3.4849     4.4186     5.2331 
   H  82    4.3319     4.3318     5.2330     4.4186     5.3762     6.0634 
   H  83   15.3902    14.7456    15.4397    13.7713    13.5209    15.2168 
   H  84   16.1774    15.3421    16.0103    14.3602    14.0713    15.7517 
   H  85   16.8842    15.1493    15.7337    14.1522    13.7521    15.3748 
   H  86   16.0887    14.4973    15.1070    13.5032    13.1359    14.7796 
   H  87   15.1557    13.7521    14.3934    12.7634    12.4394    14.1069 
   H  88   14.3606    13.1359    13.8059    12.1539    11.8715    13.5579 
   H  89   17.1020    16.0640    16.7034    15.0754    14.7456    16.4064 
   H  90   17.8911    16.6962    17.3122    15.7034    15.3421    16.9852 
   H  91   13.6835    13.5209    14.2746    12.5710    12.4175    14.1397 
   H  92   14.4682    14.0713    14.7970    13.1086    12.9081    14.6197 
   H  93   18.6134    16.6097    17.1444    15.6098    15.1493    16.7262 
   H  94   17.8175    15.9308    16.4876    14.9317    14.4973    16.0953 
   H  95   13.4282    12.4394    13.1449    11.4684    11.2409    12.9470 
   H  96   12.6336    11.8715    12.6088    10.9132    10.7384    12.4579 
   H  97   18.8175    17.4549    18.0450    16.4587    16.0640    17.6858 
   H  98   19.6079    18.1147    18.6840    17.1166    16.6962    18.2997 
   H  99   11.9842    12.4175    13.2342    11.5070    11.4706    13.2027 
   H 100   12.7651    12.9082    13.6956    11.9773    11.8844    13.6146 
   H 101   20.3430    18.1180    18.6095    17.1186    16.6097    18.1424 
   H 102   19.5470    17.4187    17.9293    16.4188    15.9308    17.4836 
   H 103   11.7019    11.2409    12.0170    10.3026    10.1969    11.9266 
   H 104   10.9081    10.7384    11.5483     9.8224     9.7823    11.5143 
   H 105    5.1725     4.0019     4.6841     4.4738     5.4718     5.6451 
   H 106    4.8213     4.8212     5.4428     5.3371     6.3328     6.4222 
   H 107    4.0019     5.1724     5.9014     5.5456     6.5442     6.8485 
   H 108   20.5357    18.9022    19.4484    17.9027    17.4549    19.0370 
   H 109   21.3273    19.5837    20.1115    18.5838    18.1147    19.6789 
   H 110   10.2957    11.4706    12.3501    10.6203    10.7217    12.4375 
   H 111   11.0710    11.8844    12.7354    11.0034    11.0390    12.7662 
   H 112   22.0730    19.6632    20.1170    18.6662    18.1180    19.6094 
   H 113   21.2769    18.9481    19.4186    17.9498    17.4187    18.9287 
   H 114    1.8397     6.9559     7.7951     7.1151     8.0774     8.6825 
   H 115    2.8292     6.1648     6.9559     6.4222     7.4070     7.8744 
   H 116    9.9776    10.1970    11.0466     9.3146     9.3593    11.0844 
   H 117    9.1852     9.7823    10.6651     8.9364     9.0595    10.7685 
   H 118    2.5069     6.9000     7.8629     6.7413     7.5825     8.5952 
   H 119    2.5069     6.3803     7.3173     6.3185     7.2093     8.0990 
   H 120   22.2561    20.3939    20.9012    19.3940    18.9022    20.4457 
   H 121   23.0485    21.0927    21.5836    20.0932    19.5837    21.1101 
   H 122    5.3983     9.9859    10.9849     9.4833    10.0547    11.4819 
   H 123    6.1177    10.0548    11.0475     9.4833     9.9859    11.4819 
   H 124    4.8385     8.5343     9.5333     8.0386     8.6287    10.0360 
   H 125    4.0630     8.5344     9.5334     8.1241     8.7873    10.1046 
   H 126    6.5416     8.7873     9.7604     8.1241     8.5343    10.1045 
   H 127    5.7557     8.6287     9.6179     8.0386     8.5343    10.0360 
   H 128    3.7289     8.9221     9.9178     8.5571     9.2522    10.5235 
   H 129    1.1266     8.0587     8.9848     8.0067     8.8914     9.7815 
   H 130    1.6279     8.5572     9.5074     8.4267     9.2714    10.2636 
   H 131    6.9829    10.2146    11.1932     9.5683     9.9859    11.5522 
   H 132    7.7334    10.4154    11.3767     9.7116    10.0548    11.6711 
   H 133    7.8438     9.0677     9.9992     8.2972     8.5571    10.2159 
   H 134    2.7431     9.5825    10.5567     9.3512    10.1333    11.2555 
   H 135   23.7801    21.5838    22.0439    20.5861    20.0446    21.5391 
   H 136   23.9492    21.4305    21.8551    20.4364    19.8596    21.3168 
   H 137   23.0929    20.5647    20.9961    19.5699    18.9995    20.4654 
   H 138    0.6200     9.2024    10.0650     9.2900    10.2247    10.9337 
   H 139    0.6200     8.6825     9.5919     8.6686     9.5669    10.4109 
   H 140    5.9770    11.6200    12.6200    11.1537    11.7483    13.1486 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    3.6055     0.0000 
   C  27    4.5826     4.0000     0.0000 
   C  28    2.9999     1.0000     4.5826     0.0000 
   C  29    4.5826     1.0001     4.5826     1.7321     0.0000 
   C  30    5.5678     4.5826     1.0000     5.2915     5.0001     0.0000 
   C  31    6.0000     2.6458     6.2450     3.0000     1.7320     6.5575 
   C  32   12.4900    14.5258    17.0587    13.5278    15.0000    18.0278 
   C  33   12.7671    15.0000    17.3494    14.0000    15.5242    18.3303 
   C  34   11.5326    13.5278    16.0935    12.5300    14.0000    17.0587 
   C  35   13.7477    16.0000    18.3303    15.0000    16.5227    19.3132 
   C  36   11.3578    13.1149    15.8745    12.1244    13.5277    16.8226 
   C  37   14.1067    16.5227    18.6815    15.5242    17.0880    19.6723 
   C  38   10.4403    12.1244    14.9332    11.1355    12.5300    15.8745 
   C  39   15.0997    17.5214    19.6723    16.5227    18.0831    20.6640 
   C  40   10.3923    11.7898    14.7987    10.8167    12.1243    15.7162 
   C  41   15.5242    18.0831    20.0749    17.0880    18.6815    21.0713 
   C  42    9.5394    10.8167    13.8925     9.8489    11.1355    14.7987 
   C  43    6.5574     3.4641     7.2111     3.6055     2.6457     7.5498 
   C  44    6.5574     3.0000     6.0828     3.6056     2.0000     6.2450 
   C  45   16.5227    19.0788    21.0713    18.0831    19.6723    22.0681 
   C  46    9.6436    10.5830    13.8564     9.6437    10.8166    14.7309 
   C  47   17.0000    19.6723    21.5174    18.6815    20.2978    22.5167 
   C  48    8.1853     5.1962     8.8882     5.2915     4.3589     9.1652 
   C  49    8.8881     9.6437    13.0000     8.7178     9.8488    13.8564 
   C  50    7.9372     5.2915     9.1652     5.1962     4.5826     9.5394 
   C  51   18.0000    20.6640    22.5167    19.6723    21.2838    23.5160 
   C  52    9.1651     8.1854    12.1244     7.5499     7.9372    12.7672 
   C  53    8.8881     7.5499    11.5326     7.0000     7.2111    12.1244 
   C  54    8.5440     7.9373    11.7899     7.2111     7.8102    12.4900 
   C  55    8.7177     6.2450    10.1489     6.0828     5.5677    10.5357 
   C  56    9.6437     8.0001    12.0001     7.5499     7.5499    12.5300 
   C  57    9.1651     9.5394    13.0767     8.6603     9.6437    13.8925 
   C  58    9.0000     8.7178    12.4900     7.9373     8.6602    13.2288 
   C  59    9.1651     6.0828     9.6437     6.2450     5.1961     9.8489 
   C  60    8.6602     6.5575    10.5357     6.2450     6.0000    11.0000 
   C  61   18.5203    21.2838    23.0000    20.2978    21.9317    24.0000 
   C  62   10.5830     9.0001    13.0001     8.5441     8.5440    13.5278 
   H  63    2.6008     1.2347     3.2380     1.3800     2.2146     4.0130 
   H  64    3.3533     3.2380     1.2347     3.6200     4.0131     2.2146 
   H  65    2.2900     1.3800     3.5192     1.2347     2.3801     4.3318 
   H  66    0.8743     3.6200     3.8242     3.2380     4.6201     4.8212 
   H  67    3.4601     3.5669     1.1500     3.9271     4.3443     2.1500 
   H  68    0.6200     3.1101     4.6339     2.4266     4.0630     5.5908 
   H  69    0.6200     3.8981     5.1957     3.1671     4.8385     6.1774 
   H  70    4.3433     2.7430     1.4158     3.4849     3.2070     1.8397 
   H  71    3.0074     0.6200     3.7289     0.8743     1.6200     4.4187 
   H  72    1.7732     2.2901     4.8708     1.4158     3.1408     5.7415 
   H  73    3.5192     4.8707     2.2900     5.0104     5.7415     3.1407 
   H  74    3.5504     1.1766     5.0675     0.6200     1.5201     5.7166 
   H  75    2.7430     1.6200     5.0104     0.6200     2.2901     5.7745 
   H  76    2.4824     1.1766     4.1339     0.6200     2.1115     4.9080 
   H  77    1.4158     5.0104     5.6200     4.3433     5.9770     6.6200 
   H  78    5.6972     5.0675     1.1766     5.7166     5.5457     0.6200 
   H  79    6.1810     5.0104     1.6200     5.7745     5.3371     0.6200 
   H  80    5.5055     4.1339     1.1766     4.9080     4.4739     0.6200 
   H  81    4.7206     1.8397     5.8194     1.7733     1.4158     6.3328 
   H  82    5.7152     2.6009     6.4222     2.7431     1.8396     6.8180 
   H  83   12.5710    14.4679    17.1207    13.4735    14.9048    18.0805 
   H  84   13.1086    15.1211    17.6762    14.1238    15.5840    18.6444 
   H  85   12.7634    15.1200    17.3441    14.1209    15.6774    18.3312 
   H  86   12.1539    14.4190    16.7364    13.4191    14.9563    17.7184 
   H  87   11.4684    13.6101    16.0448    12.6103    14.1209    17.0191 
   H  88   10.9132    12.9339    15.4754    11.9353    13.4191    16.4415 
   H  89   13.7713    15.9040    18.3504    14.9048    16.3943    19.3267 
   H  90   14.3602    16.5840    18.9427    15.5840    17.0951    19.9247 
   H  91   11.5070    13.1034    15.9844    12.1209    13.4735    16.9199 
   H  92   11.9773    13.7210    16.4944    12.7319    14.1238    17.4422 
   H  93   14.1522    16.6732    18.7135    15.6774    17.2674    19.7082 
   H  94   13.5032    15.9539    18.0756    14.9563    16.5321    19.0673 
   H  95   10.3026    12.1595    14.8342    11.1642    12.6103    15.7883 
   H  96    9.8223    11.5181    14.3132    10.5277    11.9353    15.2546 
   H  97   15.0754    17.3942    19.6560    16.3943    17.9274    20.6432 
   H  98   15.7034    18.0944    20.2783    17.0951    18.6447    21.2691 
   H  99   10.6203    11.8356    14.9626    10.8764    12.1208    15.8639 
   H 100   11.0034    12.4051    15.4171    11.4333    12.7319    16.3356 
   H 101   15.6098    18.2586    20.1390    17.2673    18.8823    21.1375 
   H 102   14.9317    17.5256    19.4768    16.5321    18.1364    20.4739 
   H 103    9.3146    10.7923    13.7359     9.8111    11.1642    14.6591 
   H 104    8.9364    10.2004    13.2759     9.2311    10.5277    14.1804 
   H 105    6.0779     2.4825     5.4651     3.1879     1.4955     5.6451 
   H 106    6.9530     3.3533     6.0634     4.0601     2.3715     6.1257 
   H 107    7.0588     3.5505     6.7009     4.0751     2.5558     6.8485 
   H 108   16.4587    18.9256    21.0232    17.9274    19.4939    22.0173 
   H 109   17.1166    19.6415    21.6700    18.6447    20.2239    22.6661 
   H 110    9.9585    10.6986    14.0805     9.7814    10.8764    14.9347 
   H 111   10.2320    11.2029    14.4674    10.2636    11.4333    15.3451 
   H 112   17.1186    19.8685    21.6092    18.8823    20.5164    22.6091 
   H 113   16.4188    19.1250    20.9276    18.1364    19.7623    21.9272 
   H 114    8.3955     5.2331     8.7696     5.4429     4.3318     8.9814 
   H 115    7.8169     4.4727     7.8438     4.8213     3.5191     8.0178 
   H 116    8.5663     9.5443    12.7787     8.5952     9.8111    13.6569 
   H 117    8.3210     9.0238    12.3947     8.0990     9.2311    13.2463 
   H 118    7.6374     5.2293     9.1764     5.0180     4.6147     9.6111 
   H 119    7.3613     4.6716     8.5535     4.5869     3.9715     8.9413 
   H 120   17.9027    20.4889    22.4409    19.4939    21.0863    23.4389 
   H 121   18.5838    21.2172    23.1078    20.2238    21.8262    24.1067 
   H 122    9.7115     8.5792    12.5460     7.9887     8.2727    13.1601 
   H 123    9.5683     8.7387    12.6556     8.0746     8.5193    13.3165 
   H 124    8.3210     7.1380    11.0974     6.5372     6.8641    11.7204 
   H 125    8.5663     7.0407    11.0350     6.5373     6.6599    11.6020 
   H 126    8.0386     7.6375    11.4251     6.8641     7.5826    12.1552 
   H 127    8.1240     7.3614    11.2423     6.6599     7.2093    11.9258 
   H 128    9.0677     7.3800    11.3800     6.9343     6.9343    11.9115 
   H 129    9.0123     6.3410    10.1660     6.2748     5.5909    10.4968 
   H 130    9.3136     6.8637    10.7598     6.7004     6.1774    11.1350 
   H 131    9.4833     9.0124    12.8461     8.2727     8.8914    13.5576 
   H 132    9.4833     9.3137    13.0593     8.5194     9.2715    13.8098 
   H 133    7.9274     8.1292    11.7100     7.2598     8.2282    12.5102 
   H 134   10.0650     7.9351    11.8931     7.6541     7.3297    12.3218 
   H 135   19.0450    21.7666    23.5389    20.7777    22.4006    24.5389 
   H 136   18.8623    21.6823    23.3162    20.7003    22.3465    24.3159 
   H 137   18.0016    20.8082    22.4652    19.8256    21.4705    23.4651 
   H 138   10.4482     7.4716    11.0592     7.5793     6.6018    11.2555 
   H 139    9.7100     6.9560    10.7176     6.9387     6.1648    11.0048 
   H 140   11.4194    10.1570    14.1466     9.6200     9.7747    14.7223 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32   15.0997     0.0000 
   C  33   15.7162     1.0001     0.0000 
   C  34   14.1067     1.0000     1.7321     0.0000 
   C  35   16.7033     1.7321     1.0000     2.6458     0.0000 
   C  36   13.5277     1.7320     2.6458     1.0000     3.4641     0.0000 
   C  37   17.3494     2.6458     1.7320     3.4641     1.0000     4.3589 
   C  38   12.5300     2.6457     3.4641     1.7320     4.3589     1.0000 
   C  39   18.3303     3.4641     2.6457     4.3589     1.7320     5.1962 
   C  40   12.0000     3.4641     4.3589     2.6457     5.1962     1.7320 
   C  41   19.0000     4.3589     3.4641     5.1962     2.6457     6.0828 
   C  42   11.0000     4.3589     5.1962     3.4641     6.0828     2.6457 
   C  43    1.0000    14.7309    15.3948    13.7477    16.3707    13.1149 
   C  44    1.0000    16.0935    16.7033    15.0997    17.6918    14.5258 
   C  45   19.9750     5.1962     4.3589     6.0828     3.4641     6.9282 
   C  46   10.5357     5.1961     6.0828     4.3589     6.9282     3.4641 
   C  47   20.6640     6.0828     5.1961     6.9282     4.3589     7.8102 
   C  48    2.6458    15.1327    15.8745    14.1774    16.8226    13.4536 
   C  49    9.5394     6.0827     6.9282     5.1961     7.8102     4.3589 
   C  50    3.0000    14.1774    14.9332    13.2287    15.8745    12.4900 
   C  51   21.6333     6.9282     6.0827     7.8102     5.1961     8.6602 
   C  52    6.9282    10.3923    11.2694     9.5394    12.1244     8.6602 
   C  53    6.0828    11.2694    12.1244    10.3923    13.0000     9.5394 
   C  54    7.0000     9.5394    10.3923     8.6602    11.2694     7.8102 
