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2,3,4,5,6-pentahydroxy-N-[3-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]propyl]hexanamide
2,3,4,5,6-pentahydroxy-N-[3-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]propyl]hexanamide ID: AN-35628
CAS:86303-22-2
Supplier:AN PharmaTech Co Ltd

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SMILES:OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCC(=O)N(CCCNC(=O)C(O)C(O)C(O)C(O)CO)CCCNC(=O)C(O)C(O)C(O)C(O)CO)C)C	3828172
FORMULA: C42H75N3O16
MASS: 878.0554
EXACT MASS: 877.5147333
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    4.6176     0.0000 
   O   3    6.4201     5.4149     0.0000 
   O   4    5.0722     6.4387    10.7773     0.0000 
   O   5    9.7185    11.6087    15.8582     5.1961     0.0000 
   O   6    6.4370    10.6277    12.5873     6.2450     6.9282     0.0000 
   O   7   10.0947    12.8896    16.4883     6.5574     2.6457     5.5678 
   O   8    8.6831    12.4593    15.0114     7.0000     5.5678     2.6458 
   O   9   11.3735    13.3365    17.5668     6.9282     1.7320     7.9373 
   O  10    7.9429    12.2718    13.8670     7.9373     7.9372     1.7321 
   O  11   11.8242    14.5686    18.2202     8.1854     3.6056     7.0001 
   O  12   10.0025    13.9958    16.1923     8.7178     7.0000     3.6056 
   O  13   13.0486    15.0654    19.2797     8.6603     3.4642     9.1652 
   O  14    9.5259    13.9372    15.2362     9.6436     9.1651     3.4641 
   O  15   14.5592    16.8760    20.8889    10.4403     5.2915    10.0000 
   O  16   11.5087    15.8769    17.2274    11.2694    10.0000     5.2915 
   N  17    5.1362     7.6226    11.3578     1.7320     4.5826     4.5825 
   N  18    8.4968    10.9686    14.8062     4.5826     1.7320     5.1962 
   N  19    6.7593    10.4595    13.1415     5.1961     5.1961     1.7321 
   C  20    1.7320     3.0316     6.1969     4.5921     9.6706     7.6400 
   C  21    2.6457     2.0316     5.7704     5.0829    10.2572     8.6234 
   C  22    3.0000     1.7702     4.7858     6.0803    11.2478     9.2959 
   C  23    2.6457     2.6838     4.1971     6.5847    11.6674     9.0813 
   C  24    3.4922     3.0692     3.1554     7.6249    12.7070     9.8997 
   C  25    2.1709     3.4619     7.1733     3.6056     8.7178     7.2111 
   C  26    1.0000     3.6414     5.7544     5.2417    10.1556     7.3775 
   C  27    1.7320     3.5023     4.7666     6.2137    11.1553     8.1534 
   C  28    4.4242     2.7152     2.7889     8.1472    13.3040    10.8587 
   C  29    3.3393     1.9586     6.5757     4.5433     9.7372     8.8170 
   C  30    4.0415     1.0000     4.5718     6.7023    11.8982    10.3035 
   C  31    3.1209     2.9466     7.3784     3.5672     8.7633     7.9966 
   C  32    4.6536     1.7702     3.6451     7.7281    12.9221    11.0462 
   C  33    3.6432     4.1540     2.7889     8.2566    13.2195     9.8314 
   C  34    1.0000     4.0316     6.7459     4.2825     9.1560     6.6616 
   C  35    2.1370     4.4611     7.9232     3.0000     7.9372     6.2450 
   C  36    5.3422     3.6079     1.8082     9.2313    14.3836    11.7409 
   C  37    2.6748     3.6645     3.7537     7.2299    12.1902     8.9964 
   C  38    4.7067     4.7995     1.8081     9.3293    14.3044    10.7845 
   C  39    5.4624     4.5717     1.0000     9.7784    14.8590    11.7064 
   C  40    3.1016     5.0087     8.8639     2.0000     7.0000     6.0827 
   C  41    1.5384     5.0629     7.8299     3.6055     8.1853     5.5678 
   C  42    3.5319     6.0003     9.6379     1.7320     6.2449     5.1961 
   C  43    4.5308     6.6475    10.5679     1.0000     5.2915     5.2915 
   C  44    6.1183     8.3240    12.2796     2.0000     3.6056     5.0000 
   C  45    4.9174     7.9898    11.2929     2.6457     5.0000     3.6055 
   C  46    6.8035     9.2847    13.0809     2.9999     3.0000     4.5826 
   C  47    5.7476     8.9863    12.1594     3.4640     4.5825     3.0000 
   C  48    7.7680    10.0196    13.9965     3.6056     2.0000     5.2915 
   C  49    5.8168     9.4596    12.2221     4.3589     5.2915     2.0000 
   C  50    9.4472    11.7258    15.7167     5.2915     1.0000     6.0828 
   C  51    7.0349    11.0061    13.3128     6.0828     6.0828     1.0000 
   C  52   10.2030    12.6653    16.5328     6.2450     1.7320     6.2450 
   C  53    8.0214    12.0021    14.2672     6.9282     6.2450     1.7321 
   C  54   11.1426    13.4386    17.4392     7.0000     2.0000     7.2112 
   C  55    8.4347    12.6009    14.5287     7.8102     7.2111     2.0001 
   C  56   11.9168    14.3706    18.2605     7.9373     3.0000     7.5499 
   C  57    9.4338    13.5904    15.5049     8.6602     7.5498     3.0000 
   C  58   12.8477    15.1558    19.1634     8.7178     3.6056     8.5440 
   C  59    9.9397    14.2278    15.8408     9.5394     8.5440     3.6056 
   C  60   13.6352    16.0815    19.9889     9.6437     4.5826     9.0001 
   C  61   10.9384    15.2100    16.8301    10.3923     9.0000     4.5826 
   H  62    3.2528     1.4157     5.6444     5.4049    10.5999     9.2212 
   H  63    3.3496     1.2742     5.2175     5.8278    11.0208     9.4751 
   H  64    2.2146     2.6388     4.8170     5.9665    11.0483     8.6107 
   H  65    2.6622     3.7608     7.7622     3.0176     8.1671     7.0960 
   H  66    0.8743     3.8575     6.3688     4.6450     9.5359     6.9254 
   H  67    1.4156     4.1142     5.0108     6.2709    11.0793     7.7128 
   H  68    2.1829     3.7602     4.2398     6.8288    11.7445     8.5084 
   H  69    4.9969     2.6730     2.7479     8.4978    13.6791    11.4338 
   H  70    3.7156     1.3411     6.2017     5.1244    10.3105     9.4005 
   H  71    3.9010     2.0362     7.0255     4.4162     9.5741     9.1104 
   H  72    3.7645     0.8755     5.1430     6.0936    11.2897     9.8844 
   H  73    3.7406     2.8908     7.6870     3.5531     8.7183     8.4270 
   H  74    3.2671     3.5435     7.9576     2.9472     8.1433     7.5993 
   H  75    5.2050     2.2272     3.2850     8.3387    13.5339    11.6199 
   H  76    5.0651     1.4610     4.0757     7.7472    12.9405    11.3935 
   H  77    3.0283     4.0815     3.4089     7.7195    12.6403     9.2220 
   H  78    3.6619     4.7386     2.9620     8.4789    13.3471     9.6352 
   H  79    1.5679     4.0756     7.2511     3.6777     8.6153     6.5524 
   H  80    0.8743     4.6516     7.1355     4.2001     8.8787     6.0586 
   H  81    0.5572     4.0823     6.2613     4.8911     9.7063     6.8257 
   H  82    2.3410     5.0807     8.4143     2.7431     7.4796     5.6520 
   H  83    5.9550     4.0412     1.5038     9.8242    14.9854    12.3426 
   H  84    5.5760     3.2514     2.2687     9.1688    14.3498    12.0082 
   H  85    2.3164     3.2396     4.2274     6.6494    11.6525     8.7351 
   H  86    2.2435     4.1131     4.2021     7.0455    11.9007     8.4472 
   H  87    3.1165     4.1389     3.3284     7.8166    12.7354     9.2918 
   H  88    4.5336     5.2060     2.2686     9.3310    14.2185    10.4233 
   H  89    5.2541     5.3530     1.5037     9.9374    14.8918    11.2177 
   H  90    5.9380     4.5504     0.8755    10.0754    15.1987    12.2435 
   H  91    0.6200     5.0468     6.2900     5.5957    10.1012     6.3730 
   H  92    3.1906     4.4715     8.5833     2.1943     7.3455     6.7003 
   H  93    3.7173     5.2348     9.3557     1.4332     6.5507     6.2747 
   H  94    5.2286     0.6199     5.4551     6.9183    12.0588    11.2411 
   H  95    2.1231     5.5414     8.4496     3.1879     7.5973     5.1005 
   H  96    1.4168     5.4946     7.8358     4.0601     8.3955     5.2004 
   H  97    0.9973     4.6182     7.2102     4.0750     8.7777     6.0624 
   H  98    3.7213     6.5597     9.9859     2.0295     5.9981     4.5868 
   H  99    2.9714     5.8515     9.1914     2.3450     6.7558     5.0180 
   H 100    6.6039     5.9577     0.6199    11.1234    16.1568    12.6332 
   H 101    5.9358     7.8382    11.9639     1.4332     3.8981     5.4894 
   H 102    6.6630     8.6237    12.7481     2.1944     3.1101     5.4894 
   H 103    4.6687     8.0666    11.0839     3.1512     5.4894     3.1102 
   H 104    4.3283     7.3924    10.6853     2.4059     5.4894     3.8981 
   H 105    7.1009     9.7977    13.4425     3.5889     2.9561     4.2190 
   H 106    6.3153     9.0378    12.6469     2.9561     3.5888     4.0521 
   H 107    5.9978     8.9484    12.3726     3.1021     4.0521     3.5889 
   H 108    6.3573     9.5852    12.7725     3.8917     4.2190     2.9561 
   H 109    5.7298     9.5967    12.0864     4.8280     5.8749     1.4332 
   H 110    5.1969     8.8834    11.6038     4.0506     5.6349     2.1943 
   H 111    7.5340     9.5477    13.6699     3.1102     2.1943     5.6350 
   H 112    8.2874    10.3368    14.4570     3.8981     1.4332     5.8749 
   H 113    8.4022    11.1188    14.7674     4.8213     2.2901     4.6695 
   H 114    7.2323    10.7750    13.6373     5.2330     4.6694     2.2901 
   H 115   10.6920    13.2524    17.0487     6.8429     2.2901     6.4223 
   H 116    7.8186    11.6585    14.1382     6.3988     5.6519     1.8397 
   H 117   11.7300    13.9325    18.0061     7.4969     2.3716     7.8144 
   H 118    8.7386    12.9968    14.7225     8.3704     7.8143     2.3716 
   H 119   10.6177    13.4897    17.0237     7.1724     3.1407     5.8193 
   H 120    9.2860    13.0793    15.5976     7.5792     5.8193     3.1408 
   H 121   12.4130    14.9528    18.7784     8.5255     3.6200     7.8169 
   H 122   10.0533    14.2046    16.1116     9.2024     7.8169     3.6200 
   H 123   11.9756    13.8565    18.1469     7.4716     2.2901     8.5256 
   H 124    8.3024    12.7025    14.0920     8.5255     8.5255     2.2901 
   H 125   12.3750    14.5868    18.6602     8.1526     3.0074     8.3093 
   H 126    9.3205    13.6201    15.2282     9.0258     8.3093     3.0075 
   H 127   12.3493    15.1637    18.7558     8.7923     4.2101     7.3298 
   H 128   10.6180    14.6142    16.7927     9.2900     7.3297     4.2100 
   H 129   10.8197    15.0048    16.8215    10.0050     8.4200     4.3998 
   H 130   11.5131    15.7477    17.4373    10.8012     9.1281     5.1245 
   H 131   13.9848    16.5507    20.3635    10.1194     5.1246     9.1281 
   H 132   13.1905    15.7660    19.5670     9.3389     4.3997     8.4201 
   H 133    9.9218    14.3827    15.5014    10.2246     9.7746     4.0130 
   H 134   13.6448    15.5873    19.8565     9.2024     4.0130     9.7747 
   H 135   15.0507    17.4456    21.4012    11.0074     5.8808    10.3240 
   H 136   12.1245    16.4812    17.8450    11.7967    10.3239     5.8808 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    3.4641     0.0000 
   O   9    2.6458     6.0828     0.0000 
   O  10    6.0827     2.6457     8.6602     0.0000 
   O  11    1.7321     4.5826     2.6458     7.2111     0.0000 
   O  12    4.5826     1.7320     7.2111     2.6457     5.1962     0.0000 
   O  13    3.6056     7.0000     1.7321     9.6436     2.6458     7.8103 
   O  14    7.0000     3.6055     9.6437     1.7320     7.8102     2.6457 
   O  15    4.5826     7.5498     3.6056    10.1488     3.0000     7.9373 
   O  16    7.5498     4.5825    10.1489     3.6055     7.9372     3.0000 
   N  17    5.2915     5.2915     6.2450     6.2450     7.0001     7.0000 
   N  18    2.0000     4.0000     3.0000     6.2450     3.6056     5.5678 
   N  19    4.0000     2.0000     6.2450     3.0001     5.5678     3.6056 
   C  20   10.4913     9.6173    11.3871     9.2590    12.2153    11.0837 
   C  21   11.2532    10.5457    11.9861    10.2524    12.9651    12.0398 
   C  22   12.1902    11.3381    12.9754    10.8737    13.9087    12.7818 
   C  23   12.4098    11.2772    13.3811    10.5821    14.1396    12.6366 
   C  24   13.4145    12.1745    14.4191    11.3395    15.1457    13.4831 
   C  25    9.6437     9.0000    10.4403     8.8882    11.3579    10.5357 
   C  26   10.7457     9.5454    11.8473     8.9147    12.4776    10.9159 
   C  27   11.7233    10.4142    12.8472     9.6228    13.4554    11.7292 
   C  28   14.1613    13.0768    15.0290    12.3295    15.8877    14.4258 
   C  29   10.9391    10.5418    11.4689    10.4975    12.6249    12.1072 
   C  30   12.9911    12.2910    13.6302    11.8966    14.6965    13.7634 
   C  31    9.9457     9.6173    10.4954     9.7001    11.6308    11.2088 
   C  32   13.9612    13.1315    14.6538    12.5910    15.6739    14.5584 
   C  33   13.7326    12.2285    14.9091    11.1652    15.4633    13.4364 
   C  34    9.7725     8.7048    10.8473     8.2672    11.5037    10.1361 
   C  35    8.7178     8.0000     9.6437     7.9373    10.4404     9.5394 
   C  36   15.2052    14.0242    16.1073    13.1586    16.9339    15.3289 
   C  37   12.7365    11.3308    13.8820    10.3986    14.4683    12.5929 
   C  38   14.8012    13.2258    15.9940    12.0591    16.5309    14.3888 
   C  39   15.5089    14.0944    16.5685    13.0319    17.2410    15.3114 
   C  40    7.9372     7.5498     8.7178     7.8102     9.6437     9.1651 
   C  41    8.6602     7.5499     9.8488     7.2112    10.3923     9.0000 
   C  42    6.9999     6.5574     7.9372     6.9282     8.7178     8.1853 
   C  43    6.2450     6.2450     7.0000     7.0000     7.9373     7.9372 
   C  44    4.5826     5.1962     5.2915     6.5574     6.2451     6.9282 
   C  45    5.1961     4.5826     6.5574     5.2915     6.9283     6.2450 
   C  46    3.6056     4.3589     4.5826     6.0000     5.2916     6.0828 
   C  47    4.3589     3.6056     6.0000     4.5826     6.0828     5.2915 
   C  48    2.9999     4.5825     3.6055     6.5574     4.5826     6.2450 
   C  49    4.5826     3.0000     6.5575     3.6056     6.2451     4.5826 
   C  50    1.7320     4.5826     2.0000     7.0000     3.0000     6.0000 
   C  51    4.5826     1.7320     7.0001     1.9999     6.0001     2.9999 
   C  52    1.0000     4.3589     1.7321     6.9281     2.0001     5.5678 
   C  53    4.3589     1.0000     6.9282     1.7320     5.5678     2.0000 
   C  54    1.7321     5.1962     1.0000     7.8103     1.7321     6.2451 
   C  55    5.1961     1.7320     7.8102     1.0000     6.2450     1.7320 
   C  56    2.0000     5.2915     1.7321     7.9372     1.0000     6.0828 
   C  57    5.2915     2.0000     7.9373     1.7320     6.0828     1.0000 
   C  58    3.0000     6.2450     2.0000     8.8881     1.7320     6.9282 
   C  59    6.2450     3.0000     8.8882     2.0000     6.9282     1.7320 
   C  60    3.6056     6.5575     3.0000     9.1651     2.0000     7.0000 
   C  61    6.5575     3.6055     9.1652     2.9999     7.0000     2.0000 
   H  62   11.7015    11.1023    12.3318    10.8589    13.4031    12.6152 
   H  63   12.0890    11.4151    12.7523    11.0916    13.7953    12.9054 
   H  64   11.8122    10.7503    12.7627    10.1483    13.5408    12.1412 
   H  65    9.1917     8.7358     9.8944     8.8015    10.8944    10.3162 
   H  66   10.1417     9.0204    11.2273     8.5052    11.8733    10.4280 
   H  67   11.5096    10.0419    12.7500     9.1369    13.2394    11.3063 
   H  68   12.2558    10.8367    13.4301     9.9218    13.9871    12.1030 
   H  69   14.6182    13.6199    15.4084    12.9206    16.3400    14.9902 
   H  70   11.5503    11.1553    12.0411    11.0711    13.2323    12.7137 
   H  71   10.9144    10.7142    11.3012    10.8115    12.5769    12.3159 
   H  72   12.4179    11.8037    13.0217    11.5054    14.1178    13.3040 
   H  73   10.0548     9.9299    10.4469    10.1438    11.7145    11.5534 
   H  74    9.3465     9.1146     9.8754     9.3176    11.0258    10.7305 
   H  75   14.5812    13.7310    15.2658    13.1479    16.2939    15.1453 
   H  76   14.0897    13.4052    14.6720    12.9698    15.7904    14.8694 
   H  77   13.1212    11.6104    14.3238    10.5717    14.8514    12.8263 
   H  78   13.7413    12.0901    15.0187    10.9055    15.4675    13.2386 
   H  79    9.3361     8.4568    10.3178     8.2064    11.0633     9.9463 
   H  80    9.3528     8.1494    10.5465     7.6533    11.0848     9.5540 
   H  81   10.2279     8.9888    11.3860     8.3735    11.9600    10.3597 
   H  82    8.1526     7.3801     9.1698     7.3543     9.8796     8.9222 
   H  83   15.8234    14.6380    16.7106    13.7466    17.5518    15.9341 
   H  84   15.2760    14.2301    16.0790    13.4679    16.9993    15.5783 
   H  85   12.2757    10.9979    13.3530    10.1959    14.0078    12.3129 
   H  86   12.3382    10.8211    13.5753     9.8210    14.0675    12.0495 
   H  87   13.2104    11.6871    14.4183    10.6336    14.9403    12.8966 
   H  88   14.6067    12.9071    15.8913    11.6461    16.3317    14.0207 
   H  89   15.3450    13.6932    16.5762    12.4443    17.0726    14.8164 
   H  90   15.9298    14.6018    16.9163    13.5939    17.6613    15.8461 
   H  91   10.3381     8.7273    11.7307     7.7997    12.0603     9.9692 
   H  92    8.4274     8.1542     9.0739     8.4268    10.1194     9.7778 
   H  93    7.6548     7.5384     8.2784     8.0067     9.3390     9.1957 
   H  94   13.4102    13.0502    13.7816    12.8887    15.0782    14.5966 
   H  95    8.0403     6.9852     9.2505     6.7780     9.7724     8.4687 
   H  96    8.6824     7.3256    10.0242     6.7960    10.4108     8.7065 
   H  97    9.2802     8.1225    10.4497     7.6699    11.0123     9.5419 
   H  98    6.5508     5.9535     7.6549     6.3186     8.2785     7.5715 
   H  99    7.3455     6.6126     8.4274     6.7414     9.0740     8.1848 
   H 100   16.6974    15.1024    17.8553    13.8568    18.4275    16.2324 
   H 101    5.1245     5.8077     5.6192     7.0886     6.7558     7.5395 
   H 102    4.3997     5.4395     4.8262     6.9906     5.9981     7.1640 
   H 103    5.4395     4.3998     6.9906     4.8263     7.1640     5.9981 
   H 104    5.8077     5.1245     7.0887     5.6193     7.5396     6.7558 
   H 105    3.1102     3.7689     4.3998     5.5394     4.8263     5.4853 
   H 106    3.8981     4.1189     5.1245     5.5394     5.6193     5.8507 
   H 107    4.1189     3.8982     5.5394     5.1245     5.8507     5.6193 
   H 108    3.7689     3.1103     5.5394     4.3998     5.4854     4.8263 
   H 109    4.9969     2.9561     7.0887     3.1103     6.6109     4.3998 
   H 110    5.1331     3.5889     6.9906     3.8982     6.8165     5.1245 
   H 111    3.5889     5.1332     3.8981     6.9906     5.1246     6.8165 
   H 112    2.9561     4.9969     3.1102     7.0886     4.3998     6.6108 
   H 113    1.7732     3.3800     3.3533     5.6519     3.4849     4.9562 
   H 114    3.3799     1.7733     5.6519     3.3533     4.9562     3.4849 
   H 115    0.8743     4.3318     1.8397     6.9559     1.3800     5.3763 
   H 116    3.8787     0.8743     6.3988     2.2901     5.2004     2.3716 
   H 117    2.2900     5.7414     0.8743     8.3704     1.8397     6.7055 
   H 118    5.7414     2.2900     8.3704     0.8742     6.7056     1.8397 
   H 119    0.6200     3.5191     2.8292     6.1647     1.2347     4.4187 
   H 120    3.5192     0.6200     6.1648     2.8291     4.4187     1.2347 
   H 121    2.3716     5.4428     2.2901     8.0773     0.8743     6.0634 
   H 122    5.4429     2.3716     8.0774     2.2900     6.0634     0.8743 
   H 123    3.1408     6.6019     0.6200     9.2024     2.8292     7.6541 
   H 124    6.6018     3.1407     9.2024     0.6200     7.6541     2.8292 
   H 125    2.7431     6.1257     1.3801     8.7695     1.8396     6.9559 
   H 126    6.1257     2.7430     8.7695     1.3800     6.9559     1.8396 
   H 127    2.2901     4.8213     3.1408     7.4070     0.6200     5.2330 
   H 128    4.8213     2.2900     7.4071     3.1406     5.2330     0.6200 
   H 129    5.9534     3.1102     8.5535     2.9560     6.3803     1.4331 
   H 130    6.6126     3.8981     9.1765     3.5888     6.9001     2.1943 
   H 131    3.8982     6.6126     3.5890     9.1764     2.1943     6.9001 
   H 132    3.1102     5.9534     2.9561     8.5535     1.4331     6.3804 
   H 133    7.5792     4.2100    10.2247     2.2900     8.3333     3.1407 
   H 134    4.2100     7.5792     2.2900    10.2246     3.1407     8.3333 
   H 135    5.0104     7.8169     4.2100    10.3790     3.3532     8.0774 
   H 136    7.8169     5.0104    10.3790     4.2099     8.0774     3.3532 

