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Ginsenoside Rh3
Ginsenoside Rh3 ID: API-28865
CAS:105558-26-7
Supplier:APIchem

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SMILES:O[C@@H]1[C@H]2[C@@]([C@]3(C([C@@]4(C(CC3)C(C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CC4)(C)C)C)C1)C)(CC[C@@H]2/C(=C\CC=C(C)C)/C)C	ChemMol.com
FORMULA: C36H60O7
MASS: 604.8574
EXACT MASS: 604.4339043
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    6.4201     0.0000 
   O   3    7.7356     1.7321     0.0000 
   O   4    5.1902     2.0000     2.6458     0.0000 
   O   5    6.4358     3.4642     3.0000     2.0000     0.0000 
   O   6    8.3774     4.0001     2.6458     3.4641     2.0000     0.0000 
   O   7    9.7262     3.6056     2.0000     4.5826     4.3589     3.0000 
   C   8    2.9999     4.7858     6.4471     4.5414     6.4145     7.9967 
   C   9    2.6456     5.7703     7.4130     5.3856     7.1772     8.8495 
   C  10    2.6456     4.1971     5.7681     3.6537     5.4655     7.1175 
   C  11    3.4921     3.1554     4.7398     2.7807     4.7042     6.2250 
   C  12    1.7320     6.1969     7.7487     5.4871     7.1136     8.9102 
   C  13    4.4240     2.7889     4.5026     3.1177     5.1173     6.3805 
   C  14    4.0414     4.5717     6.2954     4.7736     6.7425     8.1394 
   C  15    1.7320     4.7665     6.1936     3.8018     5.3817     7.1928 
   C  16    1.0000     5.7544     7.1936     4.7785     6.2713     8.1304 
   C  17    4.6535     3.6450     5.3772     4.1591     6.1588     7.3859 
   C  18    3.3393     6.5758     8.2570     6.3366     8.1576     9.7993 
   C  19    5.3421     1.8081     3.5400     2.7248     4.6652     5.6523 
   C  20    2.1709     7.1733     8.7391     6.4754     8.0674     9.8874 
   C  21    3.6431     2.7889     4.1314     1.8197     3.6564     5.2814 
   C  22    3.1209     7.3784     9.0216     6.9372     8.6553    10.3933 
   C  23    3.8205     5.2293     6.9458     5.3029     7.2392     8.7130 
   C  24    3.6456     5.8421     7.5488     5.7958     7.6925     9.2356 
   C  25    5.4623     1.0000     2.6458     1.7320     3.6055     4.5826 
   C  26    2.6747     3.7537     5.1588     2.8046     4.5029     6.2378 
   C  27    4.7067     1.8081     3.0470     0.9641     2.9621     4.3542 
   C  28    6.3420     1.5980     3.1792     3.1920     4.9558     5.5943 
   C  29    5.8946     2.4836     4.1456     3.7111     5.6207     6.4659 
   C  30    2.1370     7.9232     9.4210     7.0316     8.4709    10.3634 
   C  31    1.5385     7.8299     9.2175     6.7088     7.9695     9.9155 
   C  32    3.1016     8.8638    10.3891     8.0246     9.4696    11.3633 
   C  33    6.7422     1.0000     1.0001     1.7320     2.6457     3.0000 
   C  34    3.8497     9.1125    10.7111     8.4754    10.0458    11.8832 
   C  35    6.1903     1.7321     1.7320     1.0001     1.7321     2.6457 
   C  36    6.7498     2.6458     2.0000     1.7321     1.0000     1.7320 
   C  37    8.1902     2.6458     1.0000     3.0001     2.6458     1.7321 
   C  38    7.7421     3.0000     1.7320     2.6458     1.7321     1.0000 
   C  39    4.7827    10.0910    11.7006     9.4754    11.0379    12.8815 
   C  40    9.1902     3.4641     1.7320     4.0000     3.4641     2.0000 
   C  41    5.5744    10.4545    12.1119    10.0109    11.6653    13.4542 
   C  42    6.4905    11.4494    13.1101    11.0077    12.6489    14.4479 
   C  43    5.5875     9.8984    11.5894     9.6284    11.3757    13.0911 
   H  44    2.0790     5.0470     6.6084     4.4153     6.1405     7.8672 
   H  45    1.1587     6.7272     8.1974     5.7948     7.2584     9.1358 