   C  55    4.0000    14.0000    14.7987    13.0767    15.7162    12.2882 
   C  56    6.2450    12.1244    13.0001    11.2694    13.8565    10.3923 
   C  57    9.1652     6.9282     7.8103     6.0828     8.6603     5.1962 
   C  58    7.9373     8.6602     9.5394     7.8102    10.3923     6.9282 
   C  59    3.4641    15.8745    16.6433    14.9332    17.5784    14.1774 
   C  60    4.5826    13.0767    13.8925    12.1655    14.7987    11.3578 
   C  61   22.3383     7.8103     6.9282     8.6603     6.0828     9.5394 
   C  62    7.2111    12.1655    13.0767    11.3578    13.8925    10.4403 
   H  63    3.8787    14.3389    14.7385    13.3501    15.7354    13.0232 
   H  64    5.7415    15.8242    16.1178    14.8588    17.0998    14.6426 
   H  65    3.9755    13.9630    14.3598    12.9748    15.3566    12.6532 
   H  66    6.1810    13.3058    13.5574    12.3558    14.5322    12.2027 
   H  67    6.0723    15.9491    16.2241    14.9891    17.2024    14.7927 
   H  68    5.4215    12.4394    12.7634    11.4684    13.7521    11.2409 
   H  69    6.1381    11.8715    12.1539    10.9132    13.1359    10.7384 
   H  70    4.8399    16.5706    16.9359    15.5873    17.9289    15.2880 
   H  71    3.2380    14.2592    14.6998    13.2644    15.6992    12.8913 
   H  72    4.3433    12.5006    12.9091    11.5111    13.9070    11.1859 
   H  73    7.4715    15.7691    15.9507    14.8420    16.9057    14.7487 
   H  74    2.4825    13.5022    14.0137    12.5024    15.0128    12.0514 
   H  75    3.3533    12.9091    13.3800    11.9115    14.3800    11.5111 
   H  76    3.5505    13.5815    14.0137    12.5880    15.0128    12.2283 
   H  77    7.3297    11.7100    11.8956    10.7873    12.8555    10.7231 
   H  78    7.1345    18.1867    18.4575    17.2266    19.4340    17.0243 
   H  79    6.8180    18.6302    18.9395    17.6591    19.9235    17.4134 
   H  80    5.9890    17.8890    18.2233    16.9120    19.2117    16.6416 
   H  81    1.4158    13.9070    14.4839    12.9091    15.4772    12.3800 
   H  82    0.6200    14.4839    15.1051    13.4916    16.0911    12.9091 
   H  83   14.9345     0.6200     1.5969     1.0812     2.1830     1.4155 
   H  84   15.6566     0.6200     1.0813     1.5967     1.4156     2.1829 
   H  85   15.9341     1.5968     0.6199     2.1829     1.0812     3.1512 
   H  86   15.1798     1.0813     0.6200     1.4156     1.5967     2.4059 
   H  87   14.3009     1.0812     1.4155     0.6200     2.4059     1.5968 
   H  88   13.5575     1.5967     2.1829     0.6200     3.1512     1.0813 
   H  89   16.5123     1.4155     1.0812     2.4059     0.6200     3.1021 
   H  90   17.2484     2.1829     1.5967     3.1512     0.6200     3.8917 
   H  91   13.3947     2.1829     3.1513     1.5968     3.8918     0.6200 
   H  92   14.0978     1.4155     2.4059     1.0812     3.1022     0.6200 
   H  93   17.5863     3.1513     2.1829     3.8918     1.5968     4.8282 
   H  94   16.8239     2.4059     1.4155     3.1022     1.0812     4.0507 
   H  95   12.6939     2.4059     3.1021     1.4155     4.0506     1.0812 
   H  96   11.9661     3.1512     3.8917     2.1828     4.8281     1.5967 
   H  97   18.1184     3.1021     2.4059     4.0506     1.4155     4.8210 
   H  98   18.8650     3.8917     3.1512     4.8281     2.1828     5.6148 
   H  99   11.9080     3.8917     4.8282     3.1512     5.6149     2.1829 
   H 100   12.5844     3.1022     4.0507     2.4059     4.8211     1.4156 
   H 101   19.2525     4.8282     3.8917     5.6149     3.1512     6.5339 
   H 102   18.4842     4.0507     3.1022     4.8211     2.4059     5.7470 
   H 103   11.1245     4.0506     4.8210     3.1021     5.7469     2.4059 
   H 104   10.4196     4.8281     5.6148     3.8917     6.5339     3.1512 
   H 105    1.1766    16.0386    16.6181    15.0412    17.6114    14.5021 
   H 106    1.6200    16.7100    17.3160    15.7157    18.3053    15.1448 
   H 107    1.1766    16.1719    16.8109    15.1833    17.7934    14.5759 
   H 108   19.7458     4.8210     4.0506     5.7469     3.1021     6.5469 
   H 109   20.5005     5.6148     4.8281     6.5339     3.8917     7.3421 
   H 110   10.4967     5.6148     6.5339     4.8281     7.3422     3.8917 
   H 111   11.1349     4.8211     5.7470     4.0507     6.5470     3.1022 
   H 112   20.9293     6.5339     5.6148     7.3422     4.8281     8.2506 
   H 113   20.1565     5.7470     4.8211     6.5470     4.0507     7.4597 
   H 114    2.6009    15.7278    16.4616    14.7690    17.4134    14.0536 
   H 115    1.8397    15.9995    16.6915    15.0248    17.6591    14.3570 
   H 116    9.6111     5.7469     6.5469     4.8210     7.4597     4.0506 
   H 117    8.9413     6.5338     7.3421     5.6148     8.2506     4.8281 
   H 118    3.1671    13.5579    14.3132    12.6088    15.2546    11.8715 
   H 119    2.4267    14.1069    14.8342    13.1449    15.7883    12.4394 
   H 120   21.3896     6.5469     5.7469     7.4596     4.8210     8.2753 
   H 121   22.1506     7.3421     6.5338     8.2506     5.6148     9.0712 
   H 122    7.1640    10.8013    11.6976     9.9726    12.5319     9.0713 
   H 123    7.5396    10.0051    10.9035     9.1797    11.7355     8.2754 
   H 124    5.8507    10.9034    11.7354    10.0050    12.6295     9.1796 
   H 125    5.4854    11.6975    12.5319    10.8013    13.4244     9.9726 
   H 126    6.9001     9.1796    10.0050     8.2753    10.9035     7.4596 
   H 127    6.3803     9.9725    10.8013     9.0712    11.6975     8.2505 
   H 128    5.6519    12.1402    12.9910    11.2589    13.8703    10.4108 
   H 129    3.9400    14.6197    15.4171    13.6956    16.3356    12.9082 
   H 130    4.5875    14.1396    14.9626    13.2342    15.8639    12.4175 
   H 131    8.0587     9.0713     9.9726     8.2506    10.8013     7.3422 
   H 132    8.5572     8.2754     9.1797     7.4597    10.0051     6.5470 
   H 133    7.7823     7.8743     8.6824     6.9559     9.5919     6.1648 
   H 134    5.8193    13.5286    14.3967    12.6651    15.2606    11.7968 
   H 135   22.7753     8.1043     7.2581     8.9863     6.3723     9.8363 
   H 136   22.7865     8.3705     7.4716     9.2024     6.6486    10.0958 
   H 137   21.9102     7.5558     6.6400     8.3676     5.8449     9.2745 
   H 138    4.8708    16.2137    17.0331    15.3057    17.9373    14.4922 
   H 139    4.4727    15.1461    15.9620    14.2353    16.8685    13.4263 
   H 140    8.5255    11.4562    12.4042    10.7175    13.1623     9.7593 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    5.1962     0.0000 
   C  39    1.0000     6.0828     0.0000 
   C  40    6.0828     1.0000     6.9282     0.0000 
   C  41    1.7320     6.9282     1.0000     7.8102     0.0000 
   C  42    6.9282     1.7320     7.8102     1.0000     8.6602     0.0000 
   C  43   17.0587    12.1243    18.0277    11.5326    18.7350    10.5357 
   C  44   18.3303    13.5277    19.3132    13.0000    19.9750    12.0000 
   C  45    2.6457     7.8102     1.7320     8.6602     1.0000     9.5394 
   C  46    7.8102     2.6457     8.6602     1.7320     9.5394     1.0000 
   C  47    3.4641     8.6602     2.6457     9.5394     1.7320    10.3923 
   C  48   17.5784    12.4900    18.5203    11.7898    19.2873    10.8167 
   C  49    8.6602     3.4641     9.5394     2.6457    10.3923     1.7320 
   C  50   16.6433    11.5326    17.5784    10.8167    18.3576     9.8489 
   C  51    4.3589     9.5394     3.4641    10.3923     2.6457    11.2694 
   C  52   13.0000     7.8102    13.8564     6.9282    14.7309     6.0828 
   C  53   13.8564     8.6602    14.7309     7.8102    15.5884     6.9282 
   C  54   12.1244     6.9282    13.0000     6.0828    13.8564     5.1962 
   C  55   16.5227    11.3578    17.4356    10.5830    18.2483     9.6437 
   C  56   14.7310     9.5394    15.5885     8.6603    16.4621     7.8103 
   C  57    9.5394     4.3589    10.3923     3.4641    11.2694     2.6458 
   C  58   11.2694     6.0828    12.1244     5.1962    13.0000     4.3589 
   C  59   18.3576    13.2287    19.2873    12.4900    20.0748    11.5326 
   C  60   15.6205    10.4403    16.5227     9.6437    17.3493     8.7178 
   C  61    5.1962    10.3923     4.3589    11.2694     3.4641    12.1244 
   C  62   14.7987     9.6437    15.6205     8.7178    16.5227     7.9373 
   H  63   16.1933    12.0509    17.1931    11.8154    17.6981    10.8731 
   H  64   17.4581    13.7035    18.4501    13.5796    18.8623    12.6801 
   H  65   15.8134    11.6827    16.8132    11.4562    17.3183    10.5178 
   H  66   14.8642    11.2927    15.8532    11.2590    16.2507    10.4108 
   H  67   17.5434    13.8608    18.5330    13.7576    18.9294    12.8675 
   H  68   14.1522    10.3026    15.1493    10.1969    15.6098     9.3146 
   H  69   13.5032     9.8224    14.4973     9.7823    14.9317     8.9364 
   H  70   18.3490    14.3215    19.3469    14.1019    19.8127    13.1622 
   H  71   16.1933    11.9082    17.1931    11.6209    17.7303    10.6613 
   H  72   14.3800    10.2159    15.3800     9.9992    15.9036     9.0678 
   H  73   17.1629    13.8616    18.1368    13.8702    18.4582    13.0386 
   H  74   15.5711    11.0561    16.5668    10.6847    17.1619     9.7038 
   H  75   14.9052    10.5235    15.9036    10.2159    16.4713     9.2523 
   H  76   15.5020    11.2487    16.5018    10.9821    17.0363    10.0303 
   H  77   13.1394     9.8603    14.1211     9.9421    14.4839     9.1698 
   H  78   19.7638    16.0881    20.7511    15.9656    21.1313    15.0633 
   H  79   20.2871    16.4616    21.2792    16.2900    21.6893    15.3663 
   H  80   19.6001    15.6825    20.5952    15.4877    21.0294    14.5557 
   H  81   16.0911    11.3800    17.0788    10.9144    17.7219     9.9179 
   H  82   16.7423    11.9115    17.7219    11.3800    18.3969    10.3800 
   H  83    3.1513     2.4059     3.8918     3.1021     4.8282     4.0506 
   H  84    2.4059     3.1512     3.1022     3.8917     4.0507     4.8281 
   H  85    1.4155     3.8917     2.4059     4.8281     3.1021     5.6148 
   H  86    2.1829     3.1022     3.1512     4.0507     3.8917     4.8211 
   H  87    3.1021     2.1829     4.0506     3.1512     4.8210     3.8917 
   H  88    3.8917     1.4156     4.8281     2.4059     5.6148     3.1022 
   H  89    1.5968     4.0506     2.1829     4.8210     3.1512     5.7469 
   H  90    1.0813     4.8281     1.4156     5.6148     2.4059     6.5338 
   H  91    4.8282     1.0812     5.6149     1.4155     6.5339     2.4059 
   H  92    4.0507     1.5967     4.8211     2.1829     5.7469     3.1512 
   H  93    0.6200     5.6149     1.0812     6.5339     1.4155     7.3422 
   H  94    0.6200     4.8211     1.5967     5.7469     2.1829     6.5469 
   H  95    4.8210     0.6200     5.7469     1.5968     6.5469     2.1829 
   H  96    5.6148     0.6200     6.5338     1.0813     7.3421     1.4156 
   H  97    1.0812     5.7469     0.6200     6.5469     1.5968     7.4596 
   H  98    1.5967     6.5338     0.6200     7.3421     1.0813     8.2505 
   H  99    6.5339     1.5968     7.3422     0.6200     8.2506     1.0812 
   H 100    5.7470     1.0813     6.5470     0.6200     7.4597     1.5967 
   H 101    2.1829     7.3422     1.5968     8.2506     0.6200     9.0713 
   H 102    1.4156     6.5470     1.0813     7.4597     0.6200     8.2754 
   H 103    6.5469     1.4155     7.4596     1.0812     8.2753     0.6200 
   H 104    7.3421     2.1829     8.2506     1.5967     9.0712     0.6200 
   H 105   18.2233    13.5022    19.2117    13.0148    19.8498    12.0160 
   H 106   18.9395    14.1465    19.9235    13.6200    20.5807    12.6200 
   H 107   18.4575    13.5815    19.4340    13.0148    20.1185    12.0160 
   H 108    2.4059     7.4596     1.4155     8.2753     1.0812     9.1796 
   H 109    3.1512     8.2506     2.1829     9.0712     1.5967     9.9726 
   H 110    8.2506     3.1512     9.0713     2.1829     9.9726     1.5968 
   H 111    7.4597     2.4059     8.2754     1.4156     9.1797     1.0813 
   H 112    3.8917     9.0713     3.1512     9.9726     2.1829    10.8013 
   H 113    3.1022     8.2754     2.4059     9.1797     1.4156    10.0051 
   H 114   18.1616    13.0868    19.1072    12.3953    19.8672    11.4195 
   H 115   18.3702    13.3748    19.3314    12.7383    20.0580    11.7484 
   H 116    8.2754     3.1021     9.1797     2.4059    10.0050     1.4155 
   H 117    9.0712     3.8917     9.9726     3.1512    10.8013     2.1829 
   H 118   16.0235    10.9132    16.9584    10.2004    17.7380     9.2311 
   H 119   16.5324    11.4684    17.4796    10.7923    18.2369     9.8111 
   H 120    4.0506     9.1796     3.1021    10.0050     2.4059    10.9034 
   H 121    4.8281     9.9726     3.8917    10.8013     3.1512    11.6975 
   H 122   13.4244     8.2506    14.2629     7.3422    15.1524     6.5339 
   H 123   12.6296     7.4597    13.4663     6.5470    14.3571     5.7470 
   H 124   13.4662     8.2753    14.3570     7.4596    15.1973     6.5469 
   H 125   14.2629     9.0712    15.1524     8.2506    15.9940     7.3421 
   H 126   11.7354     6.5469    12.6295     5.7469    13.4662     4.8210 
   H 127   12.5319     7.3421    13.4243     6.5338    14.2628     5.6148 
   H 128   14.7229     9.5270    15.6008     8.6824    16.4549     7.7952 
   H 129   17.1406    11.9773    18.0545    11.2029    18.8657    10.2636 
   H 130   16.6917    11.5070    17.5897    10.6986    18.4214     9.7814 
   H 131   11.6976     6.5339    12.5319     5.6149    13.4244     4.8282 
   H 132   10.9035     5.7470    11.7355     4.8211    12.6296     4.0507 
   H 133   10.4108     5.2330    11.3139     4.4726    12.1402     3.5191 
   H 134   16.1284    10.9336    16.9925    10.0650    17.8601     9.2024 
   H 135    5.5322    10.7158     4.6403    11.5684     3.8121    12.4459 
   H 136    5.7415    10.9336     4.9340    11.8230     4.0130    12.6651 
   H 137    4.9156    10.0966     4.1517    10.9974     3.1995    11.8266 
   H 138   18.7613    13.5796    19.6623    12.7736    20.4901    11.8552 
   H 139   17.6897    12.5102    18.5926    11.7100    19.4182    10.7873 
   H 140   14.1019     9.0479    14.8743     8.0774    15.8071     7.4071 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    1.7320     0.0000 
   C  45   19.6977    20.9523     0.0000 
   C  46   10.0000    11.5326    10.3923     0.0000 
   C  47   20.4206    21.6333     1.0000    11.2694     0.0000 
   C  48    1.7321     3.0000    20.2237    10.1489    21.0000     0.0000 
   C  49    9.0000    10.5357    11.2694     1.0000    12.1243     9.1652 
   C  50    2.0000     3.6056    19.2873     9.1652    20.0748     1.0000 
   C  51   21.3775    22.6053     1.7320    12.1243     1.0000    21.9317 