              O  13      O  14      O  15      O  16      N  17      N  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14   10.3923     0.0000 
   O  15    2.0000    10.5830     0.0000 
   O  16   10.5830     2.0000    10.3923     0.0000 
   N  17    7.9373     7.9373     9.5394     9.5394     0.0000 
   N  18    4.5826     7.5498     6.0827     8.5440     3.4642     0.0000 
   N  19    7.5499     4.5826     8.5440     6.0828     3.4640     3.4641 
   C  20   13.1077    10.9126    14.7697    12.8615     5.2387     8.7026 
   C  21   13.7160    11.9104    15.4358    13.8561     5.9650     9.4074 
   C  22   14.7041    12.4924    16.4111    14.4628     6.9132    10.3677 
   C  23   15.0990    12.1446    16.7411    14.1343     7.2019    10.6637 
   C  24   16.1355    12.8515    17.7679    14.8495     8.2290    11.6877 
   C  25   12.1656    10.5830    13.8564    12.4900     4.3589     7.8103 
   C  26   13.5492    10.5126    15.1357    12.4910     5.6141     9.0532 
   C  27   14.5486    11.1677    16.1291    13.1607     6.6128    10.0474 
   C  28   16.7555    13.8607    18.4408    15.8567     8.9151    12.3785 
   C  29   13.2008    12.1923    14.9793    14.0986     5.6654     9.0303 
   C  30   15.3623    13.5238    17.1188    15.4902     7.6997    11.1228 
   C  31   12.2275    11.4121    13.9944    13.2879     4.6765     8.0364 
   C  32   16.3856    14.1790    18.1290    16.1623     8.6738    12.1137 
   C  33   16.6076    12.5962    18.1704    14.5951     8.6703    12.0926 
   C  34   12.5498     9.9153    14.1431    11.8678     4.6159     8.0604 
   C  35   11.3579     9.6437    13.0000    11.5326     3.4641     6.9283 
   C  36   17.8327    14.6440    19.5082    16.6437     9.9757    13.4399 
   C  37   15.5827    11.8879    17.1568    13.8873     7.6462    11.0763 
   C  38   17.6919    13.4364    19.2494    15.4297     9.7546    13.1734 
   C  39   18.2822    14.4436    19.8976    16.4405    10.3635    13.8150 
   C  40   10.4403     9.5394    12.1243    11.3577     2.6457     6.0828 
   C  41   11.5326     8.8882    13.0767    10.8167     3.6055     7.0000 
   C  42    9.6437     8.6602    11.2694    10.4403     1.7320     5.1961 
   C  43    8.7178     8.7178    10.3923    10.3923     1.0000     4.3589 
   C  44    7.0001     8.1854     8.6603     9.6436     1.0000     2.6458 
   C  45    8.1854     7.0000     9.6437     8.6602     1.0000     3.6056 
   C  46    6.2451     7.5499     7.8103     8.8882     1.7320     1.7321 
   C  47    7.5498     6.2450     8.8882     7.8103     1.7320     3.0000 
   C  48    5.2915     8.0000     6.9282     9.1651     2.6458     1.0000 
   C  49    8.0001     5.2915     9.1652     6.9282     2.6457     3.6056 
   C  50    3.6056     8.1854     5.1961     9.0000     4.3589     1.0000 
   C  51    8.1854     3.6055     9.0000     5.1961     4.3589     4.3590 
   C  52    3.0001     7.9372     4.3589     8.5440     5.1961     1.7320 
   C  53    7.9373     3.0000     8.5440     4.3589     5.1962     4.5826 
   C  54    2.0000     8.7178     3.4641     9.1652     6.0828     2.6457 
   C  55    8.7178     2.0000     9.1651     3.4641     6.0828     5.5678 
   C  56    1.7321     8.6602     2.6457     8.8881     6.9283     3.4641 
   C  57    8.6603     1.7320     8.8882     2.6457     6.9282     6.0000 
   C  58    1.0000     9.5393     1.7320     9.6436     7.8103     4.3589 
   C  59    9.5394     1.0000     9.6436     1.7320     7.8102     7.0000 
   C  60    1.7320     9.6436     1.0000     9.5394     8.6603     5.1961 
   C  61    9.6437     1.7320     9.5394     1.0000     8.6602     7.5498 
   H  62   14.0638    12.5219    15.8173    14.4636     6.4106     9.8248 
   H  63   14.4841    12.7385    16.2294    14.6926     6.7976    10.2244 
   H  64   14.4814    11.7401    16.1293    13.7212     6.5909    10.0542 
   H  65   11.6232    10.5156    13.3406    12.3875     3.9009     7.3222 
   H  66   12.9296    10.1348    14.5202    12.0986     4.9952     8.4375 
   H  67   14.4351    10.6525    15.9658    12.6495     6.5052     9.8963 
   H  68   15.1263    11.4233    16.6870    13.4218     7.1890    10.6090 
   H  69   17.1383    14.4619    18.8518    16.4565     9.3498    12.8071 
   H  70   13.7722    12.7580    15.5646    14.6749     6.2815     9.6345 
   H  71   13.0296    12.5210    14.8458    14.4015     5.6913     8.9721 
   H  72   14.7538    13.1546    16.5184    15.1072     7.1275    10.5366 
   H  73   12.1765    11.8649    13.9859    13.7154     4.8481     8.1093 
   H  74   11.6075    11.0402    13.3760    12.8868     4.0932     7.4279 
   H  75   16.9978    14.7210    18.7458    16.7088     9.2938    12.7331 
   H  76   16.4037    14.5814    18.1812    16.5557     8.7989    12.2084 
   H  77   16.0178    12.0197    17.5682    14.0194     8.0810    11.4933 
   H  78   16.7028    12.2890    18.2205    14.2837     8.7740    12.1581 
   H  79   12.0287     9.8871    13.6547    11.8117     4.1153     7.5764 
   H  80   12.2322     9.2972    13.7768    11.2522     4.3019     7.7007 
   H  81   13.0795     9.9820    14.6415    11.9558     5.1427     8.5620 
   H  82   10.8732     9.0678    12.4798    10.9428     2.9435     6.3989 
   H  83   18.4372    15.2183    20.1197    17.2182    10.5897    14.0538 
   H  84   17.8088    14.9857    19.5198    16.9835    10.0126    13.4718 
   H  85   15.0607    11.7306    16.6616    13.7255     7.1321    10.5788 
   H  86   15.2628    11.2937    16.7966    13.2935     7.3303    10.7266 
   H  87   16.1116    12.0751    17.6599    14.0746     8.1751    11.5857 
   H  88   17.5756    12.9853    19.0911    14.9728     9.6464    13.0303 
   H  89   18.2695    13.7798    19.8106    15.7660    10.3331    13.7399 
   H  90   18.6367    15.0227    20.2819    17.0210    10.7425    14.2031 
   H  91   13.3860     9.3303    14.8452    11.3247     5.5255     8.8137 
   H  92   10.8036    10.1551    12.5319    11.9773     3.1512     6.5339 
   H  93   10.0076     9.7387    11.7355    11.5070     2.4059     5.7470 
   H  94   15.5065    14.5559    17.3387    16.4940     8.1619    11.4740 
   H  95   10.9282     8.4775    12.4610    10.3788     3.0148     6.3870 
   H  96   11.6827     8.4454    13.1622    10.3963     3.8241     7.1151 
   H  97   12.1386     9.3221    13.6928    11.2716     4.2047     7.6142 
   H  98    9.3390     8.0504    10.9035     9.8223     1.4156     4.8211 
   H  99   10.1194     8.4683    11.6975    10.3025     2.1828     5.6148 
   H 100   19.5598    15.1796    21.1354    17.1622    11.6249    15.0560 
   H 101    7.3456     8.7386     9.0712    10.2320     1.0812     3.1512 
   H 102    6.5507     8.5792     8.2753     9.9585     1.5968     2.4059 
   H 103    8.5792     6.5508     9.9585     8.2754     1.5967     4.0024 
   H 104    8.7387     7.3455    10.2321     9.0712     1.0812     4.1713 
   H 105    5.9982     7.0406     7.4597     8.3210     2.1829     1.4156 
   H 106    6.7559     7.1380     8.2506     8.5663     1.4156     2.1829 
   H 107    7.1380     6.7558     8.5663     8.2506     1.4156     2.5563 
   H 108    7.0407     5.9981     8.3211     7.4597     2.1828     2.5563 
   H 109    8.4844     4.8263     9.5683     6.5470     3.1512     4.1713 
   H 110    8.4843     5.6193     9.7115     7.3421     2.4059     4.0023 
   H 111    5.6193     8.4843     7.3421     9.7115     2.4060     1.5968 
   H 112    4.8263     8.4843     6.5470     9.5683     3.1512     1.0813 
   H 113    4.8213     6.9342     6.1648     7.9274     3.5192     0.6200 
   H 114    6.9343     4.8213     7.9274     6.1648     3.5191     2.9435 
   H 115    2.7431     7.8437     3.8786     8.3093     5.7416     2.2901 
   H 116    7.4796     3.6200     8.1966     4.9340     4.6695     3.9754 
   H 117    1.3801     9.2230     2.9435     9.5825     6.6487     3.2379 
   H 118    9.2230     1.3800     9.5825     2.9436     6.6486     6.1809 
   H 119    3.4849     6.9386     4.2029     7.3256     5.8808     2.6199 
   H 120    6.9387     3.4849     7.3256     4.2029     5.8808     4.3433 
   H 121    1.8397     8.6824     2.2146     8.7695     7.4716     4.0130 
   H 122    8.6825     1.8396     8.7696     2.2146     7.4716     6.3328 
   H 123    1.2347    10.1333     3.2069    10.5567     6.8429     3.6200 
   H 124   10.1333     1.2347    10.5567     3.2069     6.8428     6.8428 
   H 125    0.8743     9.5270     2.2900     9.7593     7.3024     3.8787 
   H 126    9.5270     0.8743     9.7593     2.2900     7.3024     6.7115 
   H 127    2.8292     7.8743     2.7431     7.8437     7.5793     4.2100 
   H 128    7.8743     2.8291     7.8438     2.7430     7.5792     5.9770 
   H 129    9.0237     2.0295     8.9364     1.5968     8.2754     7.0009 
   H 130    9.5442     2.3451     9.3146     1.0812     9.0712     7.7496 
   H 131    2.3451     9.5442     1.0813     9.3146     9.0713     5.6148 
   H 132    2.0295     9.0238     1.5967     8.9364     8.2754     4.8210 
   H 133   10.9337     0.6200    11.0591     1.7733     8.5255     8.1660 
   H 134    0.6199    10.9336     1.7733    11.0591     8.5255     5.1927 
   H 135    2.6199    10.7175     0.6200    10.4108    10.0650     6.6018 
   H 136   10.7175     2.6199    10.4108     0.6200    10.0650     8.9210 