   H  46    5.2121     2.7679     4.4922     3.6060     5.5850     6.6362 
   H  47    4.6277     4.7616     6.4936     5.1844     7.1745     8.4774 
   H  48    3.9755     5.1901     6.9121     5.3247     7.2733     8.7196 
   H  49    1.4155     5.0108     6.3251     3.8099     5.2074     7.0931 
   H  50    2.1828     4.2398     5.6129     3.1860     4.7713     6.5731 
   H  51    0.8743     6.3688     7.8136     5.3884     6.8382     8.7187 
   H  52    5.2049     3.2849     5.0048     4.0880     6.0770     7.1573 
   H  53    5.0650     4.0755     5.7994     4.7442     6.7437     7.9090 
   H  54    3.7155     6.2016     7.9079     6.1354     8.0194     9.5809 
   H  55    3.9009     7.0254     8.7269     6.8918     8.7390    10.3490 
   H  56    1.5689     7.0174     8.5228     6.1618     7.6631     9.5265 
   H  57    3.0282     3.4089     4.7244     2.2981     3.9763     5.7166 
   H  58    3.6619     2.9620     4.0874     1.5443     3.1819     4.9247 
   H  59    3.7405     7.6869     9.3615     7.3773     9.1456    10.8408 
   H  60    3.2670     7.9576     9.5845     7.4391     9.1043    10.8820 
   H  61    4.1679     4.7109     6.4383     4.9567     6.9294     8.3118 
   H  62    4.3669     5.5770     7.3068     5.8113     7.7712     9.1838 
   H  63    3.5482     5.7678     7.4704     5.6957     7.5873     9.1388 
   H  64    3.7049     5.2307     6.9425     5.2611     7.1885     8.6806 
   H  65    4.2656     5.9709     7.6972     6.1188     8.0578     9.5200 
   H  66    3.6910     6.4551     8.1570     6.3460     8.2123     9.7983 
   H  67    5.6962     0.9356     2.0805     1.0815     2.7875     3.7518 
   H  68    2.3163     4.2274     5.7045     3.4141     5.1204     6.8554 
   H  69    2.2435     4.2021     5.4944     2.9921     4.4868     6.3257 
   H  70    3.1164     3.3284     4.6317     2.2009     3.8861     5.6208 
   H  71    4.5336     2.2686     3.2318     0.6847     2.5353     4.1310 
   H  72    5.2541     1.5038     2.4816     0.5797     2.5041     3.7590 
   H  73    6.3797     0.9819     2.5786     2.7158     4.3893     4.9745 
   H  74    6.9620     1.7646     3.0996     3.5925     5.2246     5.6474 
   H  75    6.3965     2.1551     3.7162     3.6749     5.4864     6.1511 
   H  76    6.2930     2.9949     4.5908     4.3258     6.2200     6.9945 
   H  77    5.4173     2.9087     4.6184     3.8481     5.8181     6.8225 
   H  78    6.3648     2.2162     3.7859     3.7108     5.5336     6.2139 
   H  79    0.6200     6.2899     7.5047     4.9043     6.0045     7.9729 
   H  80    2.1232     8.4496     9.8308     7.3098     8.5264    10.4847 
   H  81    1.4168     7.8358     9.1441     6.5773     7.7075     9.6793 
   H  82    0.9973     7.2101     8.6052     6.1115     7.4225     9.3528 
   H  83    3.3397     9.3387    10.8276     8.4070     9.7691    11.6930 
   H  84    6.1275     0.8743     1.6200     1.2347     2.6008     3.3533 
   H  85    3.4277     8.4981    10.1039     7.8950     9.5004    11.3168 
   H  86    4.2247     9.1061    10.7434     8.6031    10.2497    12.0419 
   H  87    5.9074     2.2901     2.2900     0.8743     1.2347     2.6008 
   H  88    6.1359     2.6009     2.3716     1.2348     0.8743     2.2900 
   H  89    8.5154     2.6009     0.8743     3.3533     3.2380     2.2901 
   H  90    8.3582     3.3533     1.8396     3.2379     2.2901     0.8743 
   H  91    4.9404    10.5106    12.0916     9.8013    11.2959    13.1733 
   H  92    4.9129     2.6200     3.1408     0.6200     1.7733     3.5192 
   H  93    9.1050     3.7221     2.0295     3.9399     3.1022     1.4332 
   H  94    9.7757     4.0761     2.3451     4.5875     3.8917     2.1943 