   C  52    6.0828     7.8102    15.5884     5.1962    16.4620     5.5678 
   C  53    5.1962     6.9282    16.4621     6.0828    17.3205     4.5826 
   C  54    6.2450     7.9373    14.7309     4.3589    15.5884     6.0000 
   C  55    3.0000     4.5826    19.1572     8.8882    19.9750     1.7320 
   C  56    5.2916     7.0000    17.3205     6.9283    18.1934     4.3589 
   C  57    8.5440    10.1489    12.1244     1.7321    13.0000     8.5440 
   C  58    7.2111     8.8882    13.8564     3.4641    14.7309     7.0000 
   C  59    2.6458     3.6055    21.0000    10.8167    21.7945     1.0000 
   C  60    3.6056     5.2915    18.2483     7.9373    19.0788     2.6457 
   C  61   22.1133    23.3024     2.6458    13.0000     1.7321    22.7157 
   C  62    6.2450     7.9373    17.3494     7.0000    18.2483     5.1962 
   H  63    4.6695     4.2029    18.6977    10.7519    19.2412     6.3988 
   H  64    6.6486     5.7745    19.8596    12.6651    20.3171     8.3705 
   H  65    4.7100     4.3800    18.3179    10.4108    18.8622     6.4284 
   H  66    6.8428     6.6200    17.2472    10.5178    17.6981     8.5255 
   H  67    6.9801     6.0969    19.9254    12.8733    20.3684     8.7019 
   H  68    5.9533     6.0147    16.6097     9.3593    17.1186     7.5715 
   H  69    6.6126     6.7706    15.9308     9.0595    16.4188     8.1849 
   H  70    5.8141     4.6695    20.8126    13.0386    21.3168     7.4796 
   H  71    4.0130     3.6200    18.7282    10.4835    19.3004     5.7415 
   H  72    4.8212     5.0104    16.9022     8.9913    17.4661     6.4222 
   H  73    8.3333     7.5792    19.4444    13.1622    19.8203    10.0650 
   H  74    3.0148     3.1879    18.1530     9.4387    18.7778     4.6842 
   H  75    3.8242     4.0601    17.4661     9.0678    18.0678     5.4429 
   H  76    4.2047     4.0751    18.0343     9.8833    18.6054     5.9015 
   H  77    7.8169     7.9350    15.4772     9.4183    15.9036     9.3864 
   H  78    8.1225     6.8485    22.1254    15.0325    22.5490     9.7532 
   H  79    7.8169     6.4222    22.6862    15.2808    23.1362     9.3864 
   H  80    6.9852     5.6451    22.0281    14.4497    22.5013     8.5817 
   H  81    1.8396     2.2901    18.7036     9.5386    19.3702     3.5191 
   H  82    0.8743     1.6200    19.3702     9.9179    20.0645     2.6009 
   H  83   14.5289    15.9318     5.6149     4.8210     6.5339    14.8652 
   H  84   15.2702    16.6521     4.8211     5.6148     5.7469    15.6347 
   H  85   15.6475    16.9148     4.0506     6.5338     4.8210    16.1852 
   H  86   14.8787    16.1635     4.8281     5.7469     5.6148    15.3984 
   H  87   13.9809    15.2882     5.7469     4.8281     6.5469    14.4769 
   H  88   13.2195    14.5479     6.5338     4.0507     7.3421    13.6927 
   H  89   16.1464    17.5055     3.8917     6.5469     4.8281    16.5406 
   H  90   16.8985    18.2393     3.1022     7.3421     4.0507    17.3154 
   H  91   12.9410    14.3946     7.3422     3.1021     8.2506    13.2043 
   H  92   13.6674    15.0968     6.5469     3.8917     7.4596    13.9665 
   H  93   17.3270    18.5605     2.4059     8.2506     3.1021    17.8981 
   H  94   16.5528    17.8011     3.1512     7.4596     3.8917    17.1093 
   H  95   12.3322    13.6876     7.4596     3.1512     8.2753    12.7750 
   H  96   11.5817    12.9623     8.2505     2.4059     9.0712    11.9946 
   H  97   17.7856    19.1066     2.1829     8.2753     3.1512    18.2267 
   H  98   18.5456    19.8508     1.4156     9.0712     2.4059    19.0054 
   H  99   11.3952    12.9068     9.0713     1.4155     9.9726    11.5644 
   H 100   12.1003    13.5843     8.2754     2.1828     9.1797    12.3159 
   H 101   19.0160    20.2206     1.0812     9.9726     1.4155    19.6143 
   H 102   18.2377    19.4551     1.5967     9.1797     2.1828    18.8242 
   H 103   10.7100    12.1231     9.1796     1.5968    10.0050    11.0824 
   H 104    9.9758    11.4194     9.9726     1.0812    10.8013    10.3078 
   H 105    2.1114     0.6200    20.8330    11.5956    21.4928     3.5505 
   H 106    2.2901     0.6200    21.5593    12.1509    22.2356     3.3533 
   H 107    1.5200     0.6200    21.0892    11.5026    21.7905     2.4825 
   H 108   19.4408    20.7287     0.6200    10.0050     1.5968    19.9206 
   H 109   20.2069    21.4810     0.6200    10.8013     1.0812    20.7023 
   H 110    9.9111    11.4876    10.8013     0.6200    11.6976     9.9557 
   H 111   10.5847    12.1306    10.0051     0.6200    10.9035    10.6912 
   H 112   20.7120    21.8918     1.5968    11.6976     0.6200    21.3331 
   H 113   19.9307    21.1215     1.0813    10.9035     0.6200    20.5419 
   H 114    1.8397     2.7431    20.8073    10.7603    21.5769     0.6200 
   H 115    1.4158     1.7733    21.0134    11.1537    21.7528     1.4158 
   H 116    9.1281    10.6108    10.9035     1.0812    11.7354     9.4041 
   H 117    8.4201     9.9389    11.6975     1.5967    12.5319     8.6390 
   H 118    2.1943     3.8981    18.6674     8.5535    19.4556     1.5967 
   H 119    1.4332     3.1102    19.1781     9.1765    19.9462     1.0812 
   H 120   21.1084    22.3674     1.4155    11.7354     1.0812    21.6206 
   H 121   21.8792    23.1261     2.1829    12.5319     1.5967    22.4046 
   H 122    6.2748     8.0067    15.9941     5.6149    16.8812     5.5908 
   H 123    6.7004     8.4268    15.1974     4.8211    16.0855     6.1774 
   H 124    5.0181     6.7414    16.0855     5.7469    16.9286     4.6148 
   H 125    4.5869     6.3186    16.8812     6.5339    17.7254     3.9716 
   H 126    6.2098     7.8630    14.3570     4.0506    15.1973     6.1381 
   H 127    5.6266     7.3173    15.1523     4.8281    15.9940     5.4216 
   H 128    4.7101     6.4284    17.3316     6.9559    18.1869     3.8787 
   H 129    2.9562     4.3998    19.7758     9.5074    20.5920     1.4156 
   H 130    3.5889     5.1245    19.3166     8.9848    20.1515     2.1829 
   H 131    7.2796     8.9848    14.2629     3.8918    15.1524     6.9193 
   H 132    7.8279     9.5074    13.4663     3.1022    14.3571     7.5856 
   H 133    7.1975     8.7718    13.0386     2.8292    13.8702     7.3256 
   H 134    4.8213     6.4222    18.7244     8.3334    19.5919     3.5192 
   H 135   22.5308    23.7442     2.9083    13.3004     2.1114    23.0990 
   H 136   22.5797    23.7454     3.2380    13.5515     2.2901    23.2100 
   H 137   21.7055    22.8688     2.5121    12.7227     1.5201    22.3429 
   H 138    4.0131     5.0105    21.3884    11.0592    22.2195     2.2901 
   H 139    3.5192     4.8213    20.3181     9.9993    21.1472     1.8397 
   H 140    7.5792     9.2900    16.5905     6.4222    17.5175     6.6018 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50    8.1854     0.0000 
   C  51   13.0000    21.0000     0.0000 
   C  52    4.3589     4.5826    17.3205     0.0000 
   C  53    5.1962     3.6055    18.1934     1.0000     0.0000 
   C  54    3.4641     5.0000    16.4621     1.0000     1.7320     0.0000 
   C  55    7.9373     1.0000    20.8806     4.0000     3.0000     4.5826 
   C  56    6.0828     3.4641    19.0526     1.7321     1.0001     2.6458 
   C  57    1.0001     7.5498    13.8564     3.4641     4.3589     2.6457 
   C  58    2.6458     6.0000    15.5884     1.7320     2.6457     1.0000 
   C  59    9.8489     1.7320    22.7156     6.0000     5.0000     6.5574 
   C  60    7.0000     1.7320    19.9750     3.0000     2.0000     3.6055 
   C  61   13.8564    21.7945     1.0001    18.1934    19.0526    17.3205 
   C  62    6.2450     4.3589    19.0788     2.0000     1.7321     3.0000 
   H  63    9.8602     6.4284    20.2387     8.9221     8.3800     8.5571 
   H  64   11.8230     8.5255    21.3168    11.1537    10.6200    10.7603 
   H  65    9.5270     6.3988    19.8596     8.7066     8.1966     8.3093 
   H  66    9.7593     8.3705    18.6977     9.9098     9.5825     9.3255 
   H  67   12.0425     8.8557    21.3676    11.4487    10.9258    11.0419 
   H  68    8.5662     7.3173    18.1180     8.6287     8.3210     8.0386 
   H  69    8.3210     7.8630    17.4187     8.7873     8.5663     8.1241 
   H  70   12.1402     7.7823    22.3165    10.9281    10.2861    10.6614 
   H  71    9.5668     5.7745    20.2949     8.3955     7.8169     8.0774 
   H  72    8.1292     6.1648    18.4614     7.7087     7.3256     7.1975 
   H  73   12.4042    10.1333    20.8140    12.3217    11.8930    11.8146 
   H  74    8.4905     4.5762    19.7637     7.0617     6.4705     6.7780 
   H  75    8.1526     5.2331    19.0579     7.1975     6.7115     6.7959 
   H  76    8.9822     5.8162    19.6001     8.0562     7.5433     7.6700 
   H  77    8.7718     9.0479    16.9022     9.7100     9.5669     8.9814 
   H  78   14.1766    10.1056    23.5469    13.2362    12.6173    12.9276 
   H  79   14.3967     9.8156    24.1355    13.1881    12.5174    12.9439 
   H  80   13.5570     8.9803    23.5013    12.3115    11.6435    12.0684 
   H  81    8.5571     3.4849    20.3461     6.5241     5.8141     6.3988 
   H  82    8.9221     2.7431    21.0320     6.3988     5.5843     6.4284 
   H  83    5.7469    13.8992     7.3422    10.0050    10.9034     9.1796 
   H  84    6.5338    14.6724     6.5469    10.8013    11.6975     9.9726 
   H  85    7.3421    15.2560     5.7469    11.6976    12.5319    10.8013 
   H  86    6.5469    14.4663     6.5338    10.9035    11.7354    10.0051 
   H  87    5.6148    13.5412     7.4596     9.9726    10.8013     9.0713 
   H  88    4.8211    12.7537     8.2505     9.1797    10.0051     8.2754 
   H  89    7.4596    15.5823     5.6148    11.7354    12.6295    10.9035 
   H  90    8.2505    16.3603     4.8211    12.5319    13.4243    11.6975 
   H  91    4.0506    12.2299     9.0713     8.2753     9.1796     7.4596 
   H  92    4.8281    12.9961     8.2753     9.0712     9.9726     8.2506 
   H  93    9.0713    16.9743     4.0506    13.4244    14.2629    12.5319 
   H  94    8.2753    16.1832     4.8281    12.6295    13.4662    11.7354 
   H  95    3.8917    11.8315     9.1796     8.2506     9.0713     7.3422 
   H  96    3.1022    11.0470     9.9725     7.4597     8.2754     6.5470 
   H  97    9.1796    17.2751     3.8917    13.4662    14.3570    12.6295 
   H  98    9.9725    18.0565     3.1022    14.2628    15.1523    13.4243 
   H  99    2.4059    10.5806    10.8013     6.5469     7.4596     5.7469 
   H 100    3.1512    11.3365    10.0051     7.3421     8.2505     6.5338 
   H 101   10.8013    18.6951     2.4059    15.1524    15.9941    14.2629 
   H 102   10.0051    17.9029     3.1512    14.3571    15.1974    13.4663 
   H 103    2.1829    10.1293    10.9034     6.5339     7.3422     5.6149 
   H 104    1.4155     9.3497    11.6975     5.7469     6.5469     4.8211 
   H 105   10.6046     4.0751    22.4709     8.1043     7.2581     8.1613 
   H 106   11.1537     4.0601    23.2091     8.3704     7.4716     8.5255 
   H 107   10.5029     3.1879    22.7558     7.5557     6.6399     7.7565 
   H 108   10.9034    18.9749     2.1829    15.1973    16.0855    14.3570 
   H 109   11.6975    19.7591     1.4155    15.9940    16.8812    15.1524 
   H 110    1.0812     8.9627    12.5319     4.8210     5.7469     4.0506 
   H 111    1.5967     9.7024    11.7354     5.6148     6.5338     4.8281 
   H 112   12.5319    20.4178     1.0812    16.8812    17.7254    15.9941 
   H 113   11.7354    19.6248     1.5967    16.0855    16.9286    15.1974 
   H 114    9.7747     1.6200    22.5123     6.1810     5.1927     6.6200 
   H 115   10.1570     2.2901    22.7030     6.8428     5.8808     7.1725 
   H 116    0.6199     8.4393    12.6295     4.8281     5.6148     3.8917 
   H 117    0.6200     7.6679    13.4243     4.0507     4.8211     3.1022 
   H 118    7.5715     0.6200    20.3803     4.0630     3.1102     4.4225 
   H 119    8.1849     0.6200    20.8822     4.8385     3.8982     5.1441 
   H 120   12.6295    20.6801     0.6200    16.9286    17.8146    16.0855 
   H 121   13.4243    21.4663     0.6200    17.7254    18.6106    16.8812 
   H 122    4.8282     4.6339    17.7254     0.6200     1.0812     1.5968 
   H 123    4.0507     5.1957    16.9286     0.6200     1.5967     1.0813 
   H 124    4.8210     3.6167    17.8146     1.0812     0.6200     1.4155 
   H 125    5.6148     2.9898    18.6106     1.5967     0.6200     2.1829 
   H 126    3.1021     5.1441    16.0855     1.5968     2.1829     0.6200 
   H 127    3.8917     4.4225    16.8811     1.0813     1.4156     0.6200 
   H 128    6.0634     2.9435    19.0626     1.8397     0.8743     2.6008 
   H 129    8.5572     1.0813    21.4987     4.5875     3.5889     5.1957 
   H 130    8.0587     1.5968    21.0444     3.9399     2.9561     4.6339 
   H 131    3.1513     5.9239    15.9941     1.4155     2.4059     1.0812 
   H 132    2.4060     6.5860    15.1974     2.1828     3.1512     1.5967 
   H 133    1.8397     6.3470    14.7649     2.8292     3.5192     1.8397 
   H 134    7.4716     2.8292    20.4564     3.1408     2.2901     4.0130 
   H 135   14.1765    22.1696     1.1766    18.4965    19.3700    17.6387 
   H 136   14.3967    22.2954     1.6200    18.7410    19.5919    17.8601 
   H 137   13.5571    21.4308     1.1767    17.9066    18.7503    17.0190 
   H 138   10.1334     2.6200    23.1155     5.9770     5.0104     6.7056 
   H 139    9.0678     1.7733    22.0446     4.9563     3.9755     5.6520 
   H 140    5.8193     5.7415    18.3097     2.2901     2.6200     3.1408 

              C  55      C  56      C  57      C  58      C  59      C  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56    2.6458     0.0000 
   C  57    7.2111     5.1962     0.0000 
   C  58    5.5678     3.4641     1.7320     0.0000 
   C  59    2.0000     4.5826     9.1651     7.5498     0.0000 
   C  60    1.0000     1.7321     6.2450     4.5826     3.0000     0.0000 
   C  61   21.7025    19.9249    14.7310    16.4621    23.5160    20.8087 
   C  62    3.4641     1.0000     5.2915     3.6056     5.2915     2.6458 
   H  63    7.3542     8.9222     9.8795     9.2523     7.3024     7.5805 
   H  64    9.4829    11.1537    11.9334    11.4195     9.2024     9.7747 
   H  65    7.3024     8.7719     9.5669     8.9814     7.3542     7.4796 
   H  66    9.2024    10.2988    10.0242     9.8155     9.4829     9.2230 
   H  67    9.8119    11.4684    12.1727    11.6886     9.5327    10.0982 
   H  68    8.0989     9.0595     8.7873     8.5343     8.5534     8.0503 
   H  69    8.5952     9.3594     8.6288     8.5344     9.1764     8.4683 
   H  70    8.7718    10.7035    12.1303    11.4142     8.2283     9.1959 
   H  71    6.7055     8.3274     9.5271     8.8105     6.6486     6.9530 