              N  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   N  19    0.0000 
   C  20    7.6261     0.0000 
   C  21    8.5484     1.0000     0.0000 
   C  22    9.3508     1.7320     1.0000     0.0000 
   C  23    9.3212     2.0000     1.7320     1.0000     0.0000 
   C  24   10.2406     3.0415     2.6902     1.7760     1.0417     0.0000 
   C  25    7.0000     0.9941     1.6117     2.5575     2.9791     4.0196 
   C  26    7.5898     1.0000     1.7320     2.0000     1.7320     2.6799 
   C  27    8.4834     1.7320     2.0000     1.7320     1.0000     1.7604 
   C  28   11.1213     3.6767     3.0693     2.0694     1.8002     1.0416 
   C  29    8.5445     1.6118     0.9941     1.8227     2.6955     3.5939 
   C  30   10.2963     2.6798     1.7603     1.0416     1.7760     2.0693 
   C  31    7.6261     1.6094     1.6094     2.5961     3.2999     4.2916 
   C  32   11.1471     3.5322     2.7088     1.8002     2.0694     1.8001 
   C  33   10.3528     3.6913     3.5694     2.7597     1.8378     1.0851 
   C  34    6.7262     1.0000     2.0000     2.6457     2.6457     3.6421 
   C  35    6.0000     1.7763     2.5818     3.4782     3.7443     4.7781 
   C  36   12.0876     4.7386     4.1543     3.1543     2.7996     1.8500 
   C  37    9.4261     2.6826     2.6801     2.0281     1.0282     1.0000 
   C  38   11.3746     4.7502     4.5413     3.6509     2.8243     1.8751 
   C  39   12.2056     5.1969     4.7851     3.8083     3.1971     2.1555 
   C  40    5.5677     2.6708     3.3251     4.2883     4.6690     5.7097 
   C  41    5.5677     2.0845     3.0568     3.7900     3.7927     4.7681 
   C  42    4.5825     3.5072     4.2573     5.1910     5.4721     6.5019 
   C  43    4.3588     4.3906     5.0512     6.0197     6.3815     7.4191 
   C  44    3.6055     6.1173     6.7802     7.7514     8.1022     9.1370 
   C  45    2.6457     5.3511     6.1855     7.0753     7.2272     8.2232 
   C  46    3.0000     6.9706     7.6837     8.6395     8.9325     9.9578 
   C  47    1.7320     6.3089     7.1644     8.0384     8.1472     9.1266 
   C  48    3.6055     7.8465     8.5106     9.4833     9.8270    10.8595 
   C  49    1.0000     6.6326     7.5503     8.3595     8.3511     9.2842 
   C  50    4.3589     9.5766    10.2415    11.2152    11.5540    12.5846 
   C  51    1.0001     8.0839     9.0418     9.7829     9.6567    10.5250 
   C  52    4.5825    10.4344    11.1335    12.0969    12.3951    13.4180 
   C  53    1.7321     9.0838    10.0410    10.7825    10.6487    11.5087 
   C  54    5.5678    11.3074    11.9727    12.9471    13.2823    14.3113 
   C  55    2.6458     9.6284    10.6066    11.2928    11.0797    11.8892 
   C  56    6.0000    12.1665    12.8614    13.8270    14.1267    15.1489 
   C  57    3.4642    10.6241    11.6004    12.2916    12.0791    12.8851 
   C  58    7.0000    13.0384    13.7042    14.6791    15.0114    16.0392 
   C  59    4.3589    11.2277    12.2167    12.8589    12.5805    13.3391 
   C  60    7.5498    13.8985    14.5902    15.5574    15.8583    16.8799 
   C  61    5.1962    12.2159    13.2028    13.8530    13.5799    14.3389 
   H  62    9.1029     1.6178     0.6200     0.9389     1.9004     2.7098 
   H  63    9.4179     1.8352     0.8696     0.6200     1.6200     2.3345 
   H  64    8.7820     1.3800     1.2347     0.8743     0.6200     1.6616 
   H  65    6.7409     1.6094     2.0957     3.0810     3.5765     4.6136 
   H  66    7.0501     0.8743     1.8397     2.3716     2.2900     3.2738 
   H  67    8.1427     2.0295     2.5068     2.3451     1.5967     2.2030 
   H  68    8.9319     2.3451     2.5068     2.0295     1.0812     1.4309 
   H  69   11.6546     4.1291     3.4224     2.4410     2.3539     1.6616 
   H  70    9.1571     1.9966     1.1150     1.6048     2.5790     3.3571 
   H  71    8.7273     2.1923     1.6056     2.3524     3.2737     4.1270 
   H  72    9.8051     2.2468     1.2647     0.9087     1.8710     2.4330 
   H  73    7.9538     2.1908     1.9925     2.9160     3.7237     4.6704 
   H  74    7.1337     1.9925     2.1908     3.1878     3.8334     4.8459 
   H  75   11.7498     4.1438     3.3288     2.4124     2.5786     2.0980 
   H  76   11.4115     3.7897     2.8770     2.0981     2.5712     2.4124 
   H  77    9.7329     3.1964     3.2038     2.5128     1.5217     1.1539 
   H  78   10.2549     3.9855     3.9954     3.2628     2.2912     1.6818 
   H  79    6.4619     1.1766     2.0939     2.9083     3.0874     4.1140 
   H  80    6.1836     1.6200     2.6200     3.2380     3.1407     4.0936 
   H  81    7.0353     1.1766     2.0939     2.5121     2.2883     3.2207 
   H  82    5.3800     2.3459     3.1925     4.0678     4.2677     5.2889 
   H  83   12.7042     5.3514     4.7423     3.7439     3.4194     2.4640 
   H  84   12.2730     4.7847     4.0929     3.1088     2.9530     2.1343 
   H  85    9.0648     2.0783     2.0726     1.5150     0.5640     1.1766 
   H  86    8.9400     2.6319     2.8554     2.3900     1.4299     1.6200 
   H  87    9.8133     3.2928     3.2922     2.5884     1.6017     1.1767 
   H  88   11.0917     4.8036     4.7227     3.9040     2.9915     2.1702 
   H  89   11.8667     5.3640     5.1602     4.2630     3.4442     2.4873 
   H  90   12.6956     5.5292     5.0221     4.0256     3.5414     2.5170 
   H  91    6.8534     2.2900     3.1407     3.3533     2.8292     3.5408 
   H  92    6.1773     2.4079     2.9123     3.9027     4.3928     5.4320 
   H  93    5.5908     3.1632     3.7087     4.6971     5.1598     6.2011 
   H  94   11.0510     3.6515     2.6516     2.3301     3.1829     3.4254 
   H  95    4.9941     2.6323     3.5716     4.3577     4.4040     5.3856 
   H  96    5.3762     2.4672     3.4654     4.0955     3.9516     4.8662 
   H  97    6.1504     1.5906     2.5886     3.2415     3.1848     4.1513 
   H  98    3.9716     3.9457     4.7573     5.6602     5.8635     6.8776 
   H  99    4.6147     3.1592     3.9974     4.8811     5.0668     6.0806 
   H 100   13.2650     6.5315     6.1789     5.2125     4.5433     3.5106 
   H 101    4.1712     5.7729     6.3747     7.3597     7.7706     8.8109 
   H 102    4.0023     6.5618     7.1716     8.1560     8.5577     9.5969 
   H 103    2.4059     5.2984     6.1873     7.0304     7.0965     8.0653 
   H 104    3.1512     4.7314     5.5711     6.4564     6.6093     7.6079 
   H 105    2.5562     7.3905     8.1430     9.0826     9.3268    10.3415 
   H 106    2.5563     6.5961     7.3576     8.2921     8.5299     9.5445 
   H 107    2.1828     6.3966     7.2013     8.1119     8.2947     9.2962 
   H 108    1.4155     6.9270     7.7773     8.6558     8.7669     9.7451 
   H 109    1.0812     6.6940     7.6426     8.4041     8.3216     9.2199 
   H 110    1.5967     6.0302     6.9572     7.7542     7.7338     8.6647 
   H 111    4.0023     7.4894     8.1065     9.0902     9.4829    10.5211 
   H 112    4.1712     8.2814     8.9034     9.8867    10.2731    11.3103 
   H 113    2.9435     8.7314     9.4828    10.4239    10.6633    11.6751 
   H 114    0.6200     8.0068     8.9040     9.7378     9.7567    10.6964 
   H 115    4.8213    10.9785    11.6955    12.6526    12.9280    13.9459 
   H 116    1.2347     8.7865     9.7255    10.5015    10.4208    11.3107 
   H 117    6.1809    11.8586    12.5049    13.4845    13.8400    14.8720 
   H 118    3.2380    10.0013    10.9884    11.6411    11.3829    12.1605 
   H 119    4.3433    11.0605    11.8356    12.7660    12.9660    13.9646 
   H 120    2.6200    10.2353    11.1650    11.9550    11.8865    12.7781 
   H 121    6.3328    12.7095    13.4202    14.3803    14.6600    15.6777 
   H 122    4.0131    11.2419    12.2170    12.9110    12.6987    13.5029 
   H 123    6.8428    11.9607    12.5425    13.5347    13.9571    14.9964 
   H 124    3.6200     9.6783    10.6759    11.2626    10.9275    11.6502 
   H 125    6.7115    12.5157    13.1631    14.1427    14.4961    15.5275 
   H 126    3.8788    10.6162    11.6064    12.2430    11.9610    12.7192 
   H 127    5.9770    12.7805    13.5425    14.4803    14.6936    15.6944 
   H 128    4.2100    11.7037    12.6595    13.4016    13.2535    14.0967 
   H 129    4.8211    12.0342    13.0124    13.6957    13.4654    14.2550 
   H 130    5.6148    12.7645    13.7475    14.4131    14.1569    14.9264 
   H 131    7.7496    14.3081    15.0221    15.9815    16.2544    17.2697 
   H 132    7.0009    13.5116    14.2283    15.1864    15.4574    16.4726 
   H 133    5.1927    11.3528    12.3523    12.9046    12.5212    13.1971 
   H 134    8.1660    13.6770    14.2699    15.2608    15.6711    16.7091 
   H 135    8.9210    15.3014    15.9821    16.9532    17.2655    18.2888 
   H 136    6.6019    13.4687    14.4623    15.0752    14.7516    15.4689 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.8227     0.0000 
   C  27    2.6955     1.0000     0.0000 
   C  28    4.5907     3.5322     2.7088     0.0000 
   C  29    1.6095     2.5576     2.9791     3.8053     0.0000 
   C  30    3.3655     3.0415     2.6902     1.8002     2.1807     0.0000 
   C  31    0.9940     2.5961     3.2999     4.6549     0.9941     3.1354 
   C  32    4.3177     3.6767     3.0693     1.0416     3.2206     1.0417 
   C  33    4.6843     3.0639     2.0647     1.8500     4.5296     3.1542 
   C  34    1.1742     1.0000     2.0000     4.4289     2.4915     3.6421 
   C  35    1.0000     2.2532     3.2418     5.4528     2.5788     4.3421 
   C  36    5.6671     4.5103     3.6103     1.0850     4.8737     2.7917 
   C  37    3.6713     2.0349     1.0349     2.0417     3.6683     2.7062 
   C  38    5.7443     4.1487     3.1493     2.1555     5.4655     3.8200 
   C  39    6.1739     4.7672     3.7859     1.8750     5.6125     3.6752 
   C  40    1.7321     3.2470     4.2280     6.3205     3.0520     5.0540 
   C  41    1.7320     2.0895     3.0636     5.5836     3.3235     4.7635 
   C  42    2.6458     3.9113     4.9112     7.1838     4.0465     6.0058 
   C  43    3.4642     4.8748     5.8725     8.0512     4.6945     6.7645 
   C  44    5.1961     6.5562     7.5562     9.7823     6.3844     8.4837 
   C  45    4.5826     5.5504     6.5273     8.9957     6.0410     7.9450 
   C  46    6.0828     7.3307     8.3270    10.6467     7.3363     9.4074 
   C  47    5.5678     6.4469     7.4060     9.9289     7.0394     8.9247 
   C  48    6.9283     8.2587     9.2578    11.5138     8.0923    10.2074 
   C  49    6.0000     6.6220     7.5316    10.1501     7.5464     9.2998 
   C  50    8.6603     9.9713    10.9689    13.2454     9.8086    11.9334 
   C  51    7.5499     7.9306     8.7662    11.4511     9.1327    10.7635 
   C  52    9.5394    10.7787    11.7711    14.1102    10.7363    12.8425 
   C  53    8.5440     8.9247     9.7514    12.4414    10.1225    11.7635 
   C  54   10.3923    11.6896    12.6858    14.9772    11.5296    13.6609 
   C  55    9.1652     9.3775    10.1472    12.8542    10.7639    12.2971 
   C  56   11.2695    12.5061    13.4971    15.8422    12.4496    14.5653 
   C  57   10.1489    10.3775    11.1449    13.8524    11.7439    13.2945 
   C  58   12.1244    13.4115    14.4062    16.7089    13.2535    15.3895 
   C  59   10.8167    10.9079    11.6226    14.3294    12.4224    13.8774 
   C  60   13.0000    14.2346    15.2244    17.5741    14.1674    16.2900 
   C  61   11.7898    11.9053    12.6225    15.3294    13.3931    14.8697 
   H  62    2.1134     2.3125     2.4175     2.8712     0.9341     1.3014 
   H  63    2.4647     2.3681     2.2883     2.4392     1.3680     0.9027 
   H  64    2.3611     1.2347     0.8743     2.3603     2.2278     1.8834 
   H  65    0.6200     2.4267     3.3150     5.1394     1.8123     3.8025 
   H  66    1.3718     0.6200     1.6199     4.0825     2.4696     3.3917 
   H  67    2.9036     1.0813     0.6200     3.2097     3.4520     3.3102 
   H  68    3.3146     1.5968     0.6200     2.4601     3.4999     2.8551 
   H  69    4.9979     4.0783     3.2982     0.6200     4.0484     1.9040 
   H  70    2.1908     2.8394     3.0651     3.4131     0.6200     1.6840 
   H  71    1.9925     3.1606     3.5979     4.2380     0.6200     2.5111 
   H  72    2.8270     2.7790     2.6361     2.3553     1.5626     0.6200 
   H  73    1.6057     3.1879     3.8335     4.9200     1.1149     3.2734 
   H  74    1.1149     2.9160     3.7237     5.2540     1.6057     3.7553 
   H  75    4.9376     4.2428     3.5693     1.1173     3.8180     1.6388 
   H  76    4.4785     4.0707     3.5631     1.6388     3.2039     1.1174 
   H  77    4.1805     2.4937     1.5059     2.1344     4.1897     3.0993 
   H  78    4.9644     3.2386     2.2740     2.4641     4.9771     3.7410 
   H  79    0.7680     1.5679     2.5558     4.8255     2.3278     3.8344 
   H  80    1.6203     1.4158     2.3715     4.9396     3.0740     4.2474 
   H  81    1.7136     0.5572     1.4955     4.0882     2.7866     3.5490 
   H  82    1.6200     2.6775     3.6775     6.0088     3.1893     4.9522 
   H  83    6.2722     5.1297     4.2239     1.6817     5.4263     3.2987 
   H  84    5.6643     4.6850     3.8552     1.1538     4.7116     2.5516 
   H  85    3.0710     1.5304     0.5844     2.1337     3.0649     2.3401 
   H  86    3.5808     1.8054     0.9046     2.6617     3.8466     3.1959 
   H  87    4.2773     2.5900     1.6030     2.1337     4.2765     3.1528 
   H  88    5.7911     4.0967     3.1177     2.6562     5.6830     4.2107 
   H  89    6.3579     4.7394     3.7426     2.6637     6.0805     4.3869 
   H  90    6.4855     5.1873     4.2300     1.9783     5.7835     3.7307 
   H  91    2.7900     1.4158     1.8397     4.5334     3.9013     4.3865 
   H  92    1.4156     3.1407     4.0759     5.9636     2.5147     4.5927 
   H  93    2.1829     3.8166     4.7828     6.7549     3.2860     5.3866 
   H  94    4.0610     4.2468     4.0539     2.8972     2.5195     1.4157 
   H  95    2.1115     2.7083     3.6834     6.1901     3.7199     5.3070 
   H  96    2.2901     2.2202     3.1134     5.7512     3.8440     5.1064 
   H  97    1.5201     1.4716     2.4438     4.9805     3.0040     4.2412 
   H  98    3.1512     4.2322     5.2266     7.6108     4.6150     6.5156 
   H  99    2.4060     3.4391     4.4355     6.8175     3.9298     5.7576 
   H 100    7.5192     6.0109     5.0122     3.2843     7.0233     5.0828 
   H 101    4.8211     6.2884     7.2851     9.4101     5.9169     8.0476 
   H 102    5.6149     7.0548     8.0535    10.2048     6.7087     8.8436 
   H 103    4.6147     5.3858     6.3364     8.8855     6.1424     7.9446 
   H 104    3.9716     4.9381     5.9189     8.3762     5.4494     7.3311 
   H 105    6.5339     7.6885     8.6775    11.0649     7.8426     9.8815 
   H 106    5.7470     6.8926     7.8825    10.2696     7.0803     9.1006 
   H 107    5.5909     6.6269     7.6065    10.0552     6.9908     8.9560 
   H 108    6.1774     7.0653     8.0222    10.5488     7.6344     9.5373 
   H 109    6.1381     6.5902     7.4599    10.1210     7.7178     9.3734 
   H 110    5.4215     6.0040     6.9118     9.5333     6.9837     8.7022 
   H 111    6.5470     7.9614     8.9612    11.1374     7.6389     9.7775 
   H 112    7.3421     8.7390     9.7390    11.9327     8.4327    10.5737 
   H 113    7.8743     9.0158    10.0009    12.4051     9.1671    11.2188 
   H 114    7.3297     8.0299     8.9455    11.5543     8.8400    10.6605 
   H 115   10.0959    11.2949    12.2832    14.6552    11.3178    13.4129 
   H 116    8.1966     8.6899     9.5504    12.2195     9.7552    11.4640 
   H 117   10.9337    12.2613    13.2589    15.5226    12.0370    14.1800 
   H 118    9.5825     9.6995    10.4332    13.1419    11.1879    12.6562 
   H 119   10.2247    11.2907    12.2626    14.7253    11.5371    13.5779 
   H 120    9.6200    10.1551    11.0177    13.6855    11.1611    12.9096 
   H 121   11.8231    13.0251    14.0124    16.3862    13.0259    15.1320 
   H 122   10.7603    10.9975    11.7636    14.4714    12.3532    13.9131 
   H 123   11.0075    12.4367    13.4367    15.5926    12.0047    14.1724 
   H 124    9.3512     9.2863     9.9552    12.6536    10.9602    12.2927 
   H 125   11.5916    12.9137    13.9109    16.1804    12.6935    14.8376 
   H 126   10.2159    10.2897    11.0027    13.7095    11.8230    13.2627 
   H 127   11.9334    13.0216    13.9944    16.4490    13.2170    15.2787 
   H 128   11.1536    11.5338    12.3438    15.0418    12.7234    14.3834 
   H 129   11.5644    11.7715    12.5226    15.2314    13.1595    14.7019 
   H 130   12.3159    12.4745    13.2044    15.9125    13.9150    15.4254 
   H 131   13.4244    14.6123    15.5969    17.9847    14.6262    16.7341 
   H 132   12.6296    13.8155    14.8004    17.1882    13.8384    15.9424 
   H 133   11.0591    10.9150    11.5362    14.2153    12.6665    13.9404 
   H 134   12.7289    14.1333    15.1332    17.3165    13.7366    15.9037 
   H 135   14.3967    15.6467    16.6374    18.9756    15.5416    17.6738 
   H 136   13.0868    13.1056    13.7789    16.4756    14.6946    16.1014 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    4.1648     0.0000 
   C  33    5.1179     2.7996     0.0000 
   C  34    2.1425     4.4288     4.0634     0.0000 
   C  35    1.7763     5.2660     5.3028     1.2825     0.0000 
   C  36    5.7373     1.8377     2.1555     5.4453     6.5116     0.0000 
   C  37    4.1641     2.7114     1.0313     3.0348     4.2716     2.7604 
   C  38    6.1240     3.1972     1.0850     5.1484     6.3848     1.8751 
   C  39    6.3944     2.8242     1.8750     5.7550     6.9249     1.0850 
   C  40    2.0846     6.0329     6.2826     2.2825     1.0000     7.3942 
   C  41    2.6707     5.5816     5.0937     1.1602     1.0000     6.5889 
   C  42    3.0843     6.9630     6.9748     2.9114     1.7321     8.2437 
   C  43    3.7017     7.7555     7.9372     3.8783     2.6458     9.1231 
   C  44    5.3906     9.4815     9.6190     5.5562     4.3589    10.8529 
   C  45    5.0840     8.8690     8.5441     4.5835     3.6056    10.0263 
   C  46    6.3424    10.3917    10.3780     6.3355     5.1961    11.7077 
   C  47    6.0839     9.8360     9.3903     5.5022     4.5826    10.9459 
   C  48    7.1005    11.2095    11.3161     7.2597     6.0828    12.5835 
   C  49    6.6326    10.1573     9.4342     5.7424     5.0000    11.1276 
   C  50    8.8189    12.9385    13.0223     8.9741     7.8103    14.3144 
   C  51    8.2545    11.5622    10.5360     7.1375     6.5575    12.3743 
   C  52    9.7437    13.8380    13.8115     9.7877     8.6602    15.1718 
   C  53    9.2360    12.5608    11.4972     8.1369     7.5499    13.3569 
   C  54   10.5418    14.6682    14.7346    10.6942     9.5394    16.0455 
   C  55    9.9137    13.0459    11.7903     8.6551     8.1854    13.7266 
   C  56   11.4585    15.5642    15.5334    11.5166    10.3923    16.9039 
   C  57   10.8834    14.0458    12.7745     9.6528     9.1652    14.7209 
   C  58   12.2673    16.3985    16.4510    12.4176    11.2694    17.7768 
   C  59   11.5942    14.5845    13.1535    10.2410     9.8489    15.1564 
   C  60   13.1778    17.2916    17.2573    13.2463    12.1244    18.6360 
   C  61   12.5536    15.5819    14.1489    11.2313    10.8167    16.1555 
   H  62    1.8413     2.3237     3.6964     2.6173     3.1090     3.9403 
   H  63    2.2698     1.9017     3.3551     2.8249     3.4465     3.5057 
   H  64    2.7315     2.4427     2.3872     2.0699     3.1299     3.3931 
   H  65    0.9014     4.7934     5.3007     1.6699     0.9060     6.2215 
   H  66    2.2741     4.1306     3.6836     0.3800     1.6473     5.0871 
   H  67    3.6387     3.6572     2.2286     1.9884     3.2709     4.0302 
   H  68    3.8922     3.0207     1.4836     2.5913     3.8489     3.2385 
   H  69    4.9571     0.9052     2.4088     4.9383     5.9004     0.9404 
   H  70    1.6057     2.7209     4.3641     2.9547     3.1769     4.4529 
   H  71    1.1150     3.5442     5.0969     3.0057     2.8781     5.2819 
   H  72    2.5268     1.6617     3.4951     3.2399     3.8190     3.3831 
   H  73    0.6201     4.3151     5.5597     2.7621     2.2907     5.9884 
   H  74    0.6200     4.7835     5.6253     2.2673     1.5282     6.3381 
   H  75    4.7729     0.6200     2.9664     5.0261     5.8839     1.5080 
   H  76    4.1870     0.6200     3.4196     4.7377     5.4585     2.2821 
   H  77    4.6906     2.9530     0.6200     3.4884     4.7447     2.6563 
   H  78    5.4887     3.4194     0.6200     4.2197     5.4907     2.6638 
   H  79    1.7543     4.7081     4.6175     0.6200     0.6861     5.8721 
   H  80    2.6143     5.0045     4.3937     0.6200     1.3088     5.9260 
   H  81    2.6214     4.2227     3.5314     0.6200     1.8942     5.0586 
   H  82    2.3459     5.8625     5.7405     1.6776     0.6200     7.0556 
   H  83    6.3119     2.2911     2.6638     6.0651     7.1258     0.6200 
   H  84    5.6264     1.5216     2.6563     5.5710     6.5589     0.6200 
   H  85    3.5441     2.5714     1.6133     2.5185     3.7179     3.0263 
   H  86    4.2042     3.3022     1.4133     2.7750     4.0507     3.3506 
   H  87    4.7841     2.9765     0.5415     3.5842     4.8414     2.6171 
   H  88    6.2630     3.6891     1.1538     5.0839     6.3499     2.4872 
   H  89    6.7440     3.6971     1.6817     5.7373     6.9832     2.1701 
   H  90    6.6209     2.7803     2.4295     6.1582     7.2855     0.9440 
   H  91    3.7332     4.8915     3.5028     1.6199     2.7170     5.3716 
   H  92    1.5257     5.5972     6.0921     2.2615     1.0812     7.0460 
   H  93    2.2920     6.3936     6.8235     2.8737     1.5967     7.8363 
   H  94    3.4905     1.8699     4.5035     4.6515     5.0579     3.6566 
   H  95    2.9528     6.1558     5.7100     1.7612     1.1766     7.2023 
   H  96    3.2562     5.8551     5.0599     1.4714     1.6200     6.7116 
   H  97    2.5131     5.0185     4.4784     0.5992     1.1766     5.9770 
   H  98    3.6693     7.4487     7.2758     3.2412     2.1829     8.6556 
   H  99    3.0262     6.6749     6.4893     2.4457     1.4156     7.8599 
   H 100    7.7878     4.1937     2.9665     7.0100     8.2218     2.3705 
   H 101    4.9276     9.0594     9.3492     5.2930     4.0507    10.4881 
   H 102    5.7209     9.8562    10.1182     6.0566     4.8282    11.2820 
   H 103    5.2202     8.8306     8.3118     4.4568     3.6167     9.8921 
   H 104    4.5035     8.2510     7.9437     3.9669     2.9898     9.4081 
   H 105    6.8512    10.8512    10.7123     6.7029     5.6148    12.1158 
   H 106    6.0919    10.0647     9.9199     5.9062     4.8211    11.3195 
   H 107    6.0136     9.8986     9.6253     5.6545     4.6339    11.0923 
   H 108    6.6718    10.4528    10.0005     6.1221     5.1957    11.5655 
   H 109    6.8392    10.1917     9.2989     5.7628     5.1440    11.0694 
   H 110    6.0865     9.5504     8.8162     5.1306     4.4225    10.5086 
   H 111    6.6526    10.7909    11.0252     6.9618     5.7470    12.2138 
   H 112    7.4475    11.5878    11.8019     7.7390     6.5338    13.0084 
   H 113    8.1740    12.1913    12.0269     8.0342     6.9559    13.4544 
   H 114    7.8981    11.5376    10.8491     7.1370     6.3328    12.5381 
   H 115   10.3242    14.4026    14.3141    10.3088     9.2025    15.7121 
   H 116    8.8466    12.2912    11.3559     7.8625     7.1976    13.1607 
   H 117   11.0532    15.1932    15.3118    11.2641    10.0958    16.5943 
   H 118   10.3600    13.3754    12.0103     9.0171     8.6142    13.9868 
   H 119   10.5444    14.5422    14.2596    10.3243     9.2900    15.7638 
   H 120   10.2353    13.7475    12.8175     9.3200     8.6200    14.6280 
   H 121   12.0335    16.1259    16.0399    12.0400    10.9337    17.4437 
   H 122   11.4872    14.6657    13.3859    10.2716     9.7747    15.3377 
   H 123   11.0370    15.1997    15.4998    11.4368    10.2247    16.6727 
   H 124   10.1863    12.9560    11.4244     8.6812     8.4157    13.4529 
   H 125   11.7102    15.8512    15.9622    11.9171    10.7520    17.2518 
   H 126   11.0030    13.9663    12.5367     9.6280     9.2523    14.5371 
   H 127   12.2231    16.2508    15.9915    12.0533    11.0075    17.4905 
   H 128   11.8222    15.1778    14.0411    10.7559    10.1570    15.9416 
   H 129   12.2971    15.4437    14.1116    11.0599    10.5807    16.0844 
   H 130   13.0619    16.1503    14.7494    11.7844    11.3366    16.7473 
   H 131   13.6341    17.7280    17.6178    13.6300    12.5319    19.0406 
   H 132   12.8459    16.9347    16.8224    12.8330    11.7355    18.2438 
   H 133   11.9065    14.5681    12.8988    10.3533    10.1333    14.9712 
   H 134   12.7684    16.9304    17.1939    13.1335    11.9333    18.3955 
   H 135   14.5544    18.6799    18.6718    14.6573    13.5286    20.0398 
   H 136   13.8765    16.7779    15.2148    12.4761    12.1253    17.2637 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    2.1149     0.0000 
   C  39    2.7880     1.0850     0.0000 
   C  40    5.2525     7.3614     7.8640     0.0000 
   C  41    4.0832     6.1735     6.8487     1.7320     0.0000 
   C  42    5.9461     8.0598     8.6418     1.0000     2.0000     0.0000 
   C  43    6.9064     9.0213     9.5691     1.7320     3.0000     1.0000 
   C  44    8.5911    10.7040    11.2823     3.4640     4.5825     2.6457 
   C  45    7.5426     9.6176    10.3128     2.9999     3.4641     2.0000 
   C  46    9.3581    11.4606    12.0883     4.3588     5.2915     3.4640 
   C  47    8.4059    10.4531    11.1889     3.9999     4.3589     2.9999 
   C  48   10.2916    12.4004    13.0006     5.1961     6.2450     4.3589 
   C  49    8.4902    10.4696    11.2756     4.5825     4.5825     3.6055 
   C  50   12.0011    14.1054    14.7221     6.9282     7.9372     6.0827 
   C  51    9.6581    11.5208    12.4068     6.2450     6.0001     5.2915 
   C  52   12.7982    14.8906    15.5427     7.8102     8.7177     6.9281 
   C  53   10.6323    12.4699    13.3703     7.2111     7.0000     6.2450 
   C  54   13.7163    15.8163    16.4458     8.6602     9.6437     7.8102 
   C  55   10.9760    12.7219    13.6644     7.9372     7.5499     7.0000 
   C  56   14.5225    16.6110    17.2714     9.5394    10.4403     8.6602 
   C  57   11.9682    13.6972    14.6476     8.8881     8.5440     7.9372 
   C  58   15.4352    17.5313    18.1711    10.3923    11.3578     9.5393 
   C  59   12.3962    14.0343    15.0168     9.6436     9.1652     8.7178 
   C  60   16.2485    18.3335    19.0007    11.2694    12.1655    10.3923 
   C  61   13.3952    15.0243    16.0106    10.5829    10.1489     9.6436 
   H  62    2.9190     4.5847     4.6858     3.7659     3.6537     4.7309 
   H  63    2.6481     4.2035     4.2648     4.1521     3.9140     5.1033 
   H  64    1.4508     3.4122     3.8170     4.0494     3.2275     4.8599 
   H  65    4.2901     6.3572     6.7642     1.2581     1.8697     2.2404 
   H  66    2.6548     4.7685     5.3791     2.6460     1.5027     3.2914 
   H  67    1.2897     3.2916     4.0633     4.2709     2.9025     4.8486 
   H  68    0.4944     2.5661     3.2796     4.8395     3.6104     5.4998 
   H  69    2.6616     2.5251     1.9749     6.7292     6.0980     7.6235 
   H  70    3.5984     5.2274     5.2649     3.6718     3.8727     4.6665 
   H  71    4.2641     6.0021     6.0820     3.1661     3.7226     4.1638 
   H  72    2.8842     4.2667     4.2209     4.4834     4.3199     5.4492 
   H  73    4.6430     6.5312     6.7192     2.3889     3.2338     3.3728 
   H  74    4.6442     6.6533     6.9684     1.5660     2.5121     2.5583 
   H  75    3.0775     3.1509     2.5774     6.6527     6.1824     7.5828 
   H  76    3.2970     3.7867     3.3277     6.1539     5.8702     7.1140 
   H  77    0.5273     1.6817     2.4872     5.7334     4.4933     6.3960 
   H  78    1.3253     1.1539     2.1702     6.4856     5.1707     7.1110 
   H  79    3.5863     5.7001     6.2542     1.6800     1.0000     2.3882 
   H  80    3.3857     5.4730     6.1574     2.2410     0.7008     2.6664 
   H  81    2.5156     4.6140     5.2814     2.8925     1.5687     3.4667 
   H  82    4.7124     6.8255     7.4201     0.8743     0.8743     1.2347 
   H  83    3.3506     2.1702     1.1539     8.0015     7.2089     8.8578 
   H  84    3.1132     2.4873     1.6817     7.3961     6.7284     8.2848 
   H  85    0.6200     2.6800     3.2376     4.6855     3.6172     5.4171 
   H  86    0.6200     2.4638     3.2735     5.0483     3.7307     5.6632 
   H  87    0.6200     1.5913     2.4150     5.8303     4.5858     6.4913 
   H  88    2.1211     0.6199     1.6817     7.3419     6.0435     7.9805 
   H  89    2.7120     0.6199     1.1539     7.9642     6.7414     8.6470 
   H  90    3.2714     1.7050     0.6200     8.1990     7.2767     9.0134 
   H  91    2.6238     4.5232     5.3673     3.6550     2.0010     3.9946 
   H  92    5.0729     7.1567     7.5846     0.6200     2.0295     1.5968 
   H  93    5.7971     7.8963     8.3561     0.6200     2.3450     1.0813 
   H  94    4.1208     5.0418     4.6841     5.5687     5.6786     6.5651 
   H  95    4.7018     6.7884     7.4687     1.5200     0.6200     1.4956 
   H  96    4.0866     6.1214     6.8745     2.2900     0.6200     2.3716 
   H  97    3.4650     5.5597     6.2287     2.1114     0.6200     2.5558 
   H  98    6.2566     8.3585     8.9960     1.5967     2.1943     0.6199 
   H  99    5.4673     7.5731     8.2007     1.0812     1.4332     0.6200 
   H 100    3.9802     1.8988     1.4158     9.1820     8.0591     9.9182 
   H 101    8.3182    10.4328    10.9642     3.1021     4.3997     2.4059 
   H 102    9.0878    11.2026    11.7488     3.8917     5.1245     3.1512 
   H 103    7.3311     9.3731    10.1161     3.1670     3.3038     2.1943 
   H 104    6.9378     9.0199     9.7031     2.4266     2.8555     1.4331 
   H 105    9.7018    11.7903    12.4555     4.8281     5.6192     3.8916 
   H 106    8.9078    10.9989    11.6593     4.0506     4.8263     3.1021 
   H 107    8.6232    10.6988    11.3914     3.9399     4.5429     2.9560 
   H 108    9.0194    11.0607    11.8037     4.5874     4.9779     3.5888 
   H 109    8.3856    10.3126    11.1581     4.8384     4.6147     3.8981 
   H 110    7.8706     9.8537    10.6563     4.0630     3.9716     3.1102 
   H 111    9.9960    12.1101    12.6711     4.8211     5.9981     4.0507 
   H 112   10.7739    12.8868    13.4588     5.6147     6.7558     4.8280 
   H 113   11.0215    13.1018    13.7828     6.1648     6.9386     5.2330 
   H 114    9.9060    11.8824    12.6915     5.8193     5.9770     4.8212 
   H 115   13.3062    15.3901    16.0618     8.3705     9.2231     7.4716 
   H 116   10.4617    12.3519    13.2228     6.7959     6.7115     5.8141 
   H 117   14.2910    16.3945    17.0111     9.2024    10.2247     8.3704 
   H 118   11.2285    12.9144    13.8798     8.4156     7.9350     7.4969 
   H 119   13.2702    15.3237    16.0483     8.5254     9.2024     7.5791 
   H 120   11.9276    13.8081    14.6859     8.1660     8.1660     7.1724 
   H 121   15.0341    17.1145    17.7923    10.0957    10.9510     9.2024 
   H 122   12.5840    14.3037    15.2583     9.4828     9.1610     8.5255 
   H 123   14.4716    16.5848    17.1479     9.2900    10.4482     8.5255 
   H 124   10.6938    12.2874    13.2809     8.3333     7.6541     7.4715 
   H 125   14.9424    17.0445    17.6656     9.8602    10.8731     9.0257 
   H 126   11.7768    13.4212    14.4010     9.0677     8.5572     8.1526 
   H 127   15.0023    17.0550    17.7802    10.2247    10.9337     9.2900 
   H 128   13.2030    14.9879    15.9161     9.7746     9.6200     8.7922 
   H 129   13.3271    15.0135    15.9809    10.2956     9.9557     9.3389 
   H 130   13.9873    15.6309    16.6132    11.0709    10.6912    10.1193 
   H 131   16.6158    18.6897    19.3794    11.6975    12.5339    10.8013 
   H 132   15.8197    17.8948    18.5826    10.9034    11.7376    10.0050 
   H 133   12.2233    13.7096    14.7319    10.0649     9.3512     9.2023 
   H 134   16.1677    18.2786    18.8582    11.0074    12.1253    10.2246 
   H 135   17.6622    19.7484    20.4121    12.6650    13.5795    11.7967 
   H 136   14.5071    16.0479    17.0597    11.9332    11.4195    11.0074 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    1.7320     0.0000 
   C  45    1.7320     1.7320     0.0000 
   C  46    2.6457     1.0000     2.0000     0.0000 
   C  47    2.6457     1.9999     1.0000     1.7320     0.0000 
   C  48    3.4641     1.7321     3.0000     1.0000     2.6457     0.0000 
   C  49    3.4641     3.0000     1.7320     2.6458     1.0000     3.4641 
   C  50    5.1961     3.4642     4.5826     2.6458     4.0000     1.7320 
   C  51    5.1962     4.5826     3.4642     4.0001     2.6459     4.5826 
   C  52    6.0827     4.3589     5.2915     3.4641     4.5825     2.6457 
   C  53    6.0828     5.2915     4.3589     4.5826     3.4642     5.0000 
   C  54    6.9282     5.1962     6.2450     4.3589     5.5678     3.4641 
   C  55    6.9282     6.2450     5.1962     5.5678     4.3589     6.0000 
   C  56    7.8102     6.0828     7.0000     5.1962     6.2450     4.3589 
   C  57    7.8102     7.0000     6.0828     6.2450     5.1962     6.5574 
   C  58    8.6602     6.9283     7.9372     6.0828     7.2111     5.1961 
   C  59    8.6602     7.9373     6.9282     7.2111     6.0828     7.5498 
   C  60    9.5394     7.8103     8.7178     6.9283     7.9372     6.0828 
   C  61    9.5394     8.7178     7.8102     7.9373     6.9282     8.1853 
   H  62    5.4678     7.1841     6.6918     8.1124     7.6798     8.9066 
   H  63    5.8656     7.5874     7.0463     8.5072     8.0283     9.3132 
   H  64    5.7637     7.4861     6.6379     8.3224     7.5686     9.2122 
   H  65    2.9633     4.6882     4.2299     5.6050     5.2277     6.4170 
   H  66    4.2568     5.9362     4.9494     6.7135     5.8590     7.6393 
   H  67    5.8353     7.4739     6.3280     8.1931     7.1632     9.1471 
   H  68    6.4695     8.1417     7.0642     8.8947     7.9202     9.8347 
   H  69    8.4607    10.1923     9.4757    11.0779    10.4223    11.9242 
   H  70    5.3070     6.9890     6.6605     7.9460     7.6587     8.6908 
   H  71    4.6986     6.3348     6.1615     7.3105     7.1609     8.0115 
   H  72    6.1814     7.8941     7.4080     8.8266     8.3947     9.6138 
   H  73    3.8516     5.4738     5.3586     6.4523     6.3548     7.1478 
   H  74    3.1083     4.7823     4.5530     5.7413     5.5518     6.4869 
   H  75    8.3748    10.1001     9.4857    11.0115    10.4507    11.8276 
   H  76    7.8539     9.5653     9.0600    10.4992    10.0410    11.2831 
   H  77    7.3667     9.0367     7.9360     9.7826     8.7759    10.7265 
   H  78    8.0920     9.7415     8.5774    10.4595     9.3848    11.4156 
   H  79    3.3249     5.0286     4.1791     5.8454     5.1329     6.7469 
   H  80    3.6632     5.2740     4.1575     5.9919     5.0371     6.9435 
   H  81    4.4493     6.1012     5.0319     6.8467     5.9137     7.7882 
   H  82    2.2146     3.8787     3.0074     4.6695     3.9755     5.5843 
   H  83    9.7317    11.4624    10.6458    12.3217    11.5659    13.1936 
   H  84    9.1279    10.8598    10.1245    11.7418    11.0653    12.5918 
   H  85    6.3621     8.0620     7.0801     8.8537     7.9699     9.7734 
   H  86    6.6444     8.2952     7.1584     9.0220     7.9893     9.9737 
   H  87    7.4626     9.1316     8.0264     9.8757     8.8638    10.8205 
   H  88    8.9594    10.6130     9.4475    11.3323    10.2489    12.2883 
   H  89    9.6142    11.2887    10.1713    12.0324    10.9908    12.9785 
   H  90    9.9190    11.6424    10.7366    12.4725    11.6314    13.3682 
   H  91    4.9933     6.5197     5.2108     7.1488     5.9792     8.1291 
   H  92    2.1829     3.8916     3.5889     4.8281     4.5875     5.6148 
   H  93    1.4156     3.1021     2.9561     4.0506     3.9399     4.8211 
   H  94    7.1782     8.8342     8.5604     9.8048     9.5589    10.5148 
   H  95    2.4825     4.0019     2.8441     4.6841     3.7437     5.6451 
   H  96    3.3533     4.8212     3.5191     5.4428     4.3318     6.4222 
   H  97    3.5505     5.1723     4.0841     5.9014     4.9753     6.8484 
   H  98    1.0812     2.4059     1.4332     3.1021     2.4267     4.0507 
   H  99    1.5967     3.1511     2.1943     3.8917     3.1671     4.8281 
   H 100   10.8665    12.5638    11.5104    13.3383    12.3511    14.2696 
   H 101    1.4156     0.6199     2.0295     1.5967     2.5067     2.1829 
   H 102    2.1829     0.6201     2.3451     1.0812     2.5068     1.4156 
   H 103    2.1828     2.3450     0.6200     2.5068     1.0812     3.4977 
   H 104    1.4156     2.0295     0.6200     2.5068     1.5968     3.4978 
   H 105    3.1512     1.5968     2.1943     0.6200     1.6277     1.0812 
   H 106    2.4059     1.0813     1.4332     0.6200     1.1266     1.5967 
   H 107    2.4059     1.4331     1.0812     1.1266     0.6200     2.0783 
   H 108    3.1512     2.1943     1.5967     1.6278     0.6200     2.3874 
   H 109    3.8917     3.5888     2.1828     3.2657     1.5968     4.0761 
   H 110    3.1021     2.9560     1.4155     2.8113     1.0812     3.7220 
   H 111    3.1021     1.4156     2.9561     1.0812     2.8113     0.6200 
   H 112    3.8917     2.1829     3.5888     1.5967     3.2656     0.6200 
   H 113    4.4726     2.8293     3.4849     1.8398     2.7430     1.4158 
   H 114    4.4726     3.4849     2.8292     2.7431     1.8397     3.2069 
   H 115    6.6487     4.9341     5.7745     4.0131     5.0105     3.2380 
   H 116    5.5843     4.7100     3.8787     3.9755     2.9436     4.3799 
   H 117    7.4715     5.7415     6.8428     4.9340     6.1809     4.0130 
   H 118    7.4715     6.8428     5.7414     6.1810     4.9340     6.6199 
   H 119    6.8428     5.1927     5.7414     4.2100     4.8707     3.6199 
   H 120    6.8428     5.7415     5.1927     4.8708     4.2100     5.0104 
   H 121    8.3704     6.6487     7.4970     5.7415     6.7055     4.9340 
   H 122    8.3704     7.4970     6.6486     6.7056     5.7415     6.9530 
   H 123    7.5792     5.8809     7.1725     5.1928     6.6200     4.2101 
   H 124    7.5792     7.1724     5.8808     6.6200     5.1927     7.1724 
   H 125    8.1292     6.3989     7.4796     5.5843     6.7959     4.6695 
   H 126    8.1292     7.4796     6.3988     6.7959     5.5844     7.1975 
   H 127    8.5255     6.8429     7.4716     5.8809     6.6019     5.1927 
   H 128    8.5255     7.4716     6.8428     6.6019     5.8808     6.7055 
   H 129    9.1797     8.2784     7.4597     7.4664     6.5470     7.6679 
   H 130    9.9725     9.0740     8.2505     8.2566     7.3421     8.4393 
   H 131    9.9726     8.2506     9.0740     7.3422     8.2566     6.5339 
   H 132    9.1796     7.4597     8.2784     6.5470     7.4664     5.7469 
   H 133    9.2900     8.7923     7.5792     8.1660     6.8428     8.6199 
   H 134    9.2899     7.5792     8.7922     6.8428     8.1660     5.8808 
   H 135   10.9336     9.2024    10.1333     8.3333     9.3511     7.4715 
   H 136   10.9336    10.1333     9.2024     9.3512     8.3333     9.5824 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50    4.5826     0.0000 
   C  51    1.7321     5.1962     0.0000 
   C  52    5.0000     1.0000     5.2915     0.0000 
   C  53    2.6458     5.2915     1.0000     5.1961     0.0000 
   C  54    6.0001     1.7320     6.2451     1.0001     6.0828     0.0000 
   C  55    3.4641     6.2450     1.7320     6.0827     1.0000     6.9282 
   C  56    6.5575     2.6458     6.5575     1.7321     6.2450     1.0001 
   C  57    4.3589     6.5575     2.6457     6.2450     1.7320     7.0001 
   C  58    7.5498     3.4641     7.5498     2.6458     7.2111     1.7320 
   C  59    5.1962     7.5498     3.4640     7.2111     2.6457     7.9373 
   C  60    8.1854     4.3589     8.0000     3.4642     7.5498     2.6458 
   C  61    6.0828     8.0000     4.3588     7.5498     3.4641     8.1854 
   H  62    8.1033    10.6322     9.6201    11.5430    10.6182    12.3595 
   H  63    8.4199    11.0408     9.9066    11.9458    10.9061    12.7697 
   H  64    7.8040    10.9401     9.1513    11.7859    10.1473    12.6692 
   H  65    5.7449     8.1472     7.3564     9.0450     8.3398     9.8780 
   H  66    6.0723     9.3530     7.4330    10.1641     8.4310    11.0724 
   H  67    7.2136    10.8387     8.3684    11.6080     9.3433    12.5415 
   H  68    7.9969    11.5393     9.1652    12.3281    10.1404    13.2510 
   H  69   10.6768    13.6561    12.0083    14.5369    13.0014    15.3880 
   H  70    8.1584    10.4025     9.7344    11.3360    10.7262    12.1200 
   H  71    7.7364     9.7076     9.3670    10.6560    10.3467    11.4145 
   H  72    8.8061    11.3373    10.3063    12.2526    11.3054    13.0630 
   H  73    6.9709     8.8442     8.6299     9.7923     9.5992    10.5522 
   H  74    6.1480     8.2030     7.8017     9.1313     8.7726     9.9247 
   H  75   10.7619    13.5562    12.1516    14.4571    13.1492    15.2855 
   H  76   10.4156    13.0046    11.8696    13.9232    12.8696    14.7286 
   H  77    8.8143    12.4280     9.9200    13.2094    10.8831    14.1368 
   H  78    9.3627    13.1047    10.3804    13.8649    11.3250    14.8038 
   H  79    5.4658     8.4707     6.9488     9.3077     7.9478    10.1973 
   H  80    5.2106     8.6377     6.5587     9.4179     7.5567    10.3444 
   H  81    6.0700     9.4913     7.3736    10.2828     8.3678    11.2034 
   H  82    4.3800     7.3024     5.9435     8.1292     6.9344     9.0258 
   H  83   11.7456    14.9250    12.9841    15.7857    13.9651    16.6564 
   H  84   11.3001    14.3238    12.6048    15.2021    13.5947    16.0558 
   H  85    8.1105    11.4909     9.3506    12.3058    10.3356    13.2123 
   H  86    8.0211    11.6678     9.1342    12.4387    10.1005    13.3716 
   H  87    8.8970    12.5212     9.9946    13.3012    10.9561    14.2295 
   H  88   10.2099    13.9775    11.1905    14.7361    12.1249    15.6760 
   H  89   10.9762    14.6781    11.9791    15.4527    12.9167    16.3845 
   H  90   11.7542    15.0954    12.9248    15.9338    13.8949    16.8236 
   H  91    5.9474     9.7804     7.0422    10.5002     8.0119    11.4556 
   H  92    5.1956     7.3421     6.8637     8.2505     7.8279     9.0712 
   H  93    4.6339     6.5470     6.3410     7.4597     7.2796     8.2754 
   H  94   10.0516    12.2098    11.6100    13.1593    12.6048    13.9139 
   H  95    4.0019     7.3294     5.4719     8.1022     6.4705     9.0317 
   H  96    4.4186     8.0774     5.7153     8.8104     6.7115     9.7593 
   H  97    5.1723     8.5469     6.5443     9.3339     7.5433    10.2566 
   H  98    2.9898     5.7470     4.6717     6.5469     5.6266     7.4597 
   H  99    3.6167     6.5338     5.2294     7.3420     6.2098     8.2506 
   H 100   12.3652    15.9810    13.3907    16.7765    14.3308    17.6964 
   H 101    3.4977     3.8917     5.1332     4.8281     5.8749     5.6148 
   H 102    3.4977     3.1021     4.9969     4.0506     5.6350     4.8210 
   H 103    1.4156     4.9969     3.1022     5.6349     4.0507     6.6109 
   H 104    2.1828     5.1332     3.8918     5.8749     4.8281     6.8165 
   H 105    2.3874     2.4060     3.5475     3.1021     4.0521     4.0507 
   H 106    2.0783     3.1512     3.5476     3.8917     4.2190     4.8281 
   H 107    1.5968     3.5475     3.1513     4.2190     3.8918     5.1817 
   H 108    1.0812     3.5475     2.4060     4.0521     3.1022     5.0468 
   H 109    0.6200     5.1332     1.4157     5.4894     2.4060     6.4872 
   H 110    0.6200     4.9968     2.1829     5.4894     3.1513     6.4872 
   H 111    3.7221     2.1829     4.9969     3.1512     5.4895     3.8917 
   H 112    4.0761     1.4156     5.1332     2.4059     5.4894     3.1022 
   H 113    3.2069     1.4158     3.7980     1.8396     3.9754     2.8292 
   H 114    1.4158     3.7979     1.4159     3.9754     1.8397     4.9562 
   H 115    5.3372     1.6201     5.4429     0.6201     5.2330     0.8743 
   H 116    2.2146     4.7100     0.8743     4.6694     0.6200     5.5843 
   H 117    6.6200     2.2900     6.8428     1.6200     6.6486     0.6199 
   H 118    4.0130     6.8428     2.2900     6.6486     1.6199     7.4716 
   H 119    5.0104     2.2900     4.8213     1.4157     4.4726     1.8397 
   H 120    3.6200     4.8213     2.2900     4.4726     1.4157     5.2331 
   H 121    6.9530     3.2380     6.8180     2.2901     6.4222     1.6200 
   H 122    4.9340     6.8180     3.2379     6.4222     2.2900     7.1152 
   H 123    7.1725     2.6200     7.5793     2.2901     7.4716     1.4157 
   H 124    4.2100     7.5792     2.6199     7.4715     2.2900     8.3334 
   H 125    7.1976     2.9435     7.3256     2.2146     7.0643     1.2347 
   H 126    4.6696     7.3256     2.9435     7.0643     2.2146     7.8438 
   H 127    6.7056     3.6200     6.3328     2.6201     5.8193     2.2901 
   H 128    5.1927     6.3328     3.6199     5.8193     2.6199     6.4222 
   H 129    5.7470     7.4204     4.0506     6.9482     3.1021     7.5716 
   H 130    6.5339     8.1306     4.8280     7.6119     3.8917     8.1849 
   H 131    8.4394     4.8281     8.1306     3.8918     7.6119     3.1513 
   H 132    7.6680     4.0506     7.4205     3.1022     6.9483     2.4059 
   H 133    5.8808     8.7923     4.2099     8.5255     3.6200     9.2901 
   H 134    8.6200     4.2100     8.7923     3.6200     8.5255     2.6199 
   H 135    9.5825     5.7414     9.3255     4.8708     8.8161     4.0130 
   H 136    7.4716     9.3255     5.7414     8.8161     4.8707     9.3864 