   H  95    6.8946     4.0131     3.3532     2.6201     0.6200     1.7731 
   H  96    8.9845     4.3433     2.8291     4.0130     2.6200     0.6200 
   H  97    4.9711     9.3748    11.0535     9.0473    10.7763    12.5075 
   H  98    5.6846     9.5897    11.2977     9.4366    11.2370    12.8997 
   H  99    6.2045    10.4324    12.1333    10.2140    11.9771    13.6779 
   H 100    6.7453    11.4059    13.0894    11.0725    12.7707    14.5284 
   H 101    7.0700    12.0666    13.7292    11.6260    13.2601    15.0644 
   H 102    6.2869    11.5261    13.1601    10.9776    12.5567    14.3937 
   H 103   10.3441     4.2101     2.6200     5.1928     4.8708     3.3534 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    8.3885     0.0000 
   C   9    9.3676     1.0000     0.0000 
   C  10    7.7497     1.0000     1.7320     0.0000 
   C  11    6.7147     1.7760     2.6902     1.0417     0.0000 
   C  12    9.7381     1.7320     0.9999     1.9999     3.0415     0.0000 
   C  13    6.3873     2.0693     3.0693     1.8002     1.0416     3.6765 
   C  14    8.1499     1.0416     1.7603     1.7760     2.0693     2.6797 
   C  15    8.1936     1.7320     1.9999     0.9999     1.7603     1.7320 
   C  16    9.1936     1.9999     1.7320     1.7320     2.6798     1.0000 
   C  17    7.1788     1.8002     2.7088     2.0694     1.8001     3.5321 
   C  18   10.1813     1.8228     0.9942     2.6956     3.5940     1.6117 
   C  19    5.3587     3.1543     4.1543     2.7996     1.8500     4.7386 
   C  20   10.7262     2.5576     1.6117     2.9792     4.0197     0.9942 
   C  21    6.1313     2.7597     3.5694     1.8378     1.0851     3.6913 
   C  22   10.9770     2.5962     1.6095     3.3000     4.2917     1.6095 
   C  23    8.8179     1.0001     1.2856     1.9696     2.5351     2.2770 
   C  24    9.4396     1.2857     1.0001     2.2771     3.0154     1.9696 
   C  25    4.5826     3.8083     4.7851     3.1971     2.1555     5.1969 
   C  26    7.1587     2.0281     2.6801     1.0282     1.0000     2.6826 
   C  27    5.0466     3.6508     4.5412     2.8242     1.8750     4.7501 
   C  28    4.7795     4.0528     5.0460     3.7844     2.8499     5.6915 
   C  29    5.7794     3.3127     4.2749     3.2555     2.4945     5.0198 
   C  30   11.4193     3.4782     2.5818     3.7443     4.7781     1.7764 
   C  31   11.2146     3.7900     3.0568     3.7927     4.7681     2.0846 
   C  32   12.3848     4.2882     3.3250     4.6689     5.7096     2.6708 
   C  33    3.0001     5.4922     6.4460     4.7829     3.7623     6.7563 
   C  34   12.6893     4.3730     3.3731     4.9431     5.9747     2.9906 
   C  35    3.6055     5.3875     6.2774     4.5545     3.6115     6.4423 
   C  36    3.4641     6.2679     7.1175     5.3856     4.4991     7.1938 
   C  37    1.7320     7.1991     8.1367     6.4445     5.4465     8.3839 
   C  38    2.6457     7.1194     8.0037     6.2768     5.3434     8.1329 
   C  39   13.6749     5.3305     4.3321     5.9341     6.9617     3.9901 
   C  40    1.0000     8.1379     9.0888     7.4111     6.4012     9.3639 
   C  41   14.0583     5.6699     4.6999     6.3913     7.3866     4.5531 
   C  42   15.0539     6.6662     5.6990     7.3911     8.3864     5.5415 
   C  43   13.5014     5.1567     4.2452     5.9754     6.9202     4.3086 
   H  44    8.5941     0.9341     1.0828     0.8500     1.8916     1.1499 
   H  45   10.1969     2.5326     1.8474     2.5932     3.6050     0.8501 
   H  46    6.2471     2.6030     3.5719     2.5670     1.8916     4.3075 
   H  47    8.2800     1.6387     2.2140     2.3901     2.5785     3.1851 
   H  48    8.7698     1.1174     1.4463     2.0634     2.5711     2.4379 