   H  72    6.9559     8.0178     8.2283     7.7823     7.4070     6.9386 
   H  73   11.0591    12.5174    12.6532    12.3679    10.9336    11.2554 
   H  74    5.4651     6.9853     8.3675     7.5460     5.6451     5.6451 
   H  75    6.0634     7.3257     8.1293     7.4796     6.4222     6.1257 
   H  76    6.7009     8.1226     8.9863     8.3563     6.8485     6.8485 
   H  77    9.7593    10.3993     9.1960     9.2965    10.3791     9.5919 
   H  78   11.0994    13.0489    14.2496    13.6427    10.4498    11.5411 
   H  79   10.8150    12.8867    14.4099    13.7035    10.0242    11.3228 
   H  80    9.9786    12.0208    13.5544    12.8315     9.2505    10.4677 
   H  81    4.4186     6.1988     8.2973     7.2598     4.4726     4.7206 
   H  82    3.7289     5.8142     8.5571     7.3542     3.5191     4.2029 
   H  83   13.6835    11.7354     6.5469     8.2753    15.5823    12.7457 
   H  84   14.4682    12.5319     7.3421     9.0712    16.3603    13.5338 
   H  85   15.1557    13.4244     8.2506     9.9726    16.9743    14.2646 
   H  86   14.3605    12.6296     7.4597     9.1797    16.1832    13.4681 
   H  87   13.4281    11.6976     6.5339     8.2506    15.2560    12.5339 
   H  88   12.6335    10.9035     5.7470     7.4597    14.4663    11.7376 
   H  89   15.3902    13.4663     8.2754    10.0050    17.2751    14.4594 
   H  90   16.1774    14.2629     9.0712    10.8013    18.0565    15.2494 
   H  91   11.9841    10.0050     4.8210     6.5469    13.8992    11.0379 
   H  92   12.7651    10.8013     5.6148     7.3421    14.6724    11.8230 
   H  93   16.8842    15.1524     9.9726    11.6976    18.6951    15.9956 
   H  94   16.0886    14.3571     9.1797    10.9035    17.9029    15.1990 
   H  95   11.7019     9.9726     4.8282     6.5339    13.5412    10.8036 
   H  96   10.9081     9.1797     4.0507     5.7470    12.7537    10.0076 
   H  97   17.1020    15.1973    10.0050    11.7354    18.9749    16.1769 
   H  98   17.8910    15.9940    10.8013    12.5319    19.7590    16.9683 
   H  99   10.2956     8.2754     3.1021     4.8210    12.2299     9.3389 
   H 100   11.0710     9.0712     3.8917     5.6148    12.9961    10.1194 
   H 101   18.6133    16.8813    11.6976    13.4244    20.4178    17.7268 
   H 102   17.8175    16.0856    10.9035    12.6296    19.6248    16.9301 
   H 103    9.9776     8.2506     3.1513     4.8282    11.8315     9.0740 
   H 104    9.1851     7.4597     2.4059     4.0507    11.0470     8.2784 
   H 105    5.0675     7.3996    10.2729     9.0888     4.2047     5.7166 
   H 106    5.0104     7.4970    10.7603     9.4829     3.8242     5.7745 
   H 107    4.1339     6.6344    10.0616     8.7271     3.0148     4.9080 
   H 108   18.8174    16.9286    11.7354    13.4662    20.6801    17.8973 
   H 109   19.6079    17.7254    12.5319    14.2629    21.4663    18.6897 
   H 110    8.6244     6.5469     1.4155     3.1021    10.5806     7.6548 
   H 111    9.3908     7.3421     2.1829     3.8917    11.3365     8.4274 
   H 112   20.3430    18.6107    13.4244    15.1524    22.1420    19.4582 
   H 113   19.5470    17.8147    12.6296    14.3571    21.3484    18.6614 
   H 114    2.2901     4.9340     9.1610     7.6200     0.8743     3.2380 
   H 115    3.1407     5.7415     9.6200     8.1660     1.8396     4.0130 
   H 116    8.2566     6.5339     1.5968     3.1512    10.1293     7.3455 
   H 117    7.4664     5.7470     1.0813     2.4059     9.3497     6.5507 
   H 118    1.0813     3.1022     6.9482     5.4216     2.3451     1.4156 
   H 119    1.5968     3.8918     7.6120     6.1381     2.0295     2.1829 
   H 120   20.5357    18.6600    13.4662    15.1973    22.3894    19.6196 
   H 121   21.3272    19.4569    14.2629    15.9940    23.1772    20.4129 
   H 122    3.9399     1.4155     3.8917     2.1829     5.9239     2.9561 
   H 123    4.5875     2.1829     3.1022     1.4156     6.5860     3.5889 
   H 124    3.1671     1.5969     4.0506     2.4059     5.1441     2.1944 
   H 125    2.4267     1.0813     4.8281     3.1512     4.4225     1.4332 
   H 126    4.8385     3.1513     2.4059     1.0812     6.7707     3.8982 
   H 127    4.0630     2.4060     3.1512     1.5967     6.0148     3.1102 
   H 128    2.2146     0.6201     5.2330     3.5191     4.2029     1.2347 
   H 129    0.6200     3.1512     7.8279     6.1774     1.4332     1.5967 
   H 130    0.6200     2.4059     7.2795     5.5908     2.1944     1.0812 
   H 131    5.3983     3.1021     2.1829     0.6200     7.3967     4.3997 
   H 132    6.1176     3.8917     1.4156     0.6200     8.1090     5.1245 
   H 133    6.1257     4.4727     1.4158     1.4158     8.0178     5.2100 
   H 134    1.8397     1.4158     6.6018     4.8708     3.4849     1.4158 
   H 135   22.0549    20.2286    15.0325    16.7645    23.8865    21.1505 
   H 136   22.2195    20.4716    15.2809    17.0107    24.0197    21.3327 
   H 137   21.3624    19.6361    14.4498    16.1778    23.1561    20.4799 
   H 138    2.2901     4.3433     9.3512     7.6540     1.4158     3.1408 
   H 139    1.2347     3.3800     8.2973     6.6109     1.4158     2.0699 
   H 140    4.8708     2.2900     4.8212     3.3533     6.7056     4.0130 

              C  61      C  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   C  61    0.0000 
   C  62   19.9750     0.0000 
   H  63   20.8140     9.9179     0.0000 
   H  64   21.8125    12.1510     2.2400     0.0000 
   H  65   20.4364     9.7635     0.3800     2.4522     0.0000 
   H  66   19.1928    11.2555     2.4522     2.6200     2.2400     0.0000 
   H  67   21.8500    12.4649     2.5483     0.3315     2.7423     2.6803 
   H  68   18.6662    10.0062     2.2279     3.4017     1.8776     1.2869 
   H  69   17.9498    10.2785     3.0175     3.9640     2.6726     1.4767 
   H  70   22.8531    11.7024     2.2901     1.4674     2.6457     3.7759 
   H  71   20.8960     9.3255     0.6582     2.8292     0.7600     3.0000 
   H  72   19.0579     8.9814     1.8397     3.7058     1.4674     2.2901 
   H  73   21.2364    13.5020     3.7058     1.8396     3.7759     2.6457 
   H  74   20.4127     7.9825     1.9418     4.1685     1.8414     3.8414 
   H  75   19.6872     8.3094     1.7732     3.9665     1.5143     3.1408 
   H  76   20.2012     9.1132     0.8982     3.0986     0.6533     2.6422 
   H  77   17.3800    11.2927     4.0130     4.4422     3.7058     1.8397 
   H  78   24.0080    14.0480     4.3935     2.3868     4.6864     4.9027 
   H  79   24.6200    13.8811     4.5380     2.8292     4.8708     5.4400 
   H  80   24.0080    13.0164     3.6980     2.2092     4.0417     4.8188 
   H  81   21.0320     7.1975     2.9436     5.0728     2.9280     5.0105 
   H  82   21.7422     6.7959     3.7980     5.8080     3.8358     5.9770 
   H  83    8.2506    11.7375    14.3335    15.8864    13.9604    13.4008 
   H  84    7.4597    12.5339    14.9465    16.4416    14.5710    13.9252 
   H  85    6.5469    13.5338    14.8092    16.1166    14.4295    13.5352 
   H  86    7.3421    12.7458    14.1416    15.5054    13.7626    12.9418 
   H  87    8.2754    11.8230    13.3766    14.8110    12.9989    12.2752 
   H  88    9.0712    11.0380    12.7423    14.2407    12.3664    11.7359 
   H  89    6.5339    13.4681    15.6866    17.1171    15.3092    14.5719 
   H  90    5.7470    14.2646    16.3333    17.7117    15.9548    15.1470 
   H  91    9.9726    10.0075    13.0702    14.7566    12.7048    12.3621 
   H  92    9.1797    10.8036    13.6388    15.2625    13.2693    12.8215 
   H  93    4.8210    15.2495    16.3001    17.4965    15.9202    14.8903 
   H  94    5.6148    14.4594    15.6078    16.8534    15.2279    14.2566 
   H  95   10.0050    10.1195    12.0230    13.6009    11.6503    11.1427 
   H  96   10.8013     9.3390    11.4344    13.0835    11.0657    10.6757 
   H  97    4.8282    15.1990    17.1081    18.4287    16.7287    15.8461 
   H  98    4.0507    15.9956    17.7808    19.0548    17.4010    16.4607 
   H  99   11.6976     8.2784    11.9252    13.7528    11.5729    11.4919 
   H 100   10.9035     9.0740    12.4353    14.1973    12.0762    11.8689 
   H 101    3.1021    16.9684    17.8347    18.9343    17.4555    16.3170 
   H 102    3.8917    16.1770    17.1238    18.2663    16.7442    15.6528 
   H 103   11.7354     8.4275    10.7783    12.5141    10.4158    10.1804 
   H 104   12.5319     7.6549    10.2532    12.0648     9.8980     9.8088 
   H 105   23.1488     8.3563     3.6531     5.1594     3.8556     6.0910 
   H 106   23.9016     8.4158     4.5048     5.8809     4.7206     6.9508 
   H 107   23.4713     7.5460     4.7700     6.3905     4.9267     7.1637 
   H 108    3.1513    16.9301    18.5824    19.8049    18.2024    17.2006 
   H 109    2.4059    17.7268    19.2753    20.4565    18.8954    17.8458 
   H 110   13.4244     6.5507    10.9358    12.9042    10.6044    10.8307 
   H 111   12.6296     7.3455    11.3691    13.2734    11.0269    11.1063 
   H 112    1.4155    18.6897    19.4025    20.4178    19.0246    17.7979 
   H 113    2.1829    17.8973    18.6774    19.7301    18.2988    17.1105 
   H 114   23.2900     5.7415     6.4586     8.3334     6.5242     8.6784 
   H 115   23.4530     6.6018     5.7073     7.4716     5.8142     8.0196 
   H 116   13.4663     6.7558     9.6846    11.5855     9.3408     9.4403 
   H 117   14.2629     5.9981     9.2470    11.2223     8.9157     9.1898 
   H 118   21.1756     4.0507     6.3089     8.4643     6.2433     8.1223 
   H 119   21.6591     4.8282     5.8100     7.9060     5.7842     7.7749 
   H 120    1.5969    18.6614    20.0979    21.2333    19.7182    18.6177 
   H 121    1.0813    19.4582    20.8067    21.9054    20.4273    19.2871 
   H 122   18.6107     1.4332     9.3666    11.6044     9.1660    10.4415 
   H 123   17.8147     2.1943     9.4401    11.6637     9.2126    10.3339 
   H 124   18.6600     2.3452     7.9151    10.1529     7.7154     9.0309 
   H 125   19.4569     2.0295     7.9151    10.1529     7.7493     9.2290 
   H 126   16.9286     3.5889     8.1872    10.3664     7.9226     8.8362 
   H 127   17.7254     2.9562     8.0167    10.2323     7.7802     8.8844 
   H 128   19.9190     1.6200     8.3053    10.5357     8.1580     9.7100 
   H 129   22.3192     3.8917     7.4941     9.5665     7.4729     9.4515 
   H 130   21.8819     3.1021     7.9742    10.1014     7.9212     9.8099 
   H 131   16.8813     3.1102     9.6101    11.8017     9.3539    10.2852 
   H 132   16.0856     3.8981     9.8232    11.9760     9.5453    10.3107 
   H 133   15.6008     4.8213     8.4981    10.5830     8.1935     8.7718 
   H 134   21.3238     1.8397     8.9814    11.1631     8.8882    10.6367 
   H 135    0.6200    20.2515    21.3171    22.3469    20.9387    19.7269 
   H 136    0.6200    20.5355    21.1866    22.1369    20.8100    19.5192 
   H 137    0.6200    19.7142    20.3174    21.2827    19.9406    18.6640 
   H 138   23.9492     4.8212     8.6825    10.6120     8.7178    10.8101 
   H 139   22.8768     3.9755     8.1293    10.1644     8.1237    10.1334 
   H 140   19.2319     1.4158    11.0000    13.2400    10.8150    12.1439 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    3.5627     0.0000 
   H  69    4.0777     0.7971     0.0000 
   H  70    1.7000     4.2029     4.9034     0.0000 
   H  71    3.1487     2.5377     3.3326     2.6111     0.0000 
   H  72    3.9460     1.1540     1.7992     4.1077     1.8397     0.0000 
   H  73    1.5504     3.8679     4.1067     3.2400     4.3589     4.6200 
   H  74    4.4836     2.9558     3.6569     3.8839     1.3470     1.8608 
   H  75    4.2545     2.1322     2.7986     4.0016     1.4158     1.0000 
   H  76    3.3928     1.9515     2.7306     3.1580     0.6950     1.1467 
   H  77    4.4700     1.9204     1.2046     5.6083     4.4187     3.0000 
   H  78    2.2376     5.7856     6.3152     2.3470     4.8517     6.0474 
   H  79    2.7700     6.1910     6.7888     2.2901     4.9003     6.3006 
   H  80    2.2376     5.4599     6.0998     1.4245     4.0348     5.4888 
   H  81    5.4001     4.1202     4.7982     4.5048     2.2901     3.0000 
   H  82    6.1393     5.1176     5.7981     5.0431     3.1408     4.0000 
   H  83   16.0231    12.4900    11.9511    16.5840    14.2255    12.4939 
   H  84   16.5674    13.0553    12.4900    17.1818    14.8606    13.1076 
   H  85   16.2108    12.7897    12.1555    16.9798    14.7979    12.9902 
   H  86   15.6099    12.1555    11.5414    16.3324    14.1111    12.3148 
   H  87   14.9285    11.4375    10.8515    15.5908    13.3213    11.5423 
   H  88   14.3701    10.8515    10.2939    14.9756    12.6635    10.9039 
   H  89   17.2310    13.7477    13.1555    17.9028    15.6245    13.8512 
   H  90   17.8160    14.3597    13.7477    18.5325    16.2898    14.5027 
   H  91   14.9188    11.3578    10.8899    15.3477    12.9076    11.2400 
   H  92   15.4126    11.8608    11.3578    15.9051    13.5025    11.8020 
   H  93   17.5705    14.2246    13.5556    18.4270    16.3248    14.5006 
   H  94   16.9363    13.5556    12.9013    17.7546    15.6168    13.7990 
   H  95   13.7452    10.2007     9.6827    14.2770    11.9137    10.1835 
   H  96   13.2412     9.6827     9.2047    13.7036    11.2962     9.5987 
   H  97   18.5223    15.0997    14.4674    19.2870    17.0846    15.2845 
   H  98   19.1400    15.7469    15.0997    19.9423    17.7730    15.9640 
   H  99   13.9427    10.3923    10.0176    14.2152    11.6982    10.1281 
   H 100   14.3742    10.8129    10.3923    14.7219    12.2392    10.6192 
   H 101   18.9908    15.7194    15.0252    19.9197    17.8891    16.0557 
   H 102   18.3305    15.0252    14.3416    19.2278    17.1652    15.3353 
   H 103   12.6885     9.1265     8.7037    13.0610    10.6026     8.9545 
   H 104   12.2541     8.7037     8.3359    12.5423    10.0422     8.4484 
   H 105    5.4809     5.5565     6.3282     4.0511     3.0986     4.6036 
   H 106    6.1938     6.4333     7.2047     4.6695     3.9665     5.4752 
   H 107    6.7137     6.4998     7.2392     5.2883     4.1685     5.4575 
   H 108   19.8808    16.5227    15.8602    20.7236    18.5915    16.7742 
   H 109   20.5249    17.1967    16.5227    21.3994    19.2977    17.4748 
   H 110   13.1237     9.6436     9.3868    13.2133    10.6343     9.2097 
   H 111   13.4792     9.9578     9.6437    13.6562    11.1030     9.6045 
   H 112   20.4593    17.2587    16.5456    21.4484    19.4818    17.6439 
   H 113   19.7782    16.5456    15.8405    20.7409    18.7457    16.9095 
   H 114    8.6634     7.7896     8.4380     7.3542     5.8080     6.6527 
   H 115    7.7990     7.2283     7.9227     6.4284     5.0728     6.1236 
   H 116   11.7928     8.2784     7.9847    11.9729     9.4284     7.9160 