              C  55      C  56      C  57      C  58      C  59      C  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56    6.9999     0.0000 
   C  57    1.0000     6.9282     0.0000 
   C  58    7.9372     1.0000     7.8102     0.0000 
   C  59    1.7320     7.8102     1.0000     8.6602     0.0000 
   C  60    8.1853     1.7320     7.9373     1.0000     8.7178     0.0000 
   C  61    2.6457     7.9372     1.7320     8.7178     1.0000     8.6603 
   H  62   11.1996    13.2649    12.1914    14.0881    12.8185    14.9891 
   H  63   11.4623    13.6700    12.4574    14.4993    13.0625    15.3959 
   H  64   10.6108    13.5178    11.6107    14.3990    12.1421    15.2497 
   H  65    9.0126    10.7709     9.9832    11.6092    10.6929    12.4984 
   H  66    8.9233    11.8924     9.9225    12.7952    10.4882    13.6216 
   H  67    9.6966    13.3250    10.6907    14.2512    11.1363    15.0454 
   H  68   10.4904    14.0505    11.4837    14.9674    11.9204    15.7750 
   H  69   13.4315    16.2673    14.4305    17.1199    14.9202    17.9980 
   H  70   11.3559    13.0456    12.3389    13.8411    13.0059    14.7604 
   H  71   11.0285    12.3533    11.9975    13.1280    12.7089    14.0591 
   H  72   11.8697    13.9727    12.8640    14.7902    13.4744    15.6953 
   H  73   10.3128    11.4899    11.2705    12.2669    12.0097    13.1964 
   H  74    9.4834    10.8440    10.4416    11.6494    11.1804    12.5619 
   H  75   13.6200    16.1830    14.6199    17.0155    15.1441    17.9099 
   H  76   13.3899    15.6420    14.3884    16.4543    14.9563    17.3633 
   H  77   11.1857    14.9294    12.1719    15.8507    12.5631    16.6518 
   H  78   11.5691    15.5774    12.5437    16.5096    12.8815    17.2937 
   H  79    8.5262    11.0393     9.5172    11.9255    10.1541    12.7710 
   H  80    8.0550    11.1398     9.0537    12.0583     9.6306    12.8643 
   H  81    8.8258    12.0069     9.8257    12.9207    10.3643    13.7330 
   H  82    7.5806     9.8603     8.5572    10.7520     9.2523    11.5916 
   H  83   14.3253    17.5178    15.3183    18.3880    15.7430    19.2498 
   H  84   14.0024    16.9329    15.0000    17.7878    15.4678    18.6638 
   H  85   10.7278    14.0341    11.7250    14.9360    12.1958    15.7632 
   H  86   10.4177    14.1558    11.4068    15.0818    11.8163    15.8760 
   H  87   11.2529    15.0207    12.2380    15.9428    12.6238    16.7427 
   H  88   12.3375    16.4475    13.3040    17.3811    13.6088    18.1628 
   H  89   13.1348    17.1695    14.1019    18.0957    14.4064    18.8891 
   H  90   14.2105    17.6650    15.1972    18.5525    15.5829    19.3962 
   H  91    8.3553    12.1996     9.3493    13.1455     9.7995    13.9070 
   H  92    8.5572     9.9726     9.5074    10.8013    10.2635    11.6975 
   H  93    8.0587     9.1797     8.9848    10.0051     9.7814    10.9035 
   H  94   13.2116    14.8555    14.1998    15.6241    14.8425    16.5591 
   H  95    7.0617     9.8234     8.0494    10.7436     8.7059    11.5478 
   H  96    7.1976    10.5178     8.1966    11.4562     8.7718    12.2321 
   H  97    8.0561    11.0576     9.0540    11.9726     9.6423    12.7835 
   H  98    6.3804     8.2754     7.3174     9.1797     8.0990    10.0051 
   H  99    6.9001     9.0712     7.8630     9.9725     8.5952    10.8013 
   H 100   14.5507    18.4993    15.5171    19.4148    15.8155    20.2236 
   H 101    6.8164     6.5339     7.5914     7.3421     8.5193     8.2506 
   H 102    6.6108     5.7469     7.3135     6.5469     8.2727     7.4597 
   H 103    4.8211     7.3135     5.7470     8.2727     6.5470     9.0124 
   H 104    5.6148     7.5915     6.5339     8.5194     7.3421     9.3137 
   H 105    5.0467     4.8211     5.6837     5.7470     6.6599     6.5470 
   H 106    5.1817     5.6148     5.9216     6.5338     6.8641     7.3421 
   H 107    4.8281     5.9216     5.6148     6.8641     6.5339     7.6375 
   H 108    4.0507     5.6837     4.8211     6.6599     5.7470     7.3614 
   H 109    3.1022     6.9906     4.0507     7.9886     4.8211     8.5792 
   H 110    3.8918     7.0886     4.8281     8.0745     5.6148     8.7386 
   H 111    6.4872     4.8281     7.0887     5.6148     8.0746     6.5339 
   H 112    6.4872     4.0507     6.9906     4.8211     7.9886     5.7470 
   H 113    4.9562     3.5191     5.3800     4.4726     6.3799     5.2330 
   H 114    2.8292     5.3799     3.5192     6.3799     4.4726     6.9343 
   H 115    6.0634     1.2346     6.1257     2.2145     7.0643     2.9435 
   H 116    1.6200     5.8141     2.2901     6.7959     3.2380     7.1975 
   H 117    7.4715     0.8743     7.4970     1.2347     8.4157     2.2146 
   H 118    0.6200     7.4969     0.8743     8.4157     1.2347     8.6142 
   H 119    5.2330     1.7732     5.2101     2.7431     6.1257     3.2070 
   H 120    1.8396     5.2100     1.7733     6.1257     2.7430     6.3470 
   H 121    7.1150     0.6200     6.9559     0.8743     7.7951     1.2347 
   H 122    1.6199     6.9559     0.6200     7.7951     0.8743     7.8438 
   H 123    8.3333     1.8397     8.4158     1.7733     9.3512     2.7431 
   H 124    1.4158     8.4157     1.8397     9.3511     1.7733     9.5825 
   H 125    7.8437     0.8743     7.7951     0.6200     8.6824     1.6200 
   H 126    1.2347     7.7951     0.8743     8.6824     0.6200     8.8105 
   H 127    6.4222     1.4157     6.1648     1.8396     6.9559     1.7732 
   H 128    2.2900     6.1648     1.4157     6.9559     1.8396     6.9387 
   H 129    2.4059     7.3173     1.4156     8.0989     1.0812     8.0504 
   H 130    3.1512     7.8629     2.1828     8.5951     1.5967     8.4683 
   H 131    8.1848     2.1829     7.8630     1.5968     8.5951     0.6200 
   H 132    7.5715     1.4155     7.3174     1.0812     8.0990     0.6200 
   H 133    2.6200     9.2024     2.2900    10.0650     1.4158    10.1333 
   H 134    9.2899     2.2901     9.2024     1.4158    10.0650     1.8397 
   H 135    9.3863     3.1407     9.0479     2.2900     9.7593     1.4157 
   H 136    4.0130     9.0478     3.1407     9.7593     2.2900     9.5919 