   H  49    8.3188     2.3451     2.5068     1.5967     2.2030     2.0295 
   H  50    7.6121     2.0295     2.5068     1.0812     1.4309     2.3451 
   H  51    9.8136     2.3715     1.8396     2.2900     3.2738     0.8743 
   H  52    6.7338     2.4124     3.3288     2.5786     2.0980     4.1438 
   H  53    7.5304     2.0981     2.8770     2.5712     2.4124     3.7896 
   H  54    9.7989     1.6048     1.1150     2.5790     3.3571     1.9965 
   H  55   10.6250     2.3524     1.6056     3.2737     4.1270     2.1922 
   H  56   10.5200     2.6317     1.8167     2.8395     3.8722     0.9014 
   H  57    6.7222     2.5126     3.2037     1.5216     1.1538     3.1963 
   H  58    6.0692     3.2627     3.9954     2.2912     1.6818     3.9855 
   H  59   11.2925     2.9160     1.9925     3.7237     4.6704     2.1908 
   H  60   11.5495     3.1878     2.1908     3.8334     4.8459     1.9925 
   H  61    8.2778     1.1766     1.8051     1.9596     2.2625     2.7544 
   H  62    9.1290     1.6200     1.7498     2.5824     3.0757     2.7465 
   H  63    9.3679     1.1767     0.9034     2.1652     2.9162     1.8844 
   H  64    8.8248     0.9034     1.1766     1.8845     2.4867     2.1651 
   H  65    9.5367     1.7500     1.6201     2.7467     3.3537     2.5824 
   H  66   10.0550     1.8051     1.1766     2.7545     3.5735     1.9594 
   H  67    4.0785     4.4372     5.3780     3.7022     2.6891     5.6723 
   H  68    7.7019     1.5150     2.0726     0.5640     1.1766     2.0783 
   H  69    7.4881     2.3900     2.8554     1.4299     1.6200     2.6319 
   H  70    6.6291     2.5884     3.2922     1.6017     1.1767     3.2928 
   H  71    5.2040     3.9040     4.7227     2.9915     2.1702     4.8036 
   H  72    4.4741     4.2630     5.1602     3.4442     2.4873     5.3639 
   H  73    4.2578     4.3304     5.3304     3.9253     2.9226     5.8931 
   H  74    4.4950     4.6309     5.6172     4.3984     3.4699     6.2897 
   H  75    5.2484     3.9077     4.8796     3.7787     2.9345     5.5999 
   H  76    6.1082     3.5516     4.4621     3.6489     2.9939     5.2826 
   H  77    6.3266     2.7289     3.6753     2.7725     2.1454     4.4505 
   H  78    5.3222     3.8558     4.8249     3.7421     2.9105     5.5522 
   H  79    9.4780     3.3532     3.1406     2.8291     3.5407     2.2900 
   H  80   11.8268     4.3577     3.5716     4.4040     5.3856     2.6324 
   H  81   11.1310     4.0955     3.4654     3.9516     4.8662     2.4673 
   H  82   10.6032     3.2414     2.5885     3.1847     4.1513     1.5906 
   H  83   12.8268     4.8434     3.8990     5.1588     6.1937     3.1783 
   H  84    3.6200     4.9093     5.8521     4.1757     3.1634     6.1424 
   H  85   12.0790     3.7532     2.7532     4.3375     5.3652     2.4086 
   H  86   12.7032     4.3243     3.3360     4.9987     6.0072     3.1377 
   H  87    4.0601     5.4151     6.2513     4.5195     3.6549     6.3196 
   H  88    4.0130     5.7639     6.5845     4.8544     4.0117     6.6205 
   H  89    1.2346     7.3169     8.2790     6.6226     5.5999     8.5945 
   H  90    2.2146     7.6654     8.5657     6.8444     5.8914     8.7219 
   H  91   14.0764     5.7865     4.7869     6.3268     7.3640     4.3462 
   H  92    5.0105     4.6414     5.4127     3.6948     2.9440     5.4002 
   H  93    1.5967     8.2564     9.1830     7.4779     6.4946     9.3935 
   H  94    1.0812     8.7578     9.7079     8.0278     7.0197     9.9765 
   H  95    4.4726     7.0095     7.7534     6.0513     5.3120     7.6539 
   H  96    2.7430     8.5229     9.3939     7.6634     6.7474     9.4836 
   H  97   12.9803     4.6086     3.6738     5.3980     6.3597     3.6952 