   H 117   11.4452     7.9846     7.7620    11.5252     8.9491     7.5244 
   H 118    8.7915     7.0184     7.5212     7.8195     5.6658     5.8747 
   H 119    8.2361     6.7420     7.3076     7.1750     5.1555     5.5881 
   H 120   21.2936    18.0000    17.3143    22.2024    20.1346    18.3067 
   H 121   21.9591    18.6945    18.0000    22.8949    20.8547    19.0234 
   H 122   11.9047     9.1651     9.3486    11.3205     8.8210     8.2184 
   H 123   11.9540     9.0484     9.1652    11.4792     8.9283     8.1662 
   H 124   10.4535     7.7619     7.9846     9.8807     7.3710     6.7898 
   H 125   10.4635     7.9846     8.2784     9.7669     7.3354     6.9526 
   H 126   10.6399     7.5504     7.5996    10.3377     7.7365     6.7544 
   H 127   10.5191     7.5995     7.7311    10.0931     7.5211     6.7154 
   H 128   10.8508     8.4786     8.7983    10.0843     7.7087     7.4252 
   H 129    9.8975     8.3923     8.9269     8.7703     6.8382     7.2409 
   H 130   10.4306     8.6957     9.1781     9.3788     7.3256     7.5562 
   H 131   12.0786     9.0000     9.0353    11.7317     9.1416     8.2037 
   H 132   12.2404     9.0352     9.0001    12.0005     9.3934     8.3191 
   H 133   10.8310     7.5122     7.4198    10.7365     8.1292     6.8857 
   H 134   11.4883     9.4573     9.8590    10.5357     8.3485     8.3507 
   H 135   22.3890    19.1801    18.4703    23.3725    21.3876    19.5513 
   H 136   22.1665    19.0246    18.2988    23.2012    21.2838    19.4444 
   H 137   21.3154    18.1589    17.4358    22.3389    20.4114    18.5722 
   H 138   10.9426     9.8313    10.4190     9.6437     8.0261     8.6784 
   H 139   10.4959     9.0901     9.6343     9.3120     7.4716     7.9373 
   H 140   13.5457    10.8699    11.0588    12.8866    10.4352     9.9098 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    5.6146     0.0000 
   H  75    5.1927     0.8768     0.0000 
   H  76    4.4106     1.2400     0.8768     0.0000 
   H  77    4.0601     4.8522     4.0000     3.8670     0.0000 
   H  78    2.9170     6.1748     6.1664     5.2915     6.6490     0.0000 
   H  79    3.7058     6.1664     6.2815     5.4252     7.2400     0.8768 
   H  80    3.4624     5.2915     5.4252     4.5767     6.6490     1.2400 
   H  81    6.6486     1.1752     2.0000     2.3826     6.0000     6.8507 
   H  82    7.4715     2.1650     3.0000     3.3363     7.0000     7.3747 
   H  83   15.9024    13.4197    12.8574    13.5554    11.8513    18.2596 
   H  84   16.3889    14.0900    13.5057    14.1846    12.3298    18.8050 
   H  85   15.8788    14.1613    13.5015    14.1077    11.8368    18.4379 
   H  86   15.3312    13.4432    12.7992    13.4236    11.2765    17.8426 
   H  87   14.7179    12.6130    11.9904    12.6381    10.6578    17.1653 
   H  88   14.2227    11.9174    11.3163    11.9853    10.1686    16.6076 
   H  89   16.9895    14.8923    14.2854    14.9431    12.9311    19.4669 
   H  90   17.5248    15.5879    14.9641    15.6048    13.4738    20.0483 
   H  91   14.9374    12.0164    11.5132    12.2558    10.9405    17.1426 
   H  92   15.3648    12.6521    12.1195    12.8412    11.3359    17.6443 
   H  93   17.1364    15.7479    15.0603    15.6312    13.1389    19.7803 
   H  94   16.5470    15.0137    14.3380    14.9244    12.5268    19.1548 
   H  95   13.6783    11.1190    10.5475    11.2434     9.6472    15.9794 
   H  96   13.2486    10.4562     9.9146    10.6349     9.2542    15.4683 
   H  97   18.1770    16.4157    15.7744    16.3964    14.1411    20.7486 
   H  98   18.7520    17.1300    16.4756    17.0826    14.7331    21.3598 
   H  99   14.1197    10.7099    10.2856    11.0751    10.2438    16.1345 
   H 100   14.4761    11.2969    10.8334    11.6013    10.5348    16.5836 
   H 101   18.4710    17.3623    16.6533    17.1942    14.5310    21.1794 
   H 102   17.8484    16.6164    15.9166    16.4707    13.8809    20.5292 
   H 103   12.7896     9.7045     9.2048     9.9552     8.8627    14.9008 
   H 104   12.4405     9.0906     8.6337     9.4105     8.5955    14.4472 
   H 105    6.9693     2.8451     3.6942     3.6056     7.4721     6.2450 
   H 106    7.7106     3.6942     4.5539     4.4823     8.3485     6.7399 
   H 107    8.1905     3.6056     4.4823     4.5805     8.4182     7.4547 
   H 108   19.4464    17.9768    17.3087    17.8993    15.4509    22.0919 
   H 109   20.0539    18.7054    18.0268    18.6044    16.0806    22.7277 
   H 110   13.4762     9.5398     9.2214    10.0555     9.8069    15.2570 
   H 111   13.7490    10.0582     9.6872    10.5016     9.9730    15.6432 
   H 112   19.8670    18.9975    18.2716    18.7869    15.9897    22.6246 
   H 113   19.2178    18.2428    17.5242    18.0508    15.3114    21.9544 
   H 114   10.0724     4.8545     5.6585     6.0376     9.6425     9.5806 
   H 115    9.2441     4.2732     5.1243     5.3851     9.1224     8.6218 
   H 116   12.0853     8.4097     8.0130     8.8205     8.3683    13.9545 
   H 117   11.8325     7.8706     7.5353     8.3673     8.2536    13.5712 
   H 118   10.0093     4.4028     4.9842     5.6343     8.6904    10.1603 
   H 119    9.5144     3.9671     4.6430     5.2067     8.4993     9.5034 
   H 120   20.7828    19.5668    18.8772    19.4404    16.8372    23.4861 
   H 121   21.4168    20.3063    19.6083    20.1601    17.4958    24.1424 
   H 122   12.8191     7.4785     7.6653     8.5134    10.2907    13.6434 
   H 123   12.7857     7.6029     7.6995     8.5653    10.0449    13.7764 
   H 124   11.3794     6.0299     6.2166     7.0626     8.9702    12.1986 
   H 125   11.4773     5.9888     6.2851     7.0975     9.3190    12.1054 
   H 126   11.3584     6.4664     6.4162     7.2929     8.4253    12.5743 
   H 127   11.3352     6.2096     6.2659     7.1358     8.6373    12.3727 
   H 128   11.9081     6.3674     6.7182     7.5096     9.8556    12.4294 
   H 129   11.1962     5.6549     6.3135     6.8948    10.1065    11.0744 
   H 130   11.6790     6.0832     6.6728     7.3181    10.3347    11.7022 
   H 131   12.8097     7.8500     7.8432     8.7191     9.8315    13.9888 
   H 132   12.8839     8.1399     8.0500     8.9259     9.7171    14.2161 
   H 133   11.3782     6.9560     6.7389     7.6021     8.0878    12.8797 
   H 134   12.6640     7.0507     7.5415     8.2599    10.9688    12.8749 
   H 135   21.7943    20.8808    20.1651    20.6927    17.9196    24.5545 
   H 136   21.5174    20.8291    20.0924    20.5895    17.6981    24.3101 
   H 137   20.6820    19.9530    19.2173    19.7170    16.8460    23.4651 
   H 138   12.3328     6.9694     7.7106     8.1906    11.6144    11.8584 
   H 139   11.8231     6.3197     7.0001     7.5579    10.8167    11.5921 
   H 140   14.4980     9.0884     9.3255    10.1617    11.9969    15.2235 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    0.8768     0.0000 
   H  81    6.7066     5.8349     0.0000 
   H  82    7.1231     6.2731     1.0000     0.0000 
   H  83   18.6776    17.9210    13.7747    14.3163     0.0000 
   H  84   19.2463    18.5031    14.4774    15.0396     0.7971     0.0000 
   H  85   18.9439    18.2449    14.6759    15.3273     2.2064     1.6888 
   H  86   18.3282    17.6152    13.9337    14.5709     1.6889     1.4515 
   H  87   17.6247    16.8945    13.0714    13.6896     1.4515     1.6888 
   H  88   17.0424    16.2972    12.3446    12.9442     1.6888     2.2063 
   H  89   19.9332    19.2056    15.3134    15.8970     1.7321     0.9350 
   H  90   20.5343    19.8197    16.0348    16.6346     2.5292     1.7320 
   H  91   17.5036    16.7173    12.2875    12.7749     1.7320     2.5292 
   H  92   18.0327    17.2601    12.9643    13.4785     0.9349     1.7320 
   H  93   20.3251    19.6553    16.3065    16.9837     3.6919     2.9753 
   H  94   19.6826    18.9997    15.5534    16.2195     2.9753     2.3121 
   H  95   16.3826    15.6195    11.5039    12.0783     2.3120     2.9752 
   H  96   15.8419    15.0634    10.7995    11.3487     2.9752     3.6917 
   H  97   21.2559    20.5560    16.8896    17.5064     3.4641     2.6670 
   H  98   21.8838    21.1961    17.6249    18.2546     4.2612     3.4641 
   H  99   16.4285    15.6133    10.8730    11.2888     3.4641     4.2612 
   H 100   16.9097    16.1076    11.5132    11.9645     2.6670     3.4641 
   H 101   21.7566    21.1137    17.9561    18.6539     5.3283     4.5664 
   H 102   21.0922    20.4372    17.1950    17.8838     4.5665     3.8190 
   H 103   15.2364    14.4400     9.9910    10.5055     3.8189     4.5664 
   H 104   14.7474    13.9361     9.3204     9.7997     4.5664     5.3282 
   H 105    5.8405     5.0501     2.1342     1.7346    15.9002    16.6070 
   H 106    6.2450     5.5129     2.8736     2.2400    16.5503    17.2696 
   H 107    7.0104     6.2450     2.5889     1.7346    15.9874    16.7201 
   H 108   22.6339    21.9600    18.4938    19.1372     5.1962     4.3990 
   H 109   23.2839    22.6214    19.2394    19.8935     5.9933     5.1962 
   H 110   15.4731    14.6315     9.5636     9.8832     5.1961     5.9932 
   H 111   15.8965    15.0666    10.1505    10.5180     4.3990     5.1962 
   H 112   23.2291    22.6106    19.6200    20.3344     7.0109     6.2332 
   H 113   22.5469    21.9174    18.8528    19.5599     6.2332     5.4611 
   H 114    9.1652     8.3852     3.6793     2.7014    15.4662    16.2336 
   H 115    8.1854     7.4165     3.1269     2.1302    15.7726    16.5257 
   H 116   14.2094    13.3813     8.5615     8.9913     5.4610     6.2331 
   H 117   13.7843    12.9430     7.9442     8.3231     6.2331     7.0108 
   H 118    9.9216     9.0709     3.3915     2.7986    13.2812    14.0537 
   H 119    9.2281     8.3875     2.8665     2.1323    13.8533    14.6174 
   H 120   24.0577    23.4080    20.1191    20.7844     6.9282     6.1311 
   H 121   24.7261    24.0870    20.8729    21.5470     7.7253     6.9282 
   H 122   13.5639    12.6887     6.8692     6.6634    10.3923    11.1894 
   H 123   13.7469    12.8701     7.1043     7.0048     9.5952    10.3923 
   H 124   12.1320    11.2559     5.4531     5.3181    10.5612    11.3513 
   H 125   11.9820    11.1104     5.2756     4.9996    11.3513    12.1423 
   H 126   12.6264    11.7538     6.1852     6.3089     8.8487     9.6359 
   H 127   12.3712    11.4949     5.7957     5.8099     9.6359    10.4246 
   H 128   12.2705    11.4039     5.5797     5.2090    11.7768    12.5707 
   H 129   10.7436     9.9243     4.5519     3.7617    14.3035    15.0882 
   H 130   11.4055    10.5737     5.0385     4.3378    13.8002    14.5902 
   H 131   14.0163    13.1414     7.4796     7.4940     8.6602     9.4574 
   H 132   14.2905    13.4199     7.8735     7.9742     7.8632     8.6603 
   H 133   13.0202    12.1610     6.8857     7.1703     7.5657     8.3466 
   H 134   12.6201    11.7753     6.0954     5.5040    13.1456    13.9417 
   H 135   25.1588    24.5389    21.4800    22.1759     8.5141     7.7181 
   H 136   24.9358    24.3375    21.4696    22.1938     8.8238     8.0360 
   H 137   24.0851    23.4815    20.5929    21.3178     8.0266     7.2452 
   H 138   11.4195    10.6545     5.8080     4.8861    15.8751    16.6651 
   H 139   11.2241    10.4213     5.1962     4.3590    14.8120    15.6010 
   H 140   15.1015    14.2304     8.3955     8.0774    10.9836    11.7724 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    0.7971     0.0000 
   H  87    1.7320     0.9350     0.0000 
   H  88    2.5291     1.7320     0.7971     0.0000 
   H  89    1.4514     1.6888     2.3120     2.9752     0.0000 
   H  90    1.6888     2.2063     2.9752     3.6917     0.7971     0.0000 
   H  91    3.6918     2.9753     2.2064     1.6889     3.4641     4.2612 
   H  92    2.9752     2.3121     1.6888     1.4515     2.6670     3.4641 
   H  93    1.7321     2.5292     3.4641     4.2612     2.2064     1.6889 
   H  94    0.9350     1.7320     2.6670     3.4641     1.6888     1.4515 
   H  95    3.4641     2.6670     1.7320     0.9350     3.8189     4.5664 
   H  96    4.2611     3.4641     2.5291     1.7320     4.5664     5.3282 
   H  97    2.3120     2.9752     3.8189     4.5664     1.7320     0.9350 
   H  98    2.9752     3.6917     4.5664     5.3282     2.5291     1.7320 
   H  99    5.3283     4.5664     3.6918     2.9753     5.1962     5.9932 
   H 100    4.5664     3.8190     2.9753     2.3122     4.3991     5.1962 
   H 101    3.4641     4.2612     5.1962     5.9932     3.6918     2.9753 
   H 102    2.6671     3.4641     4.3991     5.1962     2.9753     2.3122 
   H 103    5.1961     4.3990     3.4641     2.6670     5.4610     6.2331 
   H 104    5.9932     5.1962     4.2612     3.4641     6.2331     7.0108 
   H 105   16.8082    16.0674    15.2056    14.4781    17.4460    18.1686 
   H 106   17.5239    16.7745    15.9012    15.1626    18.1216    18.8542 
   H 107   17.0433    16.2828    15.3954    14.6436    17.5867    18.3308 
   H 108    3.8189     4.5664     5.4610     6.2331     3.4641     2.6670 
   H 109    4.5664     5.3282     6.2331     7.0108     4.2612     3.4641 
   H 110    7.0108     6.2332     5.3283     4.5664     6.9282     7.7253 
   H 111    6.2332     5.4611     4.5664     3.8190     6.1311     6.9282 
   H 112    5.1962     5.9932     6.9282     7.7253     5.3283     4.5664 
   H 113    4.3991     5.1962     6.1311     6.9282     4.5664     3.8190 
   H 114   16.7654    15.9804    15.0611    14.2791    17.1372    17.9101 
   H 115   16.9632    16.1877    15.2810    14.5108    17.4142    18.1753 
   H 116    6.9282     6.1311     5.1962     4.3991     7.1458     7.9279 
   H 117    7.7253     6.9282     5.9932     5.1962     7.9279     8.7128 
   H 118   14.6365    13.8467    12.9214    12.1337    14.9631    15.7408 
   H 119   15.1353    14.3508    13.4325    12.6515    15.5178    16.2884 
   H 120    5.4610     6.2331     7.1457     7.9279     5.1961     4.3990 
   H 121    6.2331     7.0108     7.9279     8.7128     5.9932     5.1962 
   H 122   12.1423    11.3513    10.4247     9.6360    12.1244    12.9214 
   H 123   11.3513    10.5613     9.6360     8.8489    11.3273    12.1244 
   H 124   12.1243    11.3272    10.3923     9.5952    12.2791    13.0710 
   H 125   12.9214    12.1244    11.1894    10.3923    13.0710    13.8635 
   H 126   10.3923     9.5952     8.6602     7.8632    10.5612    11.3513 
   H 127   11.1893    10.3923     9.4573     8.6602    11.3513    12.1422 
   H 128   13.3936    12.5969    11.6623    10.8656    13.5023    14.2969 
   H 129   15.7723    14.9774    14.0453    13.2510    16.0102    16.7973 
   H 130   15.3394    14.5427    13.6081    12.8115    15.5177    16.3091 
   H 131   10.4247     9.6360     8.7128     7.9280    10.3923    11.1894 