              C  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   C  61    0.0000 
   H  62   13.8026     0.0000 
   H  63   14.0510     0.4356     0.0000 
   H  64   13.1396     1.5645     1.4140     0.0000 
   H  65   11.6522     2.5098     2.9025     2.9620     0.0000 
   H  66   11.4818     2.4584     2.6159     1.7320     1.9316     0.0000 
   H  67   12.1360     2.9791     2.8846     1.4767     3.5075     1.6309 
   H  68   12.9199     2.8418     2.6359     1.2868     3.9343     2.2128 
   H  69   15.9200     3.1258     2.6914     2.8728     5.5167     4.6048 
   H  70   13.9802     0.6794     1.0240     2.2293     2.4311     2.8707 
   H  71   13.6685     1.4180     1.8204     2.8336     2.0163     3.0268 
   H  72   14.4620     0.7183     0.4185     1.7677     3.2266     3.0343 
   H  73   12.9577     2.0490     2.4828     3.1937     1.3848     2.8907 
   H  74   12.1282     2.4598     2.8863     3.2427     0.6504     2.4866 
   H  75   16.1426     2.9340     2.5165     3.0093     5.4122     4.7188 
   H  76   15.9508     2.3883     2.0139     2.8562     4.8981     4.4696 
   H  77   13.5598     3.4219     3.1305     1.9772     4.8002     3.1100 
   H  78   13.8721     4.1871     3.8732     2.7732     5.5844     3.8457 
   H  79   11.1349     2.6746     2.9613     2.4801     1.1136     0.9679 
   H  80   10.6224     3.2372     3.4414     2.6008     1.9788     0.8743 
   H  81   11.3608     2.7048     2.8212     1.7852     2.2596     0.3475 
   H  82   10.2159     3.7274     4.0596     3.6630     1.4477     2.0576 
   H  83   16.7415     4.4969     4.0613     4.0112     6.8198     5.7071 
   H  84   16.4677     3.7926     3.3590     3.5012     6.1867     5.2295 
   H  85   13.1958     2.3551     2.1267     0.8384     3.6877     2.1417 
   H  86   12.8144     3.2024     2.9976     1.6439     4.1981     2.4036 
   H  87   13.6199     3.5019     3.2048     2.0678     4.8970     3.2060 
   H  88   14.5939     4.8424     4.4899     3.5316     6.4104     4.7081 
   H  89   15.3911     5.1942     4.8074     4.0310     6.9721     5.3580 
   H  90   16.5783     4.8494     4.4174     4.1564     7.0583     5.7881 
   H  91   10.7994     3.7279     3.7727     2.5086     3.2797     1.4673 
   H  92   11.2029     3.2926     3.6987     3.7758     0.8250     2.5853 
   H  93   10.6986     4.0856     4.4943     4.5406     1.6163     3.2280 
   H  94   15.8237     2.0352     1.8795     3.2044     4.3314     4.4757 
   H  95    9.6809     4.1487     4.4386     3.8308     2.0759     2.1154 
   H  96    9.7634     4.0790     4.2963     3.4360     2.4817     1.7262 
   H  97   10.6324     3.2026     3.4217     2.6320     1.8578     0.9000 
   H  98    9.0238     5.2589     5.6157     5.2624     2.8027     3.6172 
   H  99    9.5442     4.5193     4.8619     4.4668     2.1314     2.8227 
   H 100   16.7985     6.0988     5.6795     5.1586     8.1197     6.6303 
   H 101    9.3136     6.7462     7.1589     7.1512     4.2798     5.6711 
   H 102    9.0123     7.5422     7.9555     7.9387     5.0765     6.4359 
   H 103    7.4597     6.7257     7.0559     6.5265     4.3361     4.8065 
   H 104    8.2505     6.0832     6.4335     6.0188     3.6371     4.3344 
   H 105    7.3613     8.5934     8.9793     8.7234     6.0838     7.0770 
   H 106    7.6375     7.8163     8.1980     7.9269     5.3083     6.2805 
   H 107    7.3421     7.6863     8.0542     7.7008     5.1936     6.0230 
   H 108    6.5469     8.2878     8.6398     8.1885     5.8247     6.4785 
   H 109    5.7470     8.2157     8.5094     7.7986     5.9408     6.0711 
   H 110    6.5339     7.5172     7.8265     7.1894     5.1922     5.4574 
   H 111    8.7387     8.4762     8.8901     8.8646     6.0112     7.3417 
   H 112    8.5792     9.2725     9.6868     9.6553     6.8080     8.1190 
   H 113    6.9342     9.9285    10.3168    10.0616     7.4187     8.4067 
   H 114    5.2330     9.4418     9.7728     9.2034     7.0283     7.4731 
   H 115    7.3256    12.1150    12.5143    12.3220     9.6119    10.6832 
   H 116    4.0130    10.2901    10.5940     9.8998     7.9573     8.1724 
   H 117    8.6142    12.8787    13.2926    13.2252    10.4092    11.6430 
   H 118    2.2146    11.5887    11.8365    10.9342     9.4588     9.2696 
   H 119    6.3470    12.2912    12.6754    12.3721     9.7817    10.6908 
   H 120    3.2069    11.7222    12.0344    11.3626     9.3546     9.6337 
   H 121    7.8437    13.8328    14.2348    14.0539    11.3334    12.4141 
   H 122    1.2347    12.8069    13.0748    12.2307    10.5876    10.5421 
   H 123    9.5825    12.8763    13.2993    13.3381    10.4545    11.8168 
   H 124    2.7430    11.2872    11.5048    10.5155     9.2913     8.9028 
   H 125    8.8105    13.5364    13.9505    13.8816    11.0674    12.2958 
   H 126    1.6199    12.2096    12.4506    11.5238    10.1021     9.8727 
   H 127    6.9387    13.9875    14.3768    14.0980    11.4779    12.4207 
   H 128    1.7733    13.2345    13.5252    12.7597    10.9307    11.0473 
   H 129    0.6201    13.6047    13.8682    13.0057    11.3972    11.3252 
   H 130    0.6200    14.3437    14.5996    13.7092    12.1612    12.0415 
   H 131    8.4683    15.4348    15.8370    15.6496    12.9356    14.0030 
   H 132    8.0505    14.6435    15.0447    14.8527    12.1429    13.2060 
   H 133    1.8397    12.9670    13.1706    12.1358    11.0136    10.5591 
   H 134   10.1333    14.6073    15.0298    15.0528    12.1800    13.5135 
   H 135    9.5919    16.3724    16.7820    16.6558    13.8883    15.0331 
   H 136    1.4157    15.0686    15.3008    14.3364    12.9755    12.7097 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    0.7971     0.0000 
   H  69    3.8165     3.0760     0.0000 
   H  70    3.6041     3.5128     3.5856     0.0000 
   H  71    4.0711     4.1120     4.4141     0.8294     0.0000 
   H  72    3.2443     2.9295     2.5145     1.0720     1.9014     0.0000 
   H  73    4.2101     4.4078     5.1569     1.6106     0.8637     2.6535 
   H  74    3.9911     4.3334     5.5696     2.2067     1.6106     3.1467 
   H  75    4.1328     3.4433     0.6280     3.2969     4.1108     2.2554 
   H  76    4.1678     3.5759     1.3533     2.6384     3.4249     1.6725 
   H  77    1.6127     0.8972     2.7408     4.1007     4.7817     3.3379 
   H  78    2.2688     1.6543     3.0085     4.8632     5.5633     4.0462 
   H  79    2.5979     3.1629     5.2966     2.8727     2.7530     3.3577 
   H  80    2.2036     2.9108     5.4717     3.5602     3.5581     3.8574 
   H  81    1.3883     2.0480     4.6355     3.1585     3.3553     3.2385 
   H  82    3.6206     4.2651     6.4744     3.7920     3.4587     4.4358 
   H  83    4.6298     3.8350     1.3954     4.9782     5.8072     3.9063 
   H  84    4.3350     3.5643     0.6710     4.2356     5.0618     3.1679 
   H  85    1.0965     0.5206     2.7313     3.0317     3.6675     2.4110 
   H  86    0.8308     0.3620     3.2817     3.8721     4.4610     3.2879 
   H  87    1.7009     0.9934     2.7345     4.1802     4.8666     3.4048 
   H  88    3.1414     2.5026     3.0841     5.5055     6.2475     4.6031 
   H  89    3.8448     3.1472     2.9500     5.8313     6.6121     4.8552 
   H  90    4.5599     3.7658     1.8786     5.3819     6.2095     4.3153 
   H  91    1.3414     2.1356     5.1318     4.2376     4.4784     4.1778 
   H  92    4.2081     4.6956     6.3347     3.1304     2.5744     4.0028 
   H  93    4.8582     5.3991     7.1310     3.8955     3.2854     4.7932 
   H  94    4.6712     4.2641     2.7199     1.9003     2.5034     1.4685 
   H  95    3.5100     4.2273     6.6960     4.3000     4.0508     4.8354 
   H  96    2.8318     3.5967     6.2975     4.3638     4.2800     4.7111 
   H  97    2.3017     2.9948     5.5048     3.5035     3.4750     3.8357 
   H  98    5.0966     5.7925     8.0749     5.2338     4.7610     5.9754 
   H  99    4.3244     5.0071     7.2870     4.5427     4.1377     5.2319 
   H 100    5.1884     4.4488     3.3089     6.6807     7.4975     5.6353 
   H 101    7.2502     7.8838     9.7965     6.5117     5.8287     7.4484 
   H 102    7.9989     8.6476    10.5932     7.3008     6.6077     8.2434 
   H 103    6.0840     6.8441     9.3905     6.7568     6.3221     7.4343 
   H 104    5.7338     6.4620     8.8556     6.0679     5.5926     6.7984 
   H 105    8.5061     9.2294    11.5138     8.4568     7.8444     9.3104 
   H 106    7.7174     8.4367    10.7211     7.6967     7.1040     8.5340 
   H 107    7.4090     8.1452    10.5254     7.6103     7.0589     8.4044 
   H 108    7.7725     8.5328    11.0419     8.2542     7.7395     9.0037 
   H 109    7.0985     7.8912    10.6661     8.3206     7.9521     8.9061 
   H 110    6.5947     7.3774    10.0622     7.5919     7.1961     8.2163 
   H 111    8.8879     9.5503    11.5279     8.2283     7.5264     9.1764 
   H 112    9.6525    10.3244    12.3246     9.0202     8.3123     9.9720 
   H 113    9.8128    10.5457    12.8552     9.7790     9.1498    10.6448 
   H 114    8.6293     9.4127    12.0749     9.4572     8.9849    10.1511 
   H 115   12.1020    12.8321    15.0907    11.9203    11.2486    12.8266 
   H 116    9.1724     9.9677    12.7668    10.3651     9.9510    10.9867 
   H 117   13.1251    13.8286    15.9243    12.6214    11.9027    13.5781 
   H 118    9.9598    10.7484    13.7280    11.7720    11.4746    12.2474 
   H 119   12.0333    12.7867    15.1893    12.1497    11.5205    13.0083 
   H 120   10.6381    11.4337    14.2311    11.7748    11.3310    12.4233 
   H 121   13.8248    14.5586    16.8192    13.6247    12.9400    14.5426 
   H 122   11.3075    12.1001    15.0500    12.9497    12.6008    13.4808 
   H 123   13.3478    14.0225    15.9635    12.5704    11.8203    13.5613 
   H 124    9.4486    10.2246    13.2519    11.5244    11.2937    11.9208 
   H 125   13.7723    14.4788    16.5824    13.2770    12.5561    14.2355 
   H 126   10.5165    11.3008    14.3003    12.4039    12.1172    12.8630 
   H 127   13.7649    14.5188    16.9079    13.8260    13.1772    14.7032 
   H 128   11.9173    12.7137    15.6073    13.3306    12.9282    13.9236 
   H 129   12.0559    12.8459    15.8141    13.7545    13.4110    14.2756 
   H 130   12.7242    13.5102    16.5005    14.5067    14.1765    15.0089 
   H 131   15.3985    16.1382    18.4200    15.2240    14.5352    16.1443 
   H 132   14.6039    15.3424    17.6246    14.4377    13.7534    15.3538 
   H 133   11.0058    11.7665    14.8215    13.2238    13.0113    13.5880 
   H 134   15.0276    15.7137    17.6916    14.3023    13.5511    15.2930 
   H 135   16.4607    17.1894    19.3942    16.1302    15.4180    17.0760 
   H 136   13.2687    14.0414    17.0750    15.2734    14.9907    15.7149 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8295     0.0000 
   H  75    4.9016     5.3924     0.0000 
   H  76    4.2478     4.8052     0.7983     0.0000 
   H  77    5.1700     5.1662     3.2328     3.5624     0.0000 
   H  78    5.9668     5.9613     3.5782     4.0394     0.7982     0.0000 
   H  79    2.3548     1.7483     5.3204     4.9498     4.0586     4.8061 
   H  80    3.2231     2.6212     5.5931     5.3350     3.7926     4.4723 
   H  81    3.2376     2.8273     4.7944     4.6000     2.9384     3.6443 
   H  82    2.8119     2.0043     6.4786     6.0693     5.1613     5.8791 
   H  83    6.5387     6.9177     1.8377     2.6360     3.2053     3.1136 
   H  84    5.8171     6.2397     1.0395     1.8377     3.0951     3.2053 
   H  85    4.0252     4.0276     3.0364     3.1031     1.1470     1.9452 
   H  86    4.7332     4.6245     3.6903     3.8738     0.7933     1.4479 
   H  87    5.2612     5.2615     3.2390     3.5889     0.0971     0.7057 
   H  88    6.7121     6.7595     3.7027     4.2946     1.6134     0.8728 
   H  89    7.1494     7.2727     3.5766     4.2638     2.2523     1.6134 
   H  90    6.8980     7.2126     2.4095     3.2004     3.0253     2.7737 
   H  91    4.3521     3.8870     5.4065     5.3525     2.8838     3.4189 
   H  92    1.7765     0.9643     6.2143     5.6746     5.5747     6.3498 
   H  93    2.4446     1.6932     7.0104     6.4636     6.2883     7.0509 
   H  94    3.3671     4.0701     2.1769     1.3803     4.5007     5.1072 
   H  95    3.4586     2.6699     6.7618     6.4202     5.1073     5.7754 
   H  96    3.8331     3.1274     6.4389     6.1931     4.4445     5.0621 
   H  97    3.1181     2.5025     5.6117     5.3355     3.8811     4.5701 
   H  98    3.9825     3.1624     8.0667     7.6296     6.6811     7.3649 
   H  99    3.4146     2.5853     7.2914     6.8741     5.8984     6.5929 
   H 100    8.1272     8.3527     3.8682     4.6514     3.5762     3.0129 
   H 101    4.9651     4.3113     9.6754     9.1140     8.7811     9.5076 
   H 102    5.7441     5.1036    10.4720     9.9078     9.5444    10.2622 
   H 103    5.5556     4.7324     9.4414     9.0619     7.6967     8.3035 
   H 104    4.8060     3.9902     8.8673     8.4468     7.3382     7.9903 
   H 105    6.9913     6.2594    11.4712    10.9817    10.1088    10.7628 
   H 106    6.2574     5.5083    10.6845    10.2038     9.3178     9.9770 
   H 107    6.2279     5.4507    10.5171    10.0669     9.0172     9.6566 
   H 108    6.9235     6.1289    11.0679    10.6532     9.3851     9.9867 
   H 109    7.2197     6.3909    10.7871    10.4833     8.6794     9.1880 
   H 110    6.4495     5.6222    10.1533     9.8168     8.1965     8.7496 
   H 111    6.6633     6.0346    11.4066    10.8396    10.4462    11.1549 
   H 112    7.4500     6.8291    12.2033    11.6343    11.2192    11.9210 
   H 113    8.2919     7.5764    12.8113    12.3167    11.4201    12.0610 
   H 114    8.1874     7.3788    12.1458    11.7777    10.2292    10.7720 
   H 115   10.3851     9.7142    15.0222    14.4983    13.7083    14.3511 
   H 116    9.1835     8.3617    12.8877    12.5761    10.7381    11.2158 
   H 117   11.0425    10.4343    15.8091    15.2395    14.7165    15.3897 
   H 118   10.7781     9.9490    13.9398    13.7391    11.4132    11.7605 
   H 119   10.6620     9.9478    15.1619    14.6793    13.6460    14.2534 
   H 120   10.5443     9.7302    14.3461    14.0236    12.2003    12.6691 
   H 121   12.0763    11.4207    16.7452    16.2133    15.4328    16.0695 
   H 122   11.8677    11.0394    15.2399    15.0076    12.7844    13.1499 
   H 123   10.9703    10.4173    15.8097    15.2053    14.9171    15.6165 
   H 124   10.6456     9.8227    13.5019    13.3532    10.8408    11.1362 
   H 125   11.6964    11.0912    16.4670    15.8963    15.3658    16.0356 
   H 126   11.4265    10.5976    14.5252    14.3401    11.9455    12.2681 
   H 127   12.3154    11.6202    16.8708    16.3755    15.3776    15.9824 
   H 128   12.1623    11.3404    15.7643    15.4894    13.4320    13.8367 
   H 129   12.6801    11.8516    16.0142    15.7932    13.5144    13.8597 
   H 130   13.4527    12.6237    16.7149    16.5112    14.1582    14.4782 
   H 131   13.6717    13.0208    18.3473    17.8149    17.0086    17.6361 
   H 132   12.8898    12.2334    17.5541    17.0248    16.2136    16.8431 
   H 133   12.3721    11.5505    15.0998    14.9857    12.3327    12.5684 
   H 134   12.7017    12.1486    17.5409    16.9373    16.6064    17.2960 
   H 135   14.5569    13.9369    19.2976    18.7414    18.0667    18.7094 
   H 136   14.2973    13.4681    17.3256    17.1689    14.6393    14.9023 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    0.8768     0.0000 
   H  81    1.2400     0.8768     0.0000 
   H  82    1.1837     1.4668     2.2352     0.0000 
   H  83    6.4892     6.5454     5.6773     7.6728     0.0000 
   H  84    5.9472     6.0900     5.2413     7.1276     0.7983     0.0000 
   H  85    3.0372     2.9328     2.0565     4.1892     3.6406     3.2756 
   H  86    3.3684     3.0307     2.1965     4.4313     3.9278     3.7258 
   H  87    4.1553     3.8851     3.0325     5.2566     3.1573     3.0698 
   H  88    5.6643     5.3449     4.5140     6.7477     2.7883     3.0942 
   H  89    6.2976     6.0407     5.1905     7.4123     2.3067     2.7883 
   H  90    6.6273     6.5944     5.7180     7.8047     0.6739     1.3988 
   H  91    2.1790     1.4157     1.1265     2.8526     5.9704     5.6684 
   H  92    1.6436     2.3864     2.8803     1.2868     7.6435     7.0052 
   H  93    2.2604     2.8598     3.4893     1.4766     8.4358     7.8013 
   H  94    4.6888     5.2715     4.6965     5.6765     4.0125     3.2145 
   H  95    1.4777     1.3166     2.1883     0.6950     7.8223     7.3316 
   H  96    1.5273     0.8590     1.6633     1.4158     7.3288     6.9045 
   H  97    0.7650     0.1322     0.9496     1.3470     6.5968     6.1287 
   H  98    2.7854     2.8932     3.7445     1.6022     9.2733     8.7292 
   H  99    1.9925     2.1230     2.9601     0.8135     8.4780     7.9392 
   H 100    7.5417     7.3595     6.4941     8.6868     2.1171     2.8673 
   H 101    4.7335     5.0722     5.8647     3.6297    11.0918    10.4664 
   H 102    5.5078     5.8081     6.6179     4.3843    11.8865    11.2631 
   H 103    4.1229     3.9721     4.8474     2.9986    10.5120    10.0273 
   H 104    3.5592     3.5521     4.4242     2.3887    10.0275     9.5045 
   H 105    6.2437     6.3186     7.1862     5.0604    12.7326    12.1735 
   H 106    5.4474     5.5263     6.3922     4.2639    11.9365    11.3800 
   H 107    5.2313     5.2377     6.1114     4.0511    11.7113    11.1782 
   H 108    5.7513     5.6544     6.5308     4.5910    12.1855    11.6851 
   H 109    5.5487     5.1984     6.0333     4.5290    11.6837    11.2744 
   H 110    4.8680     4.5938     5.4514     3.8033    11.1264    10.6838 
   H 111    6.4232     6.6891     7.5129     5.2853    12.8191    12.1976 
   H 112    7.2075     7.4505     8.2829     6.0615    13.6143    12.9943 
   H 113    7.5825     7.6359     8.5072     6.3989    14.0716    13.5148 
   H 114    6.8337     6.6162     7.4795     5.7153    13.1565    12.7026 
   H 115    9.8420     9.9215    10.7910     8.6604    16.3275    15.7541 
   H 116    7.6330     7.2997     8.1329     6.5783    13.7735    13.3732 
   H 117   10.7586    10.9253    11.7806     9.5919    17.2033    16.5932 
   H 118    8.9223     8.4088     9.1531     8.0178    14.5786    14.2845 
   H 119    9.9001     9.8911    10.7674     8.7178    16.3827    15.8449 
   H 120    9.0757     8.7619     9.5983     8.0000    15.2409    14.8391 
   H 121   11.5740    11.6487    12.5194    10.3923    18.0590    17.4833 
   H 122   10.1325     9.6730    10.4457     9.1652    15.9344    15.6187 
   H 123   10.9013    11.1447    11.9804     9.7594    17.2738    16.6344 
   H 124    8.6531     8.0634     8.7533     7.8438    14.0325    13.7835 
   H 125   11.4139    11.5738    12.4308    10.2459    17.8609    17.2514 
   H 126    9.5480     9.0165     9.7467     8.6590    15.1240    14.8479 
   H 127   11.6235    11.6229    12.4991    10.4404    18.1091    17.5653 
   H 128   10.5659    10.1733    10.9777     9.5394    16.5460    16.1940 
   H 129   10.9309    10.4582    11.2216     9.9725    16.6775    16.3761 
   H 130   11.6722    11.1784    11.9277    10.7313    17.3354    17.0532 
   H 131   13.1696    13.2301    14.1026    11.9871    19.6564    19.0837 
   H 132   12.3726    12.4340    13.3063    11.1901    18.8597    18.2880 
   H 133   10.3511     9.7337    10.3925     9.5668    15.5369    15.3307 
   H 134   12.6068    12.8242    13.6681    11.4562    18.9980    18.3624 
   H 135   14.1782    14.2786    15.1467    13.0000    20.6527    20.0610 
   H 136   12.4131    11.8613    12.5694    11.5326    17.8382    17.6029 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    0.8768     0.0000 
   H  87    1.2400     0.8768     0.0000 
   H  88    2.7327     2.3179     1.5163     0.0000 
   H  89    3.2897     3.0140     2.1580     0.7982     0.0000 
   H  90    3.6616     3.7966     2.9608     2.2985     1.7129     0.0000 
   H  91    2.4009     2.0938     2.9620     4.2752     5.0317     5.8833 
   H  92    4.4797     4.9395     5.6718     7.1879     7.7689     7.8829 
   H  93    5.2163     5.6219     6.3854     7.9005     8.5042     8.6659 
   H  94    3.7460     4.6086     4.5495     5.4969     5.5608     4.5801 
   H  95    4.2368     4.3399     5.1993     6.6481     7.3529     7.8956 
   H  96    3.6919     3.6576     4.5321     5.9307     6.6627     7.3399 
   H  97    2.9977     3.1256     3.9743     5.4422     6.1316     6.6579 
   H  98    5.7589     5.9238     6.7744     8.2377     8.9318     9.3946 
   H  99    4.9640     5.1482     5.9924     7.4651     8.1504     8.5976 
   H 100    4.5044     4.3620     3.4875     2.2132     1.4161     1.4685 
   H 101    7.7685     8.0600     8.8771    10.3749    11.0274    11.3005 
   H 102    8.5449     8.8144     9.6400    11.1316    11.7938    12.0907 
   H 103    6.9038     6.9094     7.7843     9.1677     9.9097    10.5648 
   H 104    6.4683     6.5646     7.4294     8.8618     9.5785    10.1224 
   H 105    9.2179     9.3369    10.2004    11.6341    12.3509    12.8586 
   H 106    8.4217     8.5480     9.4097    10.8489    11.5619    12.0616 
   H 107    8.1571     8.2393     9.1076    10.5263    11.2518    11.8111 
   H 108    8.5873     8.5972     9.4725    10.8488    11.5946    12.2488 
   H 109    8.0433     7.8876     8.7584    10.0206    10.7983    11.6569 
   H 110    7.4908     7.4033     8.2795     9.5988    10.3630    11.1343 
   H 111    9.4600     9.7080    10.5413    12.0260    12.6976    13.0186 
   H 112   10.2429    10.4755    11.3139    12.7929    13.4713    13.8103 
   H 113   10.5460    10.6433    11.5108    12.9305    13.6561    14.1919 
   H 114    9.5235     9.4359    10.3116    11.6160    12.3853    13.1694 
   H 115   12.8243    12.9326    13.7992    15.2206    15.9457    16.4628 
   H 116   10.1344     9.9493    10.8145    12.0329    12.8189    13.7321 
   H 117   13.7807    13.9546    14.8096    16.2622    16.9660    17.3812 
   H 118   11.0096    10.6568    11.4767    12.5077    13.3059    14.4375 
   H 119   12.8195    12.8599    13.7341    15.1157    15.8607    16.4776 
   H 120   11.6018    11.4124    12.2761    13.4805    14.2688    15.1976 
   H 121   14.5548    14.6551    15.5233    16.9378    17.6672    18.1946 
   H 122   12.3435    12.0209    12.8500    13.9056    14.7037    15.8097 
   H 123   13.9380    14.1719    15.0118    16.4888    17.1693    17.4888 
   H 124   10.5214    10.1050    10.8987    11.8524    12.6493    13.8534 
   H 125   14.4343    14.6022    15.4587    16.9080    17.6144    18.0375 
   H 126   11.5758    11.1976    12.0065    12.9992    13.7970    14.9660 
   H 127   14.5507    14.5912    15.4656    16.8438    17.5906    18.2082 
   H 128   12.9272    12.6569    13.5017    14.6140    15.4104    16.4533 
   H 129   13.1006    12.7572    13.5780    14.6022    15.4003    16.5388 
   H 130   13.7794    13.4095    14.2192    15.2040    16.0015    17.1787 
   H 131   16.1425    16.2281    17.0985    18.5025    19.2376    19.7867 
   H 132   15.3457    15.4336    16.3036    17.7099    18.4438    18.9896 
   H 133   12.0918    11.6218    12.3845    13.2410    14.0316    15.3187 
   H 134   15.6412    15.8544    16.7006    18.1688    18.8586    19.2062 
   H 135   17.1748    17.2914    18.1577    19.5785    20.3045    20.8046 
   H 136   14.3442    13.9135    14.6944    15.5895    16.3823    17.6405 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92    3.7848     0.0000 
   H  93    4.2744     0.7970     0.0000 
   H  94    5.6460     5.0148     5.7627     0.0000 
   H  95    2.5266     1.9809     2.0775     6.1504     0.0000 
   H  96    1.7069     2.6367     2.8866     6.1141     0.8768     0.0000 
   H  97    1.5469     2.2546     2.7298     5.2378     1.2400     0.8768 
   H  98    4.1140     2.2063     1.6888     7.1341     1.5992     2.4188 
   H  99    3.4057     1.6888     1.4515     6.4385     0.8860     1.7577 
   H 100    6.4179     8.9343     9.6944     6.0271     8.6760     8.0193 
   H 101    6.3806     3.4641     2.6671     8.3320     3.8558     4.7107 
   H 102    7.0839     4.2612     3.4642     9.1108     4.5587     5.3939 
   H 103    4.8990     3.7808     3.2390     8.6536     2.6958     3.2523 
   H 104    4.6473     3.0298     2.4518     7.9682     2.2361     2.9448 
   H 105    7.4050     5.3282     4.5664    10.3291     5.0023     5.7106 
   H 106    6.6322     4.5664     3.8190     9.5774     4.2105     4.9324 
   H 107    6.2815     4.4926     3.7847     9.5038     3.9231     4.5962 
   H 108    6.5756     5.1652     4.4926    10.1535     4.3632     4.9407 
   H 109    5.7965     5.4580     4.9604    10.1989     4.0710     4.3701 
   H 110    5.3326     4.6812     4.1672     9.4798     3.3979     3.7989 
   H 111    7.9314     5.1961     4.3991    10.0279     5.4166     6.2298 
   H 112    8.6680     5.9932     5.1961    10.8121     6.1656     6.9623 
   H 113    8.6804     6.6547     5.8840    11.6425     6.3197     7.0000 
   H 114    7.3594     6.4155     5.7792    11.3567     5.3852     5.8321 
   H 115   10.9686     8.8238     8.0361    13.7518     8.6050     9.2901 
   H 116    7.8555     7.4075     6.8255    12.2545     6.1573     6.4698 
   H 117   12.0516     9.5971     8.8002    14.3967     9.6151    10.3524 
   H 118    8.6198     9.0354     8.5647    13.6110     7.4720     7.5498 
   H 119   10.8421     9.0237     8.2551    14.0140     8.5828     9.2024 
   H 120    9.3188     8.7691     8.1473    13.6700     7.6034     7.9350 
   H 121   12.6785    10.5403     9.7497    15.4430    10.3323    11.0075 
   H 122    9.9661    10.1013     9.5665    14.8134     8.6632     8.8161 
   H 123   12.3386     9.6320     8.8382    14.2906     9.8525    10.6317 
   H 124    8.1206     8.9467     8.5522    13.3212     7.2474     7.2111 
   H 125   12.6901    10.2552     9.4583    15.0487    10.2623    10.9933 
   H 126    9.1796     9.6872     9.2214    14.2355     8.1046     8.1580 
   H 127   12.5693    10.7084     9.9312    15.6771    10.3139    10.9337 
   H 128   10.5792    10.3861     9.7965    15.2145     9.0883     9.3254 
   H 129   10.7151    10.9143    10.3798    15.6147     9.4643     9.6002 
   H 130   11.3859    11.6902    11.1644    16.3595    10.2110    10.3195 
   H 131   14.2357    12.1423    11.3513    17.0377    11.9145    12.5751 
   H 132   13.4448    11.3513    10.5613    16.2565    11.1182    11.7816 
   H 133    9.6965    10.6779    10.2827    15.0023     8.9616     8.8881 
   H 134   13.9883    11.3584    10.5637    16.0186    11.5231    12.2838 
   H 135   15.3223    13.0833    12.2878    17.9140    12.9621    13.6478 
   H 136   11.9434    12.5531    12.0698    17.0978    10.9753    11.0047 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    2.8002     0.0000 
   H  99    2.0229     0.7970     0.0000 
   H 100    7.4426    10.2367     9.4472     0.0000 
   H 101    4.9616     2.3121     2.9752    12.2720     0.0000 
   H 102    5.7017     2.9753     3.6918    13.0494     0.7971     0.0000 
   H 103    3.9156     1.5763     2.2153    11.2714     2.6462     2.9532 
   H 104    3.4751     0.8348     1.5762    10.9101     2.1562     2.6464 
   H 105    6.2368     3.4641     4.2611    13.6782     2.2063     1.6888 
   H 106    5.4430     2.6671     3.4641    12.8853     1.6888     1.4515 
   H 107    5.1628     2.4519     3.2390    12.5917     1.9884     1.9015 
   H 108    5.5937     3.0298     3.7808    12.9592     2.7727     2.5913 
   H 109    5.1755     3.2787     3.8149    12.1998     4.0618     4.1032 
   H 110    4.5574     2.4902     3.0610    11.7500     3.3739     3.5152 
   H 111    6.5867     3.8190     4.5664    13.9640     1.7320     0.9350 
   H 112    7.3509     4.5664     5.3282    14.7457     2.5291     1.7320 
   H 113    7.5578     4.7999     5.5966    14.9934     3.3946     2.7170 
   H 114    6.5740     4.2290     4.9257    13.7770     4.0837     3.8001 
   H 115    9.8415     7.0686     7.8654    17.2805     5.4202     4.6496 
   H 116    7.2764     5.2012     5.8271    14.2281     5.3018     5.0347 
   H 117   10.8354     8.0360     8.8237    18.2709     6.1338     5.3370 
   H 118    8.4181     6.8792     7.3639    14.7194     7.4079     7.2191 
   H 119    9.8220     7.1158     7.9078    17.2216     5.7399     5.0188 
   H 120    8.7364     6.5700     7.2322    15.6800     6.3574     5.9514 
   H 121   11.5698     8.8002     9.5971    19.0064     7.1146     6.3323 
   H 122    9.6729     7.9060     8.4643    16.1184     8.0966     7.7819 
   H 123   11.0466     8.2552     9.0238    18.4418     6.1882     5.3995 
   H 124    8.0877     6.8673     7.2582    14.0560     7.6994     7.6093 
   H 125   11.4849     8.6864     9.4754    18.9225     6.7918     5.9950 
   H 126    9.0296     7.5353     8.0130    15.2072     8.0499     7.8432 
   H 127   11.5534     8.8382     9.6320    18.9530     7.3612     6.6082 
   H 128   10.1616     8.1798     8.7994    16.8265     8.0864     7.6820 
   H 129   10.4608     8.7195     9.2753    16.8128     8.8821     8.5458 
   H 130   11.1851     9.4996    10.0438    17.4099     9.6783     9.3367 
   H 131   13.1534    10.3923    11.1894    20.5839     8.7128     7.9279 
   H 132   12.3570     9.5953    10.3923    19.7887     7.9279     7.1457 
   H 133    9.7644     8.5967     8.9893    15.4221     9.3411     9.1922 
   H 134   12.7292     9.9311    10.7083    20.1426     7.9078     7.1157 
   H 135   14.1972    11.4161    12.2119    21.6380     9.6277     8.8335 
   H 136   11.8793    10.3885    10.8830    17.7776    10.7285    10.4270 