   H  98   13.1822     4.9143     4.0624     5.7896     6.6899     4.2690 
   H  99   14.0304     5.7195     4.8284     6.5604     7.4900     4.9236 
   H 100   15.0106     6.6461     5.7093     7.4289     8.3970     5.6603 
   H 101   15.6715     7.2845     6.3186     8.0110     9.0063     6.1562 
   H 102   15.1227     6.7436     5.7559     7.4052     8.4216     5.4907 
   H 103    0.6200     8.9955     9.9772     8.3658     7.3297    10.3556 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.8001     0.0000 
   C  15    2.7087     2.6901     0.0000 
   C  16    3.5321     3.0414     1.0000     0.0000 
   C  17    1.0416     1.0417     3.0692     3.6766     0.0000 
   C  18    3.8053     2.1808     2.9792     2.5576     3.2207     0.0000 
   C  19    1.0850     2.7917     3.6102     4.5102     1.8377     4.8738 
   C  20    4.5907     3.3656     2.6956     1.8228     4.3178     1.6095 
   C  21    1.8500     3.1542     2.0647     3.0638     2.7996     4.5297 
   C  22    4.6549     3.1355     3.3000     2.5962     4.1648     0.9941 
   C  23    2.4432     0.6845     2.7224     2.8397     1.7234     1.5139 
   C  24    3.0535     1.3354     2.8398     2.7224     2.3759     0.8764 
   C  25    1.8751     3.6752     3.7858     4.7671     2.8242     5.6126 
   C  26    2.0417     2.7062     1.0349     2.0348     2.7114     3.6684 
   C  27    2.1555     3.8199     3.1492     4.1486     3.1970     5.4655 
   C  28    2.0151     3.5323     4.6101     5.5036     2.5005     5.6893 
   C  29    1.4784     2.6460     4.1859     4.9822     1.6054     4.8260 
   C  30    5.4527     4.3421     3.2418     2.2533     5.2660     2.5788 
   C  31    5.5836     4.7635     3.0636     2.0895     5.5816     3.3236 
   C  32    6.3203     5.0539     4.2280     3.2470     6.0328     3.0518 
   C  33    3.6071     5.4072     5.1936     6.1935     4.5390     7.3101 
   C  34    6.4423     4.9704     4.6905     3.7756     5.9976     2.8139 
   C  35    3.7393     5.4938     4.7793     5.7638     4.7549     7.2037 
   C  36    4.7134     6.4435     5.4860     6.4396     5.7381     8.0679 
   C  37    5.3392     7.1393     6.7540     7.7457     6.2634     9.0208 
   C  38    5.4293     7.2050     6.4407     7.4064     6.4215     8.9348 
   C  39    7.3971     5.8646     5.6892     4.7666     6.9018     3.6853 
   C  40    6.2265     8.0226     7.7461     8.7397     7.1092     9.9556 
   C  41    7.6989     6.0461     6.2842     5.4251     7.0860     3.8968 
   C  42    8.6884     7.0175     7.2703     6.3951     8.0546     4.8836 
   C  43    7.1145     5.3879     6.0206     5.2609     6.4128     3.3356 
   H  44    2.5750     1.9719     0.9340     1.0827     2.6052     2.0748 
   H  45    4.3617     3.5147     2.0085     1.0164     4.3245     2.3142 
   H  46    0.8500     1.9908     3.5194     4.2859     0.9572     4.1586 
   H  47    2.0980     0.6200     3.3100     3.6294     1.1173     2.4068 
   H  48    2.4123     0.6199     2.8477     2.9920     1.6387     1.6329 
   H  49    3.2097     3.3102     0.6201     1.0813     3.6572     3.4521 
   H  50    2.4601     2.8551     0.6200     1.5967     3.0207     3.5000 
   H  51    4.0824     3.3916     1.6200     0.6201     4.1306     2.4695 
   H  52    1.1173     1.6388     3.5692     4.2427     0.6200     3.8181 
   H  53    1.6387     1.1174     3.5630     4.0706     0.6200     3.2039 
   H  54    3.4130     1.6840     3.0650     2.8393     2.7209     0.6200 
   H  55    4.2379     2.5111     3.5979     3.1606     3.5442     0.6199 
   H  56    4.5627     3.5554     2.3611     1.3963     4.4311     2.0950 
   H  57    2.1343     3.0992     1.5058     2.4936     2.9529     4.1897 