   H 132    9.6360     8.8489     7.9280     7.1459     9.5953    10.3923 
   H 133    9.0599     8.2630     7.3282     6.5313     9.2660    10.0521 
   H 134   14.8127    14.0168    13.0834    12.2879    14.8757    15.6720 
   H 135    6.9141     7.7035     8.6312     9.4232     6.7849     5.9897 
   H 136    7.0685     7.8654     8.8002     9.5971     7.1147     6.3323 
   H 137    6.2200     7.0171     7.9520     8.7490     6.3339     5.5631 
   H 138   17.4047    16.6083    15.6743    14.8781    17.5926    18.3839 
   H 139   16.3318    15.5355    14.6016    13.8055    16.5274    17.3180 
   H 140   12.8997    12.1274    11.2259    10.4621    12.6988    13.4896 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92    0.7971     0.0000 
   H  93    5.3283     4.5664     0.0000 
   H  94    4.5664     3.8190     0.7971     0.0000 
   H  95    1.4515     1.6888     5.1962     4.3990     0.0000 
   H  96    1.6888     2.2063     5.9932     5.1961     0.7971     0.0000 
   H  97    5.1962     4.3990     1.4515     1.6888     5.4610     6.2331 
   H  98    5.9932     5.1961     1.6888     2.2063     6.2331     7.0108 
   H  99    1.7320     2.5292     7.0109     6.2332     2.2064     1.6889 
   H 100    0.9350     1.7321     6.2332     5.4611     1.6889     1.4516 
   H 101    7.0109     6.2332     1.7320     2.5292     6.9282     7.7253 
   H 102    6.2332     5.4611     0.9350     1.7321     6.1311     6.9282 
   H 103    2.3120     2.9752     6.9282     6.1311     1.7320     0.9350 
   H 104    2.9752     3.6918     7.7253     6.9282     2.5292     1.7321 
   H 105   14.3969    15.0826    18.4343    17.6835    13.6346    12.9255 
   H 106   15.0145    15.7162    19.1659    18.4082    14.3041    13.5803 
   H 107   14.4189    15.1363    18.7064    17.9394    13.7683    13.0285 
   H 108    6.9282     6.1311     2.3120     2.9752     7.1457     7.9279 
   H 109    7.7253     6.9282     2.9752     3.6918     7.9279     8.7128 
   H 110    3.4641     4.2612     8.7128     7.9279     3.6918     2.9753 
   H 111    2.6670     3.4641     7.9280     7.1458     2.9753     2.3122 
   H 112    8.7128     7.9279     3.4641     4.2612     8.6602     9.4573 
   H 113    7.9280     7.1458     2.6670     3.4641     7.8632     8.6602 
   H 114   13.8103    14.5702    18.4748    17.6876    13.3640    12.5862 
   H 115   14.1526    14.8950    18.6545    17.8752    13.6113    12.8485 
   H 116    3.8189     4.5664     8.6603     7.8632     3.4641     2.6671 
   H 117    4.5664     5.3282     9.4574     8.6602     4.2612     3.4641 
   H 118   11.6141    12.3791    16.3553    15.5639    11.2115    10.4270 
   H 119   12.2078    12.9623    16.8441    16.0571    11.7382    10.9625 
   H 120    8.6602     7.8631     3.8189     4.5664     8.8487     9.6359 
   H 121    9.4574     8.6602     4.5664     5.3282     9.6359    10.4246 
   H 122    8.6602     9.4574    13.8635    13.0711     8.7128     7.9280 
   H 123    7.8632     8.6603    13.0711    12.2792     7.9280     7.1459 
   H 124    8.8487     9.6359    13.8564    13.0593     8.6602     7.8632 
   H 125    9.6359    10.4247    14.6535    13.8564     9.4574     8.6603 
   H 126    7.1457     7.9279    12.1244    11.3272     6.9282     6.1311 
   H 127    7.9279     8.7128    12.9214    12.1243     7.7253     6.9282 
   H 128   10.0535    10.8462    15.1252    14.3283     9.9312     9.1347 
   H 129   12.6038    13.3850    17.5003    16.7050    12.3197    11.5262 
   H 130   12.0869    12.8747    17.0708    16.2740    11.8772    11.0807 
   H 131    6.9282     7.7253    12.1424    11.3513     7.0109     6.2332 
   H 132    6.1311     6.9283    11.3514    10.5613     6.2332     5.4612 
   H 133    5.8839     6.6547    10.7918     9.9948     5.5966     4.7998 
   H 134   11.4161    12.2119    16.5426    15.7464    11.3550    10.5600 
   H 135   10.2442     9.4479     5.2068     5.9907    10.3533    11.1468 
   H 136   10.5404     9.7497     5.3371     6.1338    10.5320    11.3289 
   H 137    9.7330     8.9465     4.4881     5.2851     9.6840    10.4810 
   H 138   14.1612    14.9495    19.1354    18.3389    13.9442    13.1483 
   H 139   13.1010    13.8878    18.0624    17.2659    12.8719    12.0762 
   H 140    9.2748    10.0602    14.5871    13.8091     9.5729     8.8224 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    0.7971     0.0000 
   H  99    6.9282     7.7253     0.0000 
   H 100    6.1311     6.9282     0.7971     0.0000 
   H 101    2.2064     1.6889     8.7128     7.9280     0.0000 
   H 102    1.6889     1.4516     7.9280     7.1459     0.7971     0.0000 
   H 103    7.1457     7.9279     1.4515     1.6888     8.6602     7.8632 
   H 104    7.9279     8.7128     1.6888     2.2063     9.4574     8.6603 
   H 105   19.0239    19.7587    12.9509    13.6081    20.0781    19.3197 
   H 106   19.7198    20.4627    13.5261    14.2042    20.8224    20.0585 
   H 107   19.2090    19.9617    12.8923    13.5887    20.3810    19.6091 
   H 108    1.7320     0.9350     8.6602     7.8632     1.4515     1.6888 
   H 109    2.5292     1.7321     9.4574     8.6603     1.6888     2.2063 
   H 110    8.6602     9.4573     1.7320     2.5291    10.4247     9.6360 
   H 111    7.8632     8.6602     0.9350     1.7320     9.6360     8.8489 
   H 112    3.6918     2.9753    10.4247     9.6360     1.7320     2.5291 
   H 113    2.9753     2.3122     9.6360     8.8489     0.9350     1.7320 
   H 114   18.8192    19.5962    12.1756    12.9247    20.1881    19.3993 
   H 115   19.0718    19.8389    12.5625    13.2898    20.3527    19.5704 
   H 116    8.8488     9.6359     2.3120     2.9752    10.3923     9.5953 
   H 117    9.6359    10.4246     2.9752     3.6917    11.1894    10.3923 
   H 118   16.6553    17.4367     9.9691    10.7227    18.0765    17.2841 
   H 119   17.1955    17.9711    10.5899    11.3303    18.5572    17.7684 
   H 120    3.4641     2.6670    10.3923     9.5952     2.3120     2.9752 
   H 121    4.2612     3.4641    11.1894    10.3923     2.9752     3.6917 
   H 122   13.8564    14.6535     6.9282     7.7253    15.5871    14.7937 
   H 123   13.0593    13.8564     6.1311     6.9282    14.7937    14.0007 
   H 124   14.0006    14.7936     7.1457     7.9279    15.5884    14.7914 
   H 125   14.7936    15.5871     7.9279     8.7128    16.3856    15.5885 
   H 126   12.2791    13.0710     5.4610     6.2331    13.8564    13.0593 
   H 127   13.0710    13.8634     6.2331     7.0108    14.6535    13.8564 
   H 128   15.2293    16.0244     8.3339     9.1247    16.8568    16.0599 
   H 129   17.7217    18.5106    10.9143    11.6902    19.2291    18.4335 
   H 130   17.2381    18.0306    10.3797    11.1644    18.8023    18.0055 
   H 131   12.1244    12.9214     5.1962     5.9932    13.8635    13.0711 
   H 132   11.3273    12.1244     4.3991     5.1962    13.0711    12.2793 
   H 133   10.9763    11.7654     4.2428     4.9904    12.5237    11.7267 
   H 134   16.6062    17.4026     9.6875    10.4828    18.2729    17.4766 
   H 135    5.0577     4.2642    11.9749    11.1784     3.5239     4.2935 
   H 136    5.4201     4.6496    12.2613    11.4690     3.6062     4.4026 
   H 137    4.6702     3.9246    11.4472    10.6577     2.7563     3.5532 
   H 138   19.3127    20.1049    12.4524    13.2380    20.8664    20.0698 
   H 139   18.2460    19.0377    11.3964    12.1799    19.7932    18.9966 
   H 140   14.4180    15.2102     7.5764     8.3563    16.2838    15.5020 

              H 103      H 104      H 105      H 106      H 107      H 108
              ------------------------------------------------------------------
   H 103    0.0000 
   H 104    0.7971     0.0000 
   H 105   12.1077    11.4247     0.0000 
   H 106   12.7423    12.0393     0.8768     0.0000 
   H 107   12.1701    11.4477     1.2400     0.8768     0.0000 
   H 108    8.8487     9.6359    20.6265    21.3390    20.8489     0.0000 
   H 109    9.6359    10.4247    21.3708    22.0899    21.6085     0.7971 
   H 110    2.2064     1.6888    11.5836    12.1027    11.4245    10.3923 
   H 111    1.6889     1.4515    12.2013    12.7483    12.0913     9.5952 
   H 112   10.3923    11.1894    21.7356    22.4902    22.0644     2.2064 
   H 113    9.5952    10.3923    20.9713    21.7214    21.2887     1.6889 
   H 114   11.6772    10.9057     3.3363     3.0000     2.1650    20.5096 
   H 115   11.9594    11.2073     2.3826     2.0000     1.1752    20.7416 
   H 116    1.7321     0.9350    10.6438    11.2306    10.6140    10.5612 
   H 117    2.5292     1.7320     9.9989    10.5577     9.9175    11.3513 
   H 118    9.5096     8.7303     4.3056     4.4048     3.5526    18.3549 
   H 119   10.0568     9.2893     3.5387     3.6089     2.7556    18.8831 
   H 120   10.5612    11.3513    22.2486    22.9746    22.5027     1.7320 
   H 121   11.3513    12.1423    23.0004    23.7319    23.2676     2.5292 
   H 122    7.0109     6.2332     8.3393     8.5462     7.7097    15.5884 
   H 123    6.2332     5.4611     8.7151     8.9887     8.1753    14.7914 
   H 124    6.9282     6.1311     7.0263     7.3078     6.5033    15.7243 
   H 125    7.7253     6.9282     6.6589     6.8576     6.0230    16.5182 
   H 126    5.1962     4.3990     8.0421     8.4643     7.7296    14.0006 
   H 127    5.9932     5.1961     7.5423     7.9060     7.1393    14.7936 
   H 128    8.2005     7.4042     6.8127     6.9386     6.0832    16.9573 
   H 129   10.5962     9.8040     4.9296     4.7687     3.8967    19.4369 
   H 130   10.1465     9.3502     5.6301     5.5226     4.6468    18.9607 
   H 131    5.3283     4.5664     9.2244     9.5665     8.7825    13.8564 
   H 132    4.5665     3.8190     9.7088    10.1014     9.3429    13.0593 
   H 133    3.8654     3.0690     8.8775     9.3864     8.7090    12.6924 
   H 134    9.6278     8.8336     6.9039     6.8429     5.9661    18.3370 
   H 135   12.0782    12.8727    23.6017    24.3462    23.9020     3.3355 
   H 136   12.2638    13.0609    23.5806    24.3416    23.9251     3.7600 
   H 137   11.4160    12.2131    22.7039    23.4649    23.0493     3.0829 
   H 138   12.2148    11.4191     5.6147     5.1928     4.4107    21.0347 
   H 139   11.1430    10.3476     5.3851     5.1243     4.2732    19.9668 
   H 140    7.9536     7.2260     9.6849     9.7854     8.9208    16.1400 

              H 109      H 110      H 111      H 112      H 113      H 114
              ------------------------------------------------------------------
   H 109    0.0000 
   H 110   11.1894     0.0000 
   H 111   10.3923     0.7971     0.0000 
   H 112    1.6888    12.1423    11.3513     0.0000 
   H 113    1.4515    11.3513    10.5613     0.7971     0.0000 
   H 114   21.2897    10.5720    11.3052    21.9043    21.1142     0.0000 
   H 115   21.5133    11.0153    11.7209    22.0561    21.2716     1.0000 
   H 116   11.3513     1.4514     1.6888    12.1244    11.3273    10.0058 
   H 117   12.1423     1.6888     2.2063    12.9214    12.1244     9.2441 
   H 118   19.1391     8.3593     9.0945    19.7996    19.0064     2.2128 
   H 119   19.6623     9.0145     9.7329    20.2735    19.4833     1.6309 
   H 120    0.9349    12.1243    11.3272     1.4515     1.6888    22.2063 
   H 121    1.7320    12.9214    12.1244     1.6888     2.2063    22.9890 
   H 122   16.3856     5.1962     5.9932    17.3124    16.5183     6.1910 
   H 123   15.5885     4.3991     5.1962    16.5183    15.7245     6.7888 
   H 124   16.5182     5.4610     6.2331    17.3205    16.5234     5.2339 
   H 125   17.3124     6.2331     7.0108    18.1176    17.3205     4.5843 
   H 126   14.7936     3.8189     4.5664    15.5884    14.7914     6.7554 
   H 127   15.5871     4.5664     5.3282    16.3855    15.5884     6.0411 
   H 128   17.7528     6.6208     7.4081    18.5885    17.7916     4.4726 
   H 129   20.2272     9.2405    10.0083    20.9584    20.1625     1.8777 
   H 130   19.7540     8.6824     9.4619    20.5339    19.7370     2.6726 
   H 131   14.6535     3.4641     4.2612    15.5871    14.7937     7.5371 
   H 132   13.8565     2.6671     3.4641    14.7937    14.0007     8.2053 
   H 133   13.4836     2.7169     3.3946    14.2557    13.4587     7.9350 
   H 134   19.1336     7.9604     8.7550    20.0035    19.2070     4.0130 
   H 135    2.5475    13.7059    12.9093     1.9300     2.6420    23.6782 
   H 136    3.0231    13.9850    13.1915     1.8777     2.6726    23.7805 
   H 137    2.4200    13.1661    12.3746     1.0254     1.8217    22.9121 
   H 138   21.8277    10.7509    11.5328    22.5975    21.8008     2.2901 
   H 139   20.7594     9.7015    10.4800    21.5242    20.7275     2.1302 
   H 140   16.9331     5.8977     6.6668    17.9873    17.2027     7.1535 

              H 115      H 116      H 117      H 118      H 119      H 120
              ------------------------------------------------------------------
   H 115    0.0000 
   H 116   10.3337     0.0000 
   H 117    9.5981     0.7971     0.0000 
   H 118    2.7806     7.8209     7.0508     0.0000 
   H 119    2.0284     8.3960     7.6423     0.7971     0.0000 
   H 120   22.4208    12.2791    13.0710    20.0601    20.5780     0.0000 
   H 121   23.1962    13.0710    13.8635    20.8463    21.3600     0.7971 
   H 122    6.9208     5.3283     4.5664     4.1672     4.9605    17.3205 
   H 123    7.4604     4.5664     3.8190     4.6813     5.4581    16.5234 
   H 124    5.8364     5.1961     4.3990     3.0610     3.8150    17.4497 
   H 125    5.2617     5.9932     5.1962     2.4903     3.2788    18.2442 
   H 126    7.2322     3.4641     2.6670     4.5426     5.2154    15.7243 
   H 127    6.5700     4.2611     3.4641     3.8348     4.5426    16.5182 
   H 128    5.2330     6.4705     5.6748     2.5340     3.3298    18.6861 
   H 129    2.8161     8.8759     8.0860     1.4516     1.6889    21.1548 
   H 130    3.5956     8.4164     7.6206     1.6889     2.2064    20.6848 
   H 131    8.1472     3.6918     2.9753     5.3731     6.1230    15.5884 
   H 132    8.7691     2.9753     2.3122     6.0150     6.7407    14.7914 
   H 133    8.3273     2.1355     1.3414     5.7325     6.3474    14.4124 
   H 134    4.9340     7.9028     7.1101     2.7170     3.3947    20.0680 
   H 135   23.8611    13.8050    14.6000    21.5500    22.0477     1.6344 
   H 136   23.9273    13.9958    14.7928    21.6772    22.1498     2.2129 
   H 137   23.0545    13.1481    13.9451    20.8130    21.2815     1.7881 
   H 138    3.2380    10.4862     9.6911     3.1205     3.1205    22.7582 
   H 139    3.1269     9.4151     8.6206     2.1694     2.3585    21.6895 
   H 140    8.0021     6.3937     5.7093     5.3920     6.1817    17.8638 

              H 121      H 122      H 123      H 124      H 125      H 126