              H 103      H 104      H 105      H 106      H 107      H 108
              ------------------------------------------------------------------
   H 103    0.0000 
   H 104    0.7970     0.0000 
   H 105    2.5912     2.7728     0.0000 
   H 106    1.9015     1.9885     0.7970     0.0000 
   H 107    1.4515     1.6889     1.1417     0.5109     0.0000 
   H 108    1.6888     2.2063     1.3079     1.1417     0.7970     0.0000 
   H 109    1.7320     2.5291     2.9966     2.6947     2.2063     1.6888 
   H 110    0.9350     1.7320     2.6818     2.1997     1.6888     1.4515 
   H 111    3.5152     3.3740     1.4516     1.6889     2.1997     2.6819 
   H 112    4.1032     4.0618     1.6889     2.2063     2.6947     2.9967 
   H 113    3.8001     4.0838     1.3414     2.1355     2.4045     2.2194 
   H 114    2.7170     3.3946     2.2193     2.4045     2.1355     1.3414 
   H 115    6.0799     6.3704     3.6064     4.4027     4.6945     4.4500 
   H 116    3.6297     4.3842     3.4369     3.6323     3.3298     2.5340 
   H 117    7.2191     7.4080     4.6496     5.4201     5.7849     5.6644 
   H 118    5.3371     6.1338     5.6643     5.7849     5.4201     4.6496 
   H 119    5.9513     6.3574     3.6980     4.4781     4.6715     4.2669 
   H 120    5.0188     5.7400     4.2669     4.6715     4.4781     3.6980 
   H 121    7.7819     8.0967     5.3371     6.1338     6.4159     6.1275 
   H 122    6.3323     7.1146     6.1275     6.4159     6.1338     5.3371 
   H 123    7.6093     7.6996     5.0189     5.7400     6.1580     6.1580 
   H 124    5.3995     6.1882     6.1579     6.1579     5.7400     5.0188 
   H 125    7.8432     8.0500     5.2853     6.0615     6.4161     6.2659 
   H 126    5.9951     6.7918     6.2659     6.4161     6.0616     5.2853 
   H 127    7.6821     8.0866     5.3996     6.1882     6.3991     5.9960 
   H 128    6.6082     7.3612     5.9959     6.3991     6.1882     5.3995 
   H 129    7.1458     7.9279     6.8790     7.1972     6.9282     6.1312 
   H 130    7.9279     8.7127     7.6663     7.9929     7.7252     6.9282 
   H 131    9.3368     9.6784     6.9283     7.7253     7.9930     7.6664 
   H 132    8.5459     8.8821     6.1312     6.9282     7.1972     6.8790 
   H 133    7.1158     7.9078     7.6593     7.7489     7.3612     6.6082 
   H 134    9.1921     9.3412     6.6082     7.3612     7.7489     7.6593 
   H 135   10.4270    10.7285     7.9605     8.7549     9.0531     8.7728 
   H 136    8.8336     9.6277     8.7727     9.0531     8.7550     7.9604 