   H  58    2.4640     3.7409     2.2740     3.2386     3.4193     4.9772 
   H  59    4.9199     3.2734     3.8334     3.1878     4.3151     1.1148 
   H  60    5.2539     3.7553     3.7237     2.9160     4.7835     1.6056 
   H  61    1.9553     0.1954     2.8581     3.1690     1.1252     2.1338 
   H  62    2.8319     1.0444     3.3392     3.4041     1.9511     1.6301 
   H  63    2.9806     1.2915     2.7245     2.6181     2.3331     0.8939 
   H  64    2.4420     0.7234     2.6181     2.7245     1.7648     1.4580 
   H  65    3.2044     1.4043     3.4042     3.3393     2.3664     1.2791 
   H  66    3.6677     1.9523     3.1690     2.8580     2.9906     0.4234 
   H  67    2.6426     4.4283     4.1182     5.1180     3.6351     6.2592 
   H  68    2.1337     2.3401     0.5843     1.5303     2.5714     3.0650 
   H  69    2.6617     3.1959     0.9046     1.8054     3.3022     3.8467 
   H  70    2.1338     3.1528     1.6029     2.5900     2.9765     4.2766 
   H  71    2.6563     4.2107     3.1177     4.0967     3.6891     5.6831 
   H  72    2.6638     4.3869     3.7426     4.7393     3.6971     6.0806 
   H  73    2.2613     3.9323     4.6609     5.6022     2.9320     6.0436 
   H  74    2.6178     4.0479     5.2300     6.1206     3.0066     6.2221 
   H  75    1.9788     3.2657     4.6719     5.5106     2.2246     5.4452 
   H  76    1.9533     2.7414     4.6162     5.3484     1.7567     4.8999 
   H  77    1.1066     2.0267     3.7398     4.4774     0.9874     4.2071 
   H  78    1.9434     3.2031     4.6422     5.4738     2.1627     5.3833 
   H  79    4.5333     4.3864     1.8397     1.4158     4.8914     3.9013 
   H  80    6.1900     5.3070     3.6835     2.7084     6.1558     3.7199 
   H  81    5.7511     5.1064     3.1135     2.2203     5.8551     3.8440 
   H  82    4.9804     4.2411     2.4438     1.4716     5.0184     3.0039 
   H  83    6.8513     5.6421     4.6381     3.6408     6.6071     3.6682 
   H  84    3.0844     4.8784     4.5736     5.5736     4.0564     6.7307 
   H  85    5.8225     4.3592     4.1273     3.2448     5.3831     2.2175 
   H  86    6.3796     4.8038     4.8686     4.0165     5.8439     2.6232 
   H  87    3.9483     5.6365     4.6134     5.5713     4.9856     7.2070 
   H  88    4.3264     6.0066     4.9031     5.8458     5.3645     7.5469 
   H  89    5.3768     7.1686     7.0130     8.0117     6.2443     9.1289 
   H  90    5.9148     7.7046     7.0389     8.0099     6.8842     9.4854 
   H  91    7.8556     6.3785     6.0002     5.0431     7.4091     4.2099 
   H  92    3.4564     4.9996     3.6764     4.6121     4.4906     6.3890 
   H  93    6.4176     8.2174     7.7350     8.7172     7.3446    10.0791 
   H  94    6.8441     8.6393     8.3506     9.3422     7.7205    10.5756 
   H  95    5.7373     7.3563     5.9233     6.7873     6.7788     8.7380 
   H  96    6.8438     8.6208     7.7731     8.7193     7.8312    10.3339 
   H  97    6.6003     4.9089     5.4126     4.6427     5.9444     2.7991 
   H  98    6.8008     5.0365     5.9364     5.2529     6.0409     3.1005 
   H  99    7.6443     5.8932     6.6307     5.8795     6.9050     3.8969 
   H 100    8.6258     6.9072     7.3913     6.5618     7.9328     4.8327 
   H 101    9.3030     7.6234     7.8835     7.0008     8.6586     5.4978 
   H 102    8.7944     7.1798     7.2010     6.2856     8.2214     5.0113 
   H 103    6.9846     8.7378     8.8136     9.8136     7.7571    10.7834 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    5.6672     0.0000 
   C  21    2.1555     4.6844     0.0000 
   C  22    5.7374     0.9940     5.1180     0.0000 
   C  23    3.4637     2.8243     3.5979     2.4885     0.0000 