              ------------------------------------------------------------------
   H 121    0.0000 
   H 122   18.1176     0.0000 
   H 123   17.3205     0.7971     0.0000 
   H 124   18.2442     1.4515     1.6888     0.0000 
   H 125   19.0389     1.6888     2.2063     0.7971     0.0000 
   H 126   16.5182     2.2064     1.6889     1.7320     2.5292     0.0000 
   H 127   17.3123     1.6889     1.4516     0.9350     1.7321     0.7971 
   H 128   19.4819     1.7254     2.3955     1.3135     0.5869     3.0176 
   H 129   21.9462     4.4926     5.1652     3.7809     3.0298     5.4581 
   H 130   21.4787     3.7846     4.4926     3.2390     2.4518     4.9605 
   H 131   16.3856     1.7320     0.9350     2.3120     2.9752     1.4515 
   H 132   15.5885     2.5291     1.7320     2.9752     3.6917     1.6888 
   H 133   15.2048     3.3947     2.7170     3.0690     3.8654     1.3414 
   H 134   20.8647     2.8161     3.5955     2.7807     2.0285     4.4691 
   H 135    0.8924    18.9002    18.1033    18.9909    19.7870    17.2616 
   H 136    1.6309    19.1652    18.3700    19.1916    19.9887    17.4597 
   H 137    1.5201    18.3376    17.5433    18.3441    19.1412    16.6121 
   H 138   23.5518     5.7571     6.5026     5.3140     4.5254     7.0341 
   H 139   22.4828     4.7791     5.5016     4.2523     3.4692     5.9668 
   H 140   18.6577     1.7102     2.0749     3.1205     3.1205     3.7574 

              H 127      H 128      H 129      H 130      H 131      H 132
              ------------------------------------------------------------------
   H 127    0.0000 
   H 128    2.2280     0.0000 
   H 129    4.6813     2.7751     0.0000 
   H 130    4.1672     2.1012     0.7971     0.0000 
   H 131    1.6888     3.2552     5.9932     5.3551     0.0000 
   H 132    2.2064     4.0148     6.7212     6.1072     0.7971     0.0000 
   H 133    2.1355     4.3589     6.7455     6.2813     2.0355     1.6621 
   H 134    3.6871     1.4674     2.1355     1.3414     4.5177     5.3074 
   H 135   18.0574    20.2392    22.6729    22.2203    17.1686    16.3718 
   H 136   18.2567    20.4564    22.8351    22.4078    17.4374    16.6426 
   H 137   17.4092    19.6131    21.9774    21.5561    16.6121    15.8185 
   H 138    6.2417     4.1416     1.7102     2.0750     7.3908     8.1562 
   H 139    5.1764     3.1166     0.7184     1.0202     6.3718     7.1266 
   H 140    3.3700     2.8736     5.3074     4.5177     2.7466     3.4184 

              H 133      H 134      H 135      H 136      H 137      H 138
              ------------------------------------------------------------------
   H 133    0.0000 
   H 134    5.8081     0.0000 
   H 135   15.9405    21.6327     0.0000 
   H 136   16.1284    21.8673     0.8768     0.0000 
   H 137   15.2787    21.0287     1.2399     0.8768     0.0000 
   H 138    8.3507     3.0000    24.2911    24.4724    23.6187     0.0000 
   H 139    7.2797     2.1385    23.2201    23.3993    22.5453     1.0739 
   H 140    4.7432     3.2380    19.4743    19.8074    19.0066     6.1810 

              H 139      H 140
              ----------------------
   H 139    0.0000 
   H 140    5.3763     0.0000 



ATOMIC CHARGES
   O   1   -0.3414073660
   O   2   -0.3597858001
   O   3   -0.3865048557
   O   4   -0.3653957928
   O   5   -0.3923661850
   O   6   -0.2761109246
   O   7   -0.2729645511
   O   8   -0.2737727473
   O   9   -0.2758191078
   O  10   -0.2739957636
   O  11   -0.2758000280
   O  12   -0.4793271662
   O  13   -0.2489142572
   N  14   -0.3052885202
   N  15   -0.3021470335
   N  16   -0.3024771586
   N  17   -0.3153053846
   N  18   -0.3023571557
   N  19   -0.3277965433
   C  20    0.1108800096
   C  21    0.1023693416
   C  22    0.1114920088
   C  23    0.1129537707
   C  24    0.1776472426
   C  25    0.0730144447
   C  26    0.1320644499
   C  27    0.2103589001
   C  28   -0.0300667630
   C  29    0.2422415756
   C  30    0.0121584465
   C  31    0.0966440222
   C  32   -0.0530569051
   C  33   -0.0530569051
   C  34   -0.0530569051
   C  35   -0.0530569051
   C  36   -0.0530569046
   C  37   -0.0530569051
   C  38   -0.0530567785
   C  39   -0.0530569055
   C  40   -0.0530456806
   C  41   -0.0530570158
   C  42   -0.0526197212
   C  43    0.2336754243
   C  44   -0.0380761008
   C  45   -0.0530653781
   C  46   -0.0447939657
   C  47   -0.0533058792
   C  48    0.0996323603
   C  49    0.0239507787
   C  50   -0.0177276533
   C  51   -0.0559109602
   C  52   -0.0494490039
   C  53   -0.0240520620
   C  54   -0.0373190624
   C  55    0.0260964176
   C  56    0.1202001519
   C  57    0.2130232619
   C  58    0.0115875620
   C  59    0.2308326707
   C  60    0.2137269097
   C  61   -0.0652762791
   C  62    0.3252554862
   H  63    0.0643211459
   H  64    0.0575004445
   H  65    0.0646566551
   H  66    0.0646669824
   H  67    0.0927721468
   H  68    0.0583701581
   H  69    0.0583701581
   H  70    0.1492356861
   H  71    0.0690134010
   H  72    0.2100032644
   H  73    0.2125389000
   H  74    0.0259291073
   H  75    0.0259291073
   H  76    0.0259291073
   H  77    0.2095080306
   H  78    0.0322464411
   H  79    0.0322464411
   H  80    0.0322464411
   H  81    0.1495186664
   H  82    0.0591623110
   H  83    0.0265284525
   H  84    0.0265284525
   H  85    0.0265284525
   H  86    0.0265284525
   H  87    0.0265284525
   H  88    0.0265284525
   H  89    0.0265284525
   H  90    0.0265284525
   H  91    0.0265284525
   H  92    0.0265284525
   H  93    0.0265284525
   H  94    0.0265284525
   H  95    0.0265284530
   H  96    0.0265284530
   H  97    0.0265284525
   H  98    0.0265284525
   H  99    0.0265285744
   H 100    0.0265285744
   H 101    0.0265284521
   H 102    0.0265284521
   H 103    0.0265395220
   H 104    0.0265395220
   H 105    0.0252180986
   H 106    0.0252180986
   H 107    0.0252180986
   H 108    0.0265283458
   H 109    0.0265283458
   H 110    0.0269798767
   H 111    0.0269798767
   H 112    0.0265200490
   H 113    0.0265200490
   H 114    0.0594452998
   H 115    0.1495066794
   H 116    0.0358268349
   H 117    0.0358268349
   H 118    0.0292332745
   H 119    0.0292332745
   H 120    0.0262646413
   H 121    0.0262646413
   H 122    0.0266466466
   H 123    0.0266466466
   H 124    0.0288414757
   H 125    0.0288414757
   H 126    0.0280283946
   H 127    0.0280283946
   H 128    0.0614213584
   H 129    0.0358981375
   H 130    0.0358981375
   H 131    0.0461866357
   H 132    0.0461866357
   H 133    0.1486745565
   H 134    0.1495079669
   H 135    0.0229775121
   H 136    0.0229775121
   H 137    0.0229775121
   H 138    0.1449872568
   H 139    0.1449872568
   H 140    0.2951129793


BOND ANGLES
  23    1   24   C3   O3   C3    119.998
  20    2   26   C3   O3   C3    119.999
  22    3   72   C3   O3   HO    120.001
  24    4   73   C3   O3   HO    119.998
  25    5   77   C3   O3   HO    119.998
  62   12  140   C2   O3   HO    120.002
  21   14   27   C3  Nam   C2    119.998
  21   14   70   C3  Nam   HC    120.002
  27   14   70   C2  Nam   HC    120.000
  29   15   31   C2  Nam   C3    119.999
  29   15   81   C2  Nam   HC    120.001
  31   15   81   C3  Nam   HC    120.001
  43   16   48   C2  Nam   C3    120.001
  43   16  115   C2  Nam   HC    119.998
  48   16  115   C3  Nam   HC    120.001
  57   17   58   C2  Nam   C3    120.001
  57   17  133   C2  Nam   HC    119.997
  58   17  133   C3  Nam   HC    120.002
  56   18   60   C3  Nam   C2    119.998
  56   18  134   C3  Nam   HC    120.002
  60   18  134   C2  Nam   HC    120.000
  59   19  138   C2  Nam   HC    120.000
  59   19  139   C2  Nam   HC    119.998
 138   19  139   HC  Nam   HC    120.002
   2   20   21   O3   C3   C3    119.999
   2   20   22   O3   C3   C3    120.001
   2   20   63   O3   C3   HC     60.002
  21   20   22   C3   C3   C3    120.001
  21   20   63   C3   C3   HC    179.974
  22   20   63   C3   C3   HC     59.998
  14   21   20  Nam   C3   C3    120.001
  14   21   24  Nam   C3   C3    119.998
  14   21   64  Nam   C3   HC     60.003
  20   21   24   C3   C3   C3    120.001
  20   21   64   C3   C3   HC    179.974
  24   21   64   C3   C3   HC     59.995
   3   22   20   O3   C3   C3    120.001
   3   22   23   O3   C3   C3    119.999
   3   22   65   O3   C3   HC     60.002
  20   22   23   C3   C3   C3    120.001
  20   22   65   C3   C3   HC     59.998
  23   22   65   C3   C3   HC    179.974
   1   23   22   O3   C3   C3    120.001
   1   23   25   O3   C3   C3    119.998
   1   23   66   O3   C3   HC     59.995
  22   23   25   C3   C3   C3    120.001
  22   23   66   C3   C3   HC    179.974
  25   23   66   C3   C3   HC     60.003
   1   24    4   O3   C3   O3    120.001
   1   24   21   O3   C3   C3    119.998
   1   24   67   O3   C3   HC    179.974
   4   24   21   O3   C3   C3    120.001
   4   24   67   O3   C3   HC     59.999
  21   24   67   C3   C3   HC     60.002
   5   25   23   O3   C3   C3    119.998
   5   25   68   O3   C3   HC    160.005
   5   25   69   O3   C3   HC     79.998
  23   25   68   C3   C3   HC     79.997
  23   25   69   C3   C3   HC    160.004
  68   25   69   HC   C3   HC     80.007
   2   26   28   O3   C3   C3    120.001
   2   26   29   O3   C3   C2    120.001
   2   26   71   O3   C3   HC     60.002
  28   26   29   C3   C3   C2    119.998
  28   26   71   C3   C3   HC     59.998
  29   26   71   C2   C3   HC    179.974
   6   27   14   O2   C2  Nam    120.001
   6   27   30   O2   C2   C3    120.001
  14   27   30  Nam   C2   C3    119.998
  26   28   74   C3   C3   HC     90.000
  26   28   75   C3   C3   HC    179.974
  26   28   76   C3   C3   HC     90.000
  74   28   75   HC   C3   HC     90.000
  74   28   76   HC   C3   HC    179.974
  75   28   76   HC   C3   HC     90.000
   7   29   15   O2   C2  Nam    120.001
   7   29   26   O2   C2   C3    119.998
  15   29   26  Nam   C2   C3    120.001
  27   30   78   C2   C3   HC     90.000
  27   30   79   C2   C3   HC    179.974
  27   30   80   C2   C3   HC     90.000
  78   30   79   HC   C3   HC     90.000
  78   30   80   HC   C3   HC    179.974
  79   30   80   HC   C3   HC     90.000
  15   31   43  Nam   C3   C2    119.999
  15   31   44  Nam   C3   C3    120.001
  15   31   82  Nam   C3   HC     59.999
  43   31   44   C2   C3   C3    120.001
  43   31   82   C2   C3   HC     59.999
  44   31   82   C3   C3   HC    179.974
  33   32   34   C3   C3   C3    119.998
  33   32   83   C3   C3   HC    160.005
  33   32   84   C3   C3   HC     79.998
  34   32   83   C3   C3   HC     79.997
  34   32   84   C3   C3   HC    160.004
  83   32   84   HC   C3   HC     80.007
  32   33   35   C3   C3   C3    119.998
  32   33   85   C3   C3   HC    160.007
  32   33   86   C3   C3   HC     79.998
  35   33   85   C3   C3   HC     79.995
  35   33   86   C3   C3   HC    160.004
  85   33   86   HC   C3   HC     80.009
  32   34   36   C3   C3   C3    120.001
  32   34   87   C3   C3   HC     79.997
  32   34   88   C3   C3   HC    159.996
  36   34   87   C3   C3   HC    160.002
  36   34   88   C3   C3   HC     80.004
  87   34   88   HC   C3   HC     79.999
  33   35   37   C3   C3   C3    120.001
  33   35   89   C3   C3   HC     79.997
  33   35   90   C3   C3   HC    159.996
  37   35   89   C3   C3   HC    160.002
  37   35   90   C3   C3   HC     80.004
  89   35   90   HC   C3   HC     79.999
  34   36   38   C3   C3   C3    120.001
  34   36   91   C3   C3   HC    160.002
  34   36   92   C3   C3   HC     79.995
  38   36   91   C3   C3   HC     79.997
  38   36   92   C3   C3   HC    160.004
  91   36   92   HC   C3   HC     80.007
  35   37   39   C3   C3   C3    120.001
  35   37   93   C3   C3   HC    160.002
  35   37   94   C3   C3   HC     79.995
  39   37   93   C3   C3   HC     79.997
  39   37   94   C3   C3   HC    160.004
  93   37   94   HC   C3   HC     80.007
  36   38   40   C3   C3   C3    120.001
  36   38   95   C3   C3   HC     79.997
  36   38   96   C3   C3   HC    159.996
  40   38   95   C3   C3   HC    160.002
  40   38   96   C3   C3   HC     80.004
  95   38   96   HC   C3   HC     79.999
  37   39   41   C3   C3   C3    120.001
  37   39   97   C3   C3   HC     79.997
  37   39   98   C3   C3   HC    159.996
  41   39   97   C3   C3   HC    160.002
  41   39   98   C3   C3   HC     80.004
  97   39   98   HC   C3   HC     79.999
  38   40   42   C3   C3   C3    120.001
  38   40   99   C3   C3   HC    160.002
  38   40  100   C3   C3   HC     80.004
  42   40   99   C3   C3   HC     79.997
  42   40  100   C3   C3   HC    159.996
  99   40  100   HC   C3   HC     79.999
  39   41   45   C3   C3   C3    120.001
  39   41  101   C3   C3   HC    160.002
  39   41  102   C3   C3   HC     80.004
  45   41  101   C3   C3   HC     79.997
  45   41  102   C3   C3   HC    159.996
 101   41  102   HC   C3   HC     79.999
  40   42   46   C3   C3   C3    120.001
  40   42  103   C3   C3   HC     79.997
  40   42  104   C3   C3   HC    160.004
  46   42  103   C3   C3   HC    160.002
  46   42  104   C3   C3   HC     79.995
 103   42  104   HC   C3   HC     80.007
   8   43   16   O2   C2  Nam    119.998
   8   43   31   O2   C2   C3    120.001
  16   43   31  Nam   C2   C3    120.001
  31   44  105   C3   C3   HC     90.000
  31   44  106   C3   C3   HC    179.974
  31   44  107   C3   C3   HC     90.000
 105   44  106   HC   C3   HC     90.000
 105   44  107   HC   C3   HC    179.974
 106   44  107   HC   C3   HC     90.000
  41   45   47   C3   C3   C3    120.001
  41   45  108   C3   C3   HC     79.997
  41   45  109   C3   C3   HC    160.004
  47   45  108   C3   C3   HC    160.002
  47   45  109   C3   C3   HC     79.995
 108   45  109   HC   C3   HC     80.007
  42   46   49   C3   C3   C3    120.001
  42   46  110   C3   C3   HC    160.002
  42   46  111   C3   C3   HC     80.004
  49   46  110   C3   C3   HC     79.997
  49   46  111   C3   C3   HC    159.996
 110   46  111   HC   C3   HC     79.999
  45   47   51   C3   C3   C3    120.001
  45   47  112   C3   C3   HC    160.002
  45   47  113   C3   C3   HC     80.004
  51   47  112   C3   C3   HC     79.997
  51   47  113   C3   C3   HC    159.996
 112   47  113   HC   C3   HC     79.999
  16   48   50  Nam   C3   C3    120.001
  16   48   59  Nam   C3   C2    119.999
  16   48  114  Nam   C3   HC     59.999
  50   48   59   C3   C3   C2    120.001
  50   48  114   C3   C3   HC    179.974
  59   48  114   C2   C3   HC     59.999
  46   49   57   C3   C3   C2    119.998
  46   49  116   C3   C3   HC     79.995
  46   49  117   C3   C3   HC    160.004
  57   49  116   C2   C3   HC    160.007
  57   49  117   C2   C3   HC     79.998