              H 109      H 110      H 111      H 112      H 113      H 114
              ------------------------------------------------------------------
   H 109    0.0000 
   H 110    0.7970     0.0000 
   H 111    4.3419     3.8882     0.0000 
   H 112    4.6852     4.3419     0.7970     0.0000 
   H 113    3.7365     3.6656     2.0355     1.6621     0.0000 
   H 114    1.6621     2.0354     3.6656     3.7364     2.3902     0.0000 
   H 115    5.7867     5.8601     3.7600     3.0232     2.2901     4.2029 
   H 116    2.1013     2.7751     4.8713     4.8712     3.3730     1.2347 
   H 117    7.1061     7.1061     4.4026     3.6063     3.4457     5.5677 
   H 118    3.6063     4.4026     7.1061     7.1061     5.5677     3.4457 
   H 119    5.3795     5.5835     4.2079     3.5650     2.3715     3.7288 
   H 120    3.5650     4.2079     5.5836     5.3795     3.7288     2.3716 
   H 121    7.3539     7.5043     5.4201     4.6496     4.0130     5.7152 
   H 122    4.6496     5.4201     7.5044     7.3539     5.7152     4.0130 
   H 123    7.6995     7.6093     4.4781     3.6981     3.9666     6.2450 
   H 124    3.6980     4.4781     7.6093     7.6995     6.2449     3.9665 
   H 125    7.6653     7.6994     5.0604     4.2639     4.0538     6.0937 
   H 126    4.2639     5.0605     7.6994     7.6652     6.0936     4.0538 
   H 127    7.0381     7.2905     5.7400     5.0189     4.0601     5.3763 
   H 128    5.0188     5.7400     7.2905     7.0380     5.3762     4.0601 
   H 129    5.4612     6.2332     8.2327     8.0422     6.3889     4.7998 
   H 130    6.2332     7.0108     9.0097     8.8000     7.1419     5.5966 
   H 131    8.8001     9.0097     7.0108     6.2332     5.5966     7.1419 
   H 132    8.0423     8.2327     6.2331     5.4611     4.7998     6.3890 
   H 133    5.3995     6.1882     9.1037     9.1036     7.5498     5.4400 
   H 134    9.1036     9.1036     6.1882     5.3995     5.4399     7.5497 
   H 135    9.9621    10.1420     7.9027     7.1101     6.6486     8.3092 
   H 136    7.1101     7.9027    10.1420     9.9621     8.3092     6.6486 

              H 115      H 116      H 117      H 118      H 119      H 120
              ------------------------------------------------------------------
   H 115    0.0000 
   H 116    4.7511     0.0000 
   H 117    1.4157     6.1647     0.0000 
   H 118    6.6018     2.2400     8.0020     0.0000 
   H 119    1.0000     4.0537     2.2900     5.7414     0.0000 
   H 120    4.3589     1.4673     5.7414     2.2900     3.4641     0.0000 
   H 121    1.7320     6.0359     1.4158     7.5792     2.0000     5.2915 
   H 122    6.2450     2.8059     7.5792     1.4158     5.2915     2.0000 
   H 123    2.2901     6.9559     1.0000     8.8822     3.2380     6.6487 
   H 124    7.4716     2.8736     8.8821     1.0000     6.6486     3.2379 
   H 125    1.8914     6.6109     0.6582     8.3506     2.6110     6.0677 
   H 126    6.9698     2.8292     8.3506     0.6582     6.0677     2.6110 
   H 127    2.0000     5.5039     2.2901     6.8428     1.7321     4.5826 
   H 128    5.5678     2.9788     6.8428     2.2900     4.5826     1.7320 
   H 129    6.7138     3.6063     7.9964     2.1013     5.7324     2.6629 
   H 130    7.3405     4.4026     8.5794     2.7751     6.3473     3.4289 
   H 131    3.3297     7.3030     2.7751     8.5794     3.4290     6.3473 
   H 132    2.5339     6.6084     2.1012     7.9965     2.6630     5.7325 
   H 133    8.4157     4.2400     9.7853     2.0000     7.4970     4.0601 
   H 134    3.3532     8.0773     2.0000     9.7853     4.0601     7.4969 
   H 135    4.3588     8.5025     3.5191     9.7747     4.5826     7.5498 
   H 136    8.5440     5.4271     9.7746     3.5191     7.5498     4.5825 

              H 121      H 122      H 123      H 124      H 125      H 126
              ------------------------------------------------------------------
   H 121    0.0000 
   H 122    6.9282     0.0000 
   H 123    2.2901     8.5256     0.0000 
   H 124    8.5255     2.2900     9.7341     0.0000 
   H 125    1.1391     7.8293     1.1972     9.2592     0.0000 
   H 126    7.8292     1.1390     9.2592     1.1972     8.6602     0.0000 
   H 127    1.0000     6.0828     3.2380     7.8144     2.1301     7.0383 
   H 128    6.0828     1.0000     7.8144     3.2379     7.0383     2.1301 
   H 129    7.2250     0.8135     8.9665     2.8259     8.1904     1.6309 
   H 130    7.7219     1.6021     9.5626     3.3572     8.7306     2.2127 
   H 131    1.6022     7.7220     3.3573     9.5625     2.2128     8.7306 
   H 132    0.8135     7.2251     2.8258     8.9665     1.6308     8.1905 
   H 133    9.2024     2.2900    10.7058     1.7320    10.0724     1.4674 
   H 134    2.2901     9.2024     1.7320    10.7057     1.4674    10.0723 
   H 135    2.6457     8.8882     3.8241    10.7603     2.8735     9.9125 
   H 136    8.8881     2.6457    10.7603     3.8242     9.9124     2.8735 

              H 127      H 128      H 129      H 130      H 131      H 132
              ------------------------------------------------------------------
   H 127    0.0000 
   H 128    5.1962     0.0000 
   H 129    6.3235     1.1540     0.0000 
   H 130    6.7848     1.7992     0.7970     0.0000 
   H 131    1.7991     6.7848     7.8679     8.2361     0.0000 
   H 132    1.1541     6.3236     7.4391     7.8680     0.7971     0.0000 
   H 133    8.3705     3.2379     2.2861     2.3980    10.0093     9.5144 
   H 134    3.2379     8.3704     9.5143    10.0093     2.3981     2.2859 
   H 135    3.0000     7.9373     8.9998     9.3297     1.2046     1.9203 
   H 136    7.9372     3.0000     1.9203     1.2046     9.3297     8.9999 

              H 133      H 134      H 135      H 136
              --------------------------------------------
   H 133    0.0000 
   H 134   11.4661     0.0000 
   H 135   11.1707     2.3716     0.0000 
   H 136    2.3716    11.1707    10.3923     0.0000 



ATOMIC CHARGES
   O   1   -0.3912198690
   O   2   -0.3914849297
   O   3   -0.3917766221
   O   4   -0.2756040241
   O   5   -0.2728820945
   O   6   -0.2728820945
   O   7   -0.3798742981
   O   8   -0.3798742981
   O   9   -0.3860721940
   O  10   -0.3860721940
   O  11   -0.3864869950
   O  12   -0.3864869950
   O  13   -0.3868696175
   O  14   -0.3868696175
   O  15   -0.3923761157
   O  16   -0.3923761157
   N  17   -0.3013754362
   N  18   -0.3130574448
   N  19   -0.3130574448
   C  20    0.0001286756
   C  21   -0.0275750840
   C  22   -0.0081387231
   C  23   -0.0275870770
   C  24   -0.0257423937
   C  25   -0.0304203437
   C  26    0.0614015320
   C  27   -0.0226405172
   C  28   -0.0306981149
   C  29   -0.0490059254
   C  30    0.0588672785
   C  31   -0.0491032161
   C  32   -0.0231537455
   C  33   -0.0447705044
   C  34   -0.0566812624
   C  35   -0.0400235165
   C  36   -0.0234326205
   C  37   -0.0590415132
   C  38   -0.0263360976
   C  39    0.0555435456
   C  40   -0.0419220425
   C  41   -0.0621337664
   C  42    0.0244054822
   C  43    0.2155680436
   C  44    0.0160749360
   C  45    0.0160749360
   C  46   -0.0215105514
   C  47   -0.0215105514
   C  48    0.0130913312
   C  49    0.0130913312
   C  50    0.2443121732
   C  51    0.2443121732
   C  52    0.1589602910
   C  53    0.1589602910
   C  54    0.1177994946
   C  55    0.1177994946
   C  56    0.1118435391
   C  57    0.1118435391
   C  58    0.1064999394
   C  59    0.1064999394
   C  60    0.0726504518
   C  61    0.0726504518
   H  62    0.0310484962
   H  63    0.0331348905
   H  64    0.0310477174
   H  65    0.0309506965
   H  66    0.0598787083
   H  67    0.0293150218
   H  68    0.0293150218
   H  69    0.0307715697
   H  70    0.0268302433
   H  71    0.0268302433
   H  72    0.0596094500
   H  73    0.0268290003
   H  74    0.0268290003
   H  75    0.0292973284
   H  76    0.0292973284
   H  77    0.0271483780
   H  78    0.0271483780
   H  79    0.0236044357
   H  80    0.0236044357
   H  81    0.0236044357
   H  82    0.0301081470
   H  83    0.0292881029
   H  84    0.0292881029
   H  85    0.0235242983
   H  86    0.0235242983
   H  87    0.0235242983
   H  88    0.0290196753
   H  89    0.0290196753
   H  90    0.0593143328
   H  91    0.2098003538
   H  92    0.0272458563
   H  93    0.0272458563
   H  94    0.2097884872
   H  95    0.0232504653
   H  96    0.0232504653
   H  97    0.0232504653
   H  98    0.0358420973
   H  99    0.0358420973
   H 100    0.2097762551
   H 101    0.0464900081
   H 102    0.0464900081
   H 103    0.0464900081
   H 104    0.0464900081
   H 105    0.0295422939
   H 106    0.0295422939
   H 107    0.0295422939
   H 108    0.0295422939
   H 109    0.0462377241
   H 110    0.0462377241
   H 111    0.0462377241
   H 112    0.0462377241
   H 113    0.1487567089
   H 114    0.1487567089
   H 115    0.0717404497
   H 116    0.0717404497
   H 117    0.0650908839
   H 118    0.0650908839
   H 119    0.2105421715
   H 120    0.2105421715
   H 121    0.0646741174
   H 122    0.0646741174
   H 123    0.2100189664
   H 124    0.2100189664
   H 125    0.0642894154
   H 126    0.0642894154
   H 127    0.2100035918
   H 128    0.2100035918
   H 129    0.0583605104
   H 130    0.0583605104
   H 131    0.0583605104
   H 132    0.0583605104
   H 133    0.2099892251
   H 134    0.2099892251
   H 135    0.2095078908
   H 136    0.2095078908


BOND ANGLES
  26    1   91   C3   O3   HO    120.002
  30    2   94   C3   O3   HO    120.007
  39    3  100   C3   O3   HO    120.008
  52    7  119   C3   O3   HO    120.002
  53    8  120   C3   O3   HO    119.999
  54    9  123   C3   O3   HO    119.995
  55   10  124   C3   O3   HO    120.008
  56   11  127   C3   O3   HO    120.002
  57   12  128   C3   O3   HO    119.999
  58   13  134   C3   O3   HO    120.006
  59   14  133   C3   O3   HO    120.008
  60   15  135   C3   O3   HO    119.999
  61   16  136   C3   O3   HO    120.002
  43   17   44   C2  Nam   C3    119.996
  43   17   45   C2  Nam   C3    120.005
  44   17   45   C3  Nam   C3    119.999
  48   18   50   C3  Nam   C2    120.001
  48   18  113   C3  Nam   HC    119.997
  50   18  113   C2  Nam   HC    120.001
  49   19   51   C3  Nam   C2    119.999
  49   19  114   C3  Nam   HC    120.006
  51   19  114   C2  Nam   HC    119.995
  21   20   25   C3   C3   C3    107.850
  21   20   26   C3   C3   C3    120.001
  21   20   34   C3   C3   C3    179.974
  25   20   26   C3   C3   C3    132.149
  25   20   34   C3   C3   C3     72.150
  26   20   34   C3   C3   C3     59.999
  20   21   22   C3   C3   C3    120.001
  20   21   29   C3   C3   C3    107.855
  20   21   62   C3   C3   HC    173.926
  22   21   29   C3   C3   C3    132.144
  22   21   62   C3   C3   HC     66.073
  29   21   62   C3   C3   HC     66.071
  21   22   23   C3   C3   C3    119.999
  21   22   30   C3   C3   C3    119.115
  21   22   63   C3   C3   HC     59.563
  23   22   30   C3   C3   C3    120.886
  23   22   63   C3   C3   HC    179.562
  30   22   63   C3   C3   HC     59.552
  22   23   24   C3   C3   C3    120.880
  22   23   27   C3   C3   C3    120.001
  22   23   64   C3   C3   HC     60.002
  24   23   27   C3   C3   C3    119.119
  24   23   64   C3   C3   HC    179.118
  27   23   64   C3   C3   HC     59.998
  23   24   28   C3   C3   C3    119.565
  23   24   33   C3   C3   C3    119.557
  23   24   37   C3   C3   C3     60.440
  28   24   33   C3   C3   C3    120.879
  28   24   37   C3   C3   C3    179.974
  33   24   37   C3   C3   C3     59.117
  20   25   31   C3   C3   C3    108.101
  20   25   35   C3   C3   C3    125.951
  20   25   65   C3   C3   HC    171.076
  31   25   35   C3   C3   C3    125.947
  31   25   65   C3   C3   HC     62.975
  35   25   65   C3   C3   HC     62.972
   1   26   20   O3   C3   C3    120.001
   1   26   27   O3   C3   C3    120.001
   1   26   66   O3   C3   HC     59.998
  20   26   27   C3   C3   C3    119.999
  20   26   66   C3   C3   HC     60.002
  27   26   66   C3   C3   HC    179.974
  23   27   26   C3   C3   C3    120.001
  23   27   67   C3   C3   HC    159.996
  23   27   68   C3   C3   HC     79.997
  26   27   67   C3   C3   HC     80.004
  26   27   68   C3   C3   HC    160.002
  67   27   68   HC   C3   HC     79.999
  24   28   32   C3   C3   C3    119.553
  24   28   36   C3   C3   C3    120.887
  24   28   69   C3   C3   HC    179.333
  32   28   36   C3   C3   C3    119.560
  32   28   69   C3   C3   HC     59.780
  36   28   69   C3   C3   HC     59.781
  21   29   31   C3   C3   C3    108.092
  21   29   70   C3   C3   HC     83.974
  21   29   71   C3   C3   HC    167.941
  31   29   70   C3   C3   HC    167.934
  31   29   71   C3   C3   HC     83.967
  70   29   71   HC   C3   HC     83.967
   2   30   22   O3   C3   C3    120.227
   2   30   32   O3   C3   C3    120.217
   2   30   72   O3   C3   HC     60.113
  22   30   32   C3   C3   C3    119.556
  22   30   72   C3   C3   HC     60.114
  32   30   72   C3   C3   HC    179.670
  25   31   29   C3   C3   C3    108.101
  25   31   73   C3   C3   HC    167.938
  25   31   74   C3   C3   HC     83.971
  29   31   73   C3   C3   HC     83.961
  29   31   74   C3   C3   HC    167.927
  73   31   74   HC   C3   HC     83.966
  28   32   30   C3   C3   C3    119.559
  28   32   75   C3   C3   HC     80.148
  28   32   76   C3   C3   HC    160.295
  30   32   75   C3   C3   HC    160.293
  30   32   76   C3   C3   HC     80.146
  75   32   76   HC   C3   HC     80.147
  24   33   38   C3   C3   C3    119.562
  24   33   77   C3   C3   HC     80.150
  24   33   78   C3   C3   HC    160.288
  38   33   77   C3   C3   HC    160.289
  38   33   78   C3   C3   HC     80.150
  77   33   78   HC   C3   HC     80.139
  20   34   79   C3   C3   HC     90.000
  20   34   80   C3   C3   HC    179.974
  20   34   81   C3   C3   HC     90.000
  79   34   80   HC   C3   HC     90.000
  79   34   81   HC   C3   HC    179.974
  80   34   81   HC   C3   HC     90.000
  25   35   40   C3   C3   C3    120.007
  25   35   41   C3   C3   C3    119.999
  25   35   82   C3   C3   HC    179.974
  40   35   41   C3   C3   C3    119.994
  40   35   82   C3   C3   HC     59.996
  41   35   82   C3   C3   HC     59.998
  28   36   39   C3   C3   C3    119.558
  28   36   83   C3   C3   HC    160.292
  28   36   84   C3   C3   HC     80.145
  39   36   83   C3   C3   HC     80.150
  39   36   84   C3   C3   HC    160.298
  83   36   84   HC   C3   HC     80.147
  24   37   85   C3   C3   HC     89.998
  24   37   86   C3   C3   HC    179.974
  24   37   87   C3   C3   HC     90.002
  85   37   86   HC   C3   HC     90.000
  85   37   87   HC   C3   HC    179.974
  86   37   87   HC   C3   HC     90.000
  33   38   39   C3   C3   C3    119.552
  33   38   88   C3   C3   HC     80.148
  33   38   89   C3   C3   HC    160.300
  39   38   88   C3   C3   HC    160.300
  39   38   89   C3   C3   HC     80.148
  88   38   89   HC   C3   HC     80.152
   3   39   36   O3   C3   C3    120.224
   3   39   38   O3   C3   C3    120.213
   3   39   90   O3   C3   HC     60.114
  36   39   38   C3   C3   C3    119.563
  36   39   90   C3   C3   HC     60.110
  38   39   90   C3   C3   HC    179.673
  35   40   42   C3   C3   C3    120.007
  35   40   92   C3   C3   HC     79.998
  35   40   93   C3   C3   HC    159.991
  42   40   92   C3   C3   HC    159.995
  42   40   93   C3   C3   HC     80.002
  92   40   93   HC   C3   HC     79.992
  35   41   95   C3   C3   HC     90.008
  35   41   96   C3   C3   HC    179.974
  35   41   97   C3   C3   HC     90.005
  95   41   96   HC   C3   HC     89.994
  95   41   97   HC   C3   HC    179.974
  96   41   97   HC   C3   HC     89.993
  40   42   43   C3   C3   C2    120.001
  40   42   98   C3   C3   HC    159.994
  40   42   99   C3   C3   HC     79.993
  43   42   98   C2   C3   HC     80.004
  43   42   99   C2   C3   HC    160.005
  98   42   99   HC   C3   HC     80.001
   4   43   17   O2   C2  Nam    120.005
   4   43   42   O2   C2   C3    119.999
  17   43   42  Nam   C2   C3    119.996
  17   44   46  Nam   C3   C3    120.001
  17   44  101  Nam   C3   HC     80.004
  17   44  102  Nam   C3   HC    160.007
  46   44  101   C3   C3   HC    159.994
  46   44  102   C3   C3   HC     79.992
 101   44  102   HC   C3   HC     80.002
  17   45   47  Nam   C3   C3    119.999
  17   45  103  Nam   C3   HC    159.998
  17   45  104  Nam   C3   HC     80.002
  47   45  103   C3   C3   HC     80.003
  47   45  104   C3   C3   HC    159.999
 103   45  104   HC   C3   HC     79.996
  44   46   48   C3   C3   C3    120.007
  44   46  105   C3   C3   HC    159.995
  44   46  106   C3   C3   HC     80.002
  48   46  105   C3   C3   HC     79.998
  48   46  106   C3   C3   HC    159.991
 105   46  106   HC   C3   HC     79.992
  45   47   49   C3   C3   C3    119.995
  45   47  107   C3   C3   HC     80.003
  45   47  108   C3   C3   HC    160.006
  49   47  107   C3   C3   HC    160.002
  49   47  108   C3   C3   HC     79.999
 107   47  108   HC   C3   HC     80.003
  18   48   46  Nam   C3   C3    120.007
  18   48  111  Nam   C3   HC    159.995
  18   48  112  Nam   C3   HC     80.002
  46   48  111   C3   C3   HC     79.998
  46   48  112   C3   C3   HC    159.991
 111   48  112   HC   C3   HC     79.992
  19   49   47  Nam   C3   C3    119.995
  19   49  109  Nam   C3   HC     80.003
  19   49  110  Nam   C3   HC    160.006
  47   49  109   C3   C3   HC    160.002
  47   49  110   C3   C3   HC     79.999
 109   49  110   HC   C3   HC     80.003
   5   50   18   O2   C2  Nam    119.999
   5   50   52   O2   C2   C3    120.005
  18   50   52  Nam   C2   C3    119.996
   6   51   19   O2   C2  Nam    119.994
   6   51   53   O2   C2   C3    120.007
  19   51   53  Nam   C2   C3    119.999
   7   52   50   O3   C3   C2    120.005
   7   52   54   O3   C3   C3    120.000
   7   52  115   O3   C3   HC     60.004
  50   52   54   C2   C3   C3    119.995
  50   52  115   C2   C3   HC    179.974
  54   52  115   C3   C3   HC     59.997
   8   53   51   O3   C3   C2    120.001
   8   53   55   O3   C3   C3    119.999
   8   53  116   O3   C3   HC     59.999
  51   53   55   C2   C3   C3    119.999
  51   53  116   C2   C3   HC     60.003
  55   53  116   C3   C3   HC    179.974
   9   54   52   O3   C3   C3    120.000
   9   54   56   O3   C3   C3    120.007
   9   54  117   O3   C3   HC     60.007
  52   54   56   C3   C3   C3    119.993
  52   54  117   C3   C3   HC    179.974
  56   54  117   C3   C3   HC     59.999
  10   55   53   O3   C3   C3    119.999
  10   55   57   O3   C3   C3    119.996
  10   55  118   O3   C3   HC     59.992
  53   55   57   C3   C3   C3    120.005
  53   55  118   C3   C3   HC    179.974
  57   55  118   C3   C3   HC     60.004
  11   56   54   O3   C3   C3    120.007
  11   56   58   O3   C3   C3    119.999
  11   56  121   O3   C3   HC     59.998
  54   56   58   C3   C3   C3    119.994
  54   56  121   C3   C3   HC    179.974
  58   56  121   C3   C3   HC     60.001
  12   57   55   O3   C3   C3    119.996
  12   57   59   O3   C3   C3    119.999
  12   57  122   O3   C3   HC     60.001
  55   57   59   C3   C3   C3    120.005
  55   57  122   C3   C3   HC    179.974
  59   57  122   C3   C3   HC     59.998
  13   58   56   O3   C3   C3    120.003
  13   58   60   O3   C3   C3    119.995
  13   58  125   O3   C3   HC     60.002
  56   58   60   C3   C3   C3    120.001
  56   58  125   C3   C3   HC     60.001
  60   58  125   C3   C3   HC    179.974
  14   59   57   O3   C3   C3    119.999
  14   59   61   O3   C3   C3    119.996
  14   59  126   O3   C3   HC     60.001
  57   59   61   C3   C3   C3    120.005
  57   59  126   C3   C3   HC     59.998
  61   59  126   C3   C3   HC    179.974
  15   60   58   O3   C3   C3    120.001
  15   60  131   O3   C3   HC     80.004
  15   60  132   O3   C3   HC    160.005
  58   60  131   C3   C3   HC    159.995
  58   60  132   C3   C3   HC     79.993
 131   60  132   HC   C3   HC     80.001
  16   61   59   O3   C3   C3    120.005
  16   61  129   O3   C3   HC    159.993
  16   61  130   O3   C3   HC     80.002
  59   61  129   C3   C3   HC     80.002
  59   61  130   C3   C3   HC    159.993
 129   61  130   HC   C3   HC     79.991


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


CHIRAL ATOMS
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974
 126   59   61  130    179.974