 116   49  117   HC   C3   HC     80.009
  48   50   55   C3   C3   C3    120.001
  48   50  118   C3   C3   HC    159.996
  48   50  119   C3   C3   HC     79.997
  55   50  118   C3   C3   HC     80.004
  55   50  119   C3   C3   HC    160.002
 118   50  119   HC   C3   HC     79.999
  47   51   61   C3   C3   C3    119.998
  47   51  120   C3   C3   HC     79.997
  47   51  121   C3   C3   HC    160.004
  61   51  120   C3   C3   HC    160.005
  61   51  121   C3   C3   HC     79.998
 120   51  121   HC   C3   HC     80.007
  53   52   54   C3   C3   C3    120.001
  53   52  122   C3   C3   HC     79.997
  53   52  123   C3   C3   HC    159.996
  54   52  122   C3   C3   HC    160.002
  54   52  123   C3   C3   HC     80.004
 122   52  123   HC   C3   HC     79.999
  52   53   56   C3   C3   C3    119.998
  52   53  124   C3   C3   HC     79.997
  52   53  125   C3   C3   HC    160.004
  56   53  124   C3   C3   HC    160.005
  56   53  125   C3   C3   HC     79.998
 124   53  125   HC   C3   HC     80.007
  52   54   58   C3   C3   C3    120.001
  52   54  126   C3   C3   HC    160.002
  52   54  127   C3   C3   HC     80.004
  58   54  126   C3   C3   HC     79.997
  58   54  127   C3   C3   HC    159.996
 126   54  127   HC   C3   HC     79.999
  50   55   60   C3   C3   C2    120.001
  50   55  129   C3   C3   HC     80.004
  50   55  130   C3   C3   HC    160.002
  60   55  129   C2   C3   HC    159.996
  60   55  130   C2   C3   HC     79.997
 129   55  130   HC   C3   HC     79.999
  18   56   53  Nam   C3   C3    119.998
  18   56   62  Nam   C3   C2    120.001
  18   56  128  Nam   C3   HC     60.003
  53   56   62   C3   C3   C2    120.001
  53   56  128   C3   C3   HC     59.995
  62   56  128   C2   C3   HC    179.974
   9   57   17   O2   C2  Nam    120.001
   9   57   49   O2   C2   C3    120.001
  17   57   49  Nam   C2   C3    119.998
  17   58   54  Nam   C3   C3    120.001
  17   58  131  Nam   C3   HC    160.002
  17   58  132  Nam   C3   HC     80.004
  54   58  131   C3   C3   HC     79.997
  54   58  132   C3   C3   HC    159.996
 131   58  132   HC   C3   HC     79.999
  10   59   19   O2   C2  Nam    119.998
  10   59   48   O2   C2   C3    120.001
  19   59   48  Nam   C2   C3    120.001
  11   60   18   O2   C2  Nam    120.001
  11   60   55   O2   C2   C3    120.001
  18   60   55  Nam   C2   C3    119.998
  51   61  135   C3   C3   HC     89.996
  51   61  136   C3   C3   HC    179.974
  51   61  137   C3   C3   HC     90.004
 135   61  136   HC   C3   HC     90.000
 135   61  137   HC   C3   HC    179.974
 136   61  137   HC   C3   HC     90.000
  12   62   13   O3   C2   O2    120.001
  12   62   56   O3   C2   C3    120.001
  13   62   56   O2   C2   C3    119.999


TORSION ANGLES
  24    1   23   22      0.026
  24    1   23   25    179.974
  24    1   23   66    179.974
  23    1   24    4    179.974
  23    1   24   21      0.026
  23    1   24   67    180.000
  21   20    2   26    179.974
  22   20    2   26      0.026
  63   20    2   26      0.026
  28   26    2   20      0.026
  29   26    2   20    179.974
  71   26    2   20      0.026
  20   22    3   72    179.974
  23   22    3   72      0.026
  65   22    3   72    179.974
  73    4   24    1      0.026
  73    4   24   21    179.974
  73    4   24   67    179.974
  77    5   25   23    179.974
  77    5   25   68      0.026
  77    5   25   69      0.026
 140   12   62   13      0.026
 140   12   62   56    179.974
  20   21   14   27    179.974
  20   21   14   70      0.026
  24   21   14   27      0.026
  24   21   14   70    179.974
  64   21   14   27      0.026
  64   21   14   70    179.974
  21   14   27    6      0.026
  21   14   27   30    179.974
  70   14   27    6    179.974
  70   14   27   30      0.026
  31   15   29    7      0.026
  31   15   29   26    179.974
  81   15   29    7    179.974
  81   15   29   26      0.026
  43   31   15   29    179.974
  43   31   15   81      0.026
  44   31   15   29      0.026
  44   31   15   81    179.974
  82   31   15   29    179.974
  82   31   15   81      0.026
  48   16   43    8      0.026
  48   16   43   31    179.974
 115   16   43    8    179.974
 115   16   43   31      0.026
  50   48   16   43      0.026
  50   48   16  115    179.974
  59   48   16   43    179.974
  59   48   16  115      0.026
 114   48   16   43    179.974
 114   48   16  115      0.026
  58   17   57    9      0.026
  58   17   57   49    179.974
 133   17   57    9    179.974
 133   17   57   49      0.026
  57   17   58   54    179.974
  57   17   58  131      0.026
  57   17   58  132      0.026
 133   17   58   54      0.026
 133   17   58  131    179.974
 133   17   58  132    179.974
  53   56   18   60      0.026
  53   56   18  134    179.974
  62   56   18   60    179.974
  62   56   18  134      0.026
 128   56   18   60      0.026
 128   56   18  134    179.974
  56   18   60   11      0.026
  56   18   60   55    179.974
 134   18   60   11    179.974
 134   18   60   55      0.026
 138   19   59   10      0.026
 138   19   59   48    179.974
 139   19   59   10    179.974
 139   19   59   48      0.026
   2   20   21   14      0.026
   2   20   21   24    179.974
   2   20   21   64    179.974
  22   20   21   14    179.974
  22   20   21   24      0.026
  22   20   21   64      0.026
  63   20   21   14    179.974
  63   20   21   24      0.026
  63   20   21   64      0.026
   2   20   22    3      0.026
   2   20   22   23    179.974
   2   20   22   65      0.026
  21   20   22    3    179.974
  21   20   22   23      0.026
  21   20   22   65    179.974
  63   20   22    3      0.026
  63   20   22   23    179.974
  63   20   22   65      0.026
  14   21   24    1    179.974
  14   21   24    4      0.026
  14   21   24   67      0.026
  20   21   24    1      0.026
  20   21   24    4    179.974
  20   21   24   67    179.974
  64   21   24    1    179.974
  64   21   24    4      0.026
  64   21   24   67      0.026
   3   22   23    1    179.974
   3   22   23   25      0.026
   3   22   23   66    179.974
  20   22   23    1      0.026
  20   22   23   25    179.974
  20   22   23   66      0.026
  65   22   23    1      0.026
  65   22   23   25    179.974
  65   22   23   66      0.026
   1   23   25    5      0.026
   1   23   25   68    179.974
   1   23   25   69    179.974
  22   23   25    5    179.974
  22   23   25   68      0.026
  22   23   25   69      0.026
  66   23   25    5      0.026
  66   23   25   68    179.974
  66   23   25   69    179.974
   2   26   28   74    179.974
   2   26   28   75    180.000
   2   26   28   76      0.026
  29   26   28   74      0.026
  29   26   28   75    180.000
  29   26   28   76    179.974
  71   26   28   74    179.974
  71   26   28   75    180.000
  71   26   28   76      0.026
   2   26   29    7      0.026
   2   26   29   15    179.974
  28   26   29    7    179.974
  28   26   29   15      0.026
  71   26   29    7    179.974
  71   26   29   15      0.026
   6   27   30   78      0.026
   6   27   30   79    180.000
   6   27   30   80    179.974
  14   27   30   78    179.974
  14   27   30   79    180.000
  14   27   30   80      0.026
  15   31   43    8      0.026
  15   31   43   16    179.974
  44   31   43    8    179.974
  44   31   43   16      0.026
  82   31   43    8      0.026
  82   31   43   16    179.974
  15   31   44  105      0.026
  15   31   44  106    180.000
  15   31   44  107    179.974
  43   31   44  105    179.974
  43   31   44  106    180.000
  43   31   44  107      0.026
  82   31   44  105    180.000
  82   31   44  106    180.000
  82   31   44  107    180.000
  34   32   33   35    179.974
  34   32   33   85      0.026
  34   32   33   86      0.026
  83   32   33   35      0.026
  83   32   33   85    179.974
  83   32   33   86    179.974
  84   32   33   35      0.026
  84   32   33   85    179.974
  84   32   33   86    179.974
  33   32   34   36    179.974
  33   32   34   87      0.026
  33   32   34   88      0.026
  83   32   34   36      0.026
  83   32   34   87    179.974
  83   32   34   88    179.974
  84   32   34   36      0.026
  84   32   34   87    179.974
  84   32   34   88    179.974
  32   33   35   37    179.974
  32   33   35   89      0.026
  32   33   35   90      0.026
  85   33   35   37      0.026
  85   33   35   89    179.974
  85   33   35   90    179.974
  86   33   35   37      0.026
  86   33   35   89    179.974
  86   33   35   90    179.974
  32   34   36   38    179.974
  32   34   36   91      0.026
  32   34   36   92      0.026
  87   34   36   38      0.026
  87   34   36   91    179.974
  87   34   36   92    179.974
  88   34   36   38      0.026
  88   34   36   91    179.974
  88   34   36   92    179.974
  33   35   37   39    179.974
  33   35   37   93      0.026
  33   35   37   94      0.026
  89   35   37   39      0.026
  89   35   37   93    179.974
  89   35   37   94    179.974
  90   35   37   39      0.026
  90   35   37   93    179.974
  90   35   37   94    179.974
  34   36   38   40    179.974
  34   36   38   95      0.026
  34   36   38   96      0.026
  91   36   38   40      0.026
  91   36   38   95    179.974
  91   36   38   96    179.974
  92   36   38   40      0.026
  92   36   38   95    179.974
  92   36   38   96    179.974
  35   37   39   41    179.974
  35   37   39   97      0.026
  35   37   39   98      0.026
  93   37   39   41      0.026
  93   37   39   97    179.974
  93   37   39   98    179.974
  94   37   39   41      0.026
  94   37   39   97    179.974
  94   37   39   98    179.974
  36   38   40   42    179.974
  36   38   40   99      0.026
  36   38   40  100      0.026
  95   38   40   42      0.026
  95   38   40   99    179.974
  95   38   40  100    179.974
  96   38   40   42      0.026
  96   38   40   99    179.974
  96   38   40  100    179.974
  37   39   41   45    179.974
  37   39   41  101      0.026
  37   39   41  102      0.026
  97   39   41   45      0.026
  97   39   41  101    179.974
  97   39   41  102    179.974
  98   39   41   45      0.026
  98   39   41  101    179.974
  98   39   41  102    179.974
  38   40   42   46    179.974
  38   40   42  103      0.026
  38   40   42  104      0.026
  99   40   42   46      0.026
  99   40   42  103    179.974
  99   40   42  104    179.974
 100   40   42   46      0.026
 100   40   42  103    179.974
 100   40   42  104    179.974
  39   41   45   47    179.974
  39   41   45  108      0.026
  39   41   45  109      0.026
 101   41   45   47      0.026
 101   41   45  108    179.974
 101   41   45  109    179.974
 102   41   45   47      0.026
 102   41   45  108    179.974
 102   41   45  109    179.974
  40   42   46   49    179.974
  40   42   46  110      0.026
  40   42   46  111      0.026
 103   42   46   49      0.026
 103   42   46  110    179.974
 103   42   46  111    179.974
 104   42   46   49      0.026
 104   42   46  110    179.974
 104   42   46  111    179.974
  41   45   47   51    179.974
  41   45   47  112      0.026
  41   45   47  113      0.026
 108   45   47   51      0.026
 108   45   47  112    179.974
 108   45   47  113    179.974
 109   45   47   51      0.026
 109   45   47  112    179.974
 109   45   47  113    179.974
  42   46   49   57    179.974
  42   46   49  116      0.026
  42   46   49  117      0.026
 110   46   49   57      0.026
 110   46   49  116    179.974
 110   46   49  117    179.974
 111   46   49   57      0.026
 111   46   49  116    179.974
 111   46   49  117    179.974
  45   47   51   61    179.974
  45   47   51  120      0.026
  45   47   51  121      0.026
 112   47   51   61      0.026
 112   47   51  120    179.974
 112   47   51  121    179.974
 113   47   51   61      0.026
 113   47   51  120    179.974
 113   47   51  121    179.974
  16   48   50   55    179.974
  16   48   50  118      0.026
  16   48   50  119      0.026
  59   48   50   55      0.026
  59   48   50  118    179.974
  59   48   50  119    179.974
 114   48   50   55    180.000
 114   48   50  118    180.000
 114   48   50  119    180.000
  16   48   59   10      0.026
  16   48   59   19    179.974
  50   48   59   10    179.974
  50   48   59   19      0.026
 114   48   59   10      0.026
 114   48   59   19    179.974
  46   49   57    9      0.026
  46   49   57   17    179.974
 116   49   57    9    179.974
 116   49   57   17      0.026
 117   49   57    9    179.974
 117   49   57   17      0.026
  48   50   55   60    179.974
  48   50   55  129      0.026
  48   50   55  130      0.026
 118   50   55   60      0.026
 118   50   55  129    179.974
 118   50   55  130    179.974
 119   50   55   60      0.026
 119   50   55  129    179.974
 119   50   55  130    179.974
  47   51   61  135    179.974
  47   51   61  136    179.974
  47   51   61  137      0.026
 120   51   61  135      0.026
 120   51   61  136      0.026
 120   51   61  137    179.974
 121   51   61  135      0.026
 121   51   61  136      0.026
 121   51   61  137    179.974
  54   52   53   56    179.974
  54   52   53  124      0.026
  54   52   53  125      0.026
 122   52   53   56      0.026
 122   52   53  124    179.974
 122   52   53  125    179.974
 123   52   53   56      0.026
 123   52   53  124    179.974
 123   52   53  125    179.974
  53   52   54   58    179.974
  53   52   54  126      0.026
  53   52   54  127      0.026
 122   52   54   58      0.026
 122   52   54  126    179.974
 122   52   54  127    179.974
 123   52   54   58      0.026
 123   52   54  126    179.974
 123   52   54  127    179.974
  52   53   56   18    179.974
  52   53   56   62      0.026
  52   53   56  128    179.974
 124   53   56   18      0.026
 124   53   56   62    179.974
 124   53   56  128      0.026
 125   53   56   18      0.026
 125   53   56   62    179.974
 125   53   56  128      0.026
  52   54   58   17    179.974
  52   54   58  131      0.026
  52   54   58  132      0.026
 126   54   58   17      0.026
 126   54   58  131    179.974
 126   54   58  132    179.974
 127   54   58   17      0.026
 127   54   58  131    179.974
 127   54   58  132    179.974
  50   55   60   11      0.026
  50   55   60   18    179.974
 129   55   60   11    179.974
 129   55   60   18      0.026
 130   55   60   11    179.974
 130   55   60   18      0.026
  18   56   62   12    179.974
  18   56   62   13      0.026
  53   56   62   12      0.026
  53   56   62   13    179.974
 128   56   62   12      0.026
 128   56   62   13    179.974


CHIRAL ATOMS
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974
 128   56   62   13    179.974