   C  24    4.0950     2.3243     4.0362     1.8664     0.6529     0.0000 
   C  25    1.0850     6.1740     1.8750     6.3944     4.3116     4.9061 
   C  26    2.7604     3.6714     1.0313     4.1642     2.9847     3.3034 
   C  27    1.8750     5.7443     1.0849     6.1240     4.3665     4.8815 
   C  28    1.0000     6.5974     3.0666     6.5961     4.2168     4.8663 
   C  29    1.0000     5.8682     3.0585     5.7670     3.3242     3.9770 
   C  30    6.5116     1.0000     5.3028     1.7763     3.8197     3.3233 
   C  31    6.5889     1.7320     5.0937     2.6707     4.3423     3.9469 
   C  32    7.3941     1.7320     6.2825     2.0844     4.4653     3.8925 
   C  33    2.7275     7.7481     3.1315     8.0521     6.0405     6.6274 
   C  34    7.5274     2.0000     6.6817     1.8351     4.3214     3.6902 
   C  35    3.0849     7.4344     2.7520     7.8536     6.0726     6.6071 
   C  36    4.0850     8.1760     3.5500     8.6645     7.0014     7.5130 
   C  37    4.4386     9.3781     4.7008     9.7357     7.7709     8.3532 
   C  38    4.6668     9.1206     4.4569     9.5721     7.7958     8.3370 
   C  39    8.4813     3.0000     7.6808     2.7490     5.1984     4.5525 
   C  40    5.2719    10.3579     5.6885    10.6928     8.6684     9.2647 
   C  41    8.7704     3.6055     8.1956     3.0951     5.3627     4.7107 
   C  42    9.7567     4.5825     9.1934     4.0950     6.3330     5.6832 
   C  43    8.1631     3.4641     7.8098     2.7227     4.7059     4.0681 
   H  44    3.6156     2.1321     2.5992     2.5269     1.8593     1.9113 
   H  45    5.3907     1.0126     4.0724     1.9705     3.1270     2.7963 
   H  46    0.9856     5.1599     2.6231     5.0839     2.6751     3.3260 
   H  47    2.9537     3.7726     3.6571     3.3982     0.9484     1.5318 
   H  48    3.4116     2.9777     3.6437     2.6163     0.1610     0.7593 
   H  49    4.0302     2.9037     2.2286     3.6388     3.3282     3.4043 
   H  50    3.2385     3.3147     1.4836     3.8923     3.0250     3.2503 
   H  51    5.0870     1.3717     3.6836     2.2741     3.0778     2.8303 
   H  52    1.5080     4.9377     2.9664     4.7729     2.3089     2.9607 
   H  53    2.2821     4.4786     3.4196     4.1871     1.7004     2.3284 
   H  54    4.4529     2.1908     4.3641     1.6057     0.9995     0.3595 
   H  55    5.2819     1.9925     5.0969     1.1150     1.8271     1.1870 
   H  56    5.6148     0.6200     4.4128     1.6094     3.0978     2.6889 
   H  57    2.6562     4.1805     0.6200     4.6906     3.4398     3.7962 
   H  58    2.6637     4.9645     0.6200     5.4888     4.1490     4.5482 
   H  59    5.9884     1.6056     5.5597     0.6200     2.5937     1.9411 
   H  60    6.3381     1.1148     5.6253     0.6199     3.1076     2.4812 
   H  61    2.9198     3.3942     3.3475     3.1064     0.6199     1.2680 
   H  62    3.7777     3.1418     4.1536     2.6186     0.6199     0.8185 
   H  63    4.0298     2.2806     3.9310     1.8719     0.6200     0.1156 
   H  64    3.4764     2.7281     3.5413     2.4212     0.1156     0.6200 
   H  65    4.1797     2.8540     4.4154     2.2453     0.8186     0.6200 
   H  66    4.7139     2.0324     4.5616     1.3687     1.2679     0.6199 
   H  67    1.9349     6.6643     2.0631     6.9807     5.0374     5.6040 
   H  68    3.0263     3.0711     1.6133     3.5442     2.5072     2.7554 
   H  69    3.3506     3.5809     1.4133     4.2043     3.3839     3.6118 
   H  70    2.6171     4.2774     0.5415     4.7842     3.5070     3.8732 
   H  71    2.4872     5.7912     1.1538     6.2631     4.7052     5.1721 
   H  72    2.1701     6.3580     1.6817     6.7441     4.9541     5.4829 
   H  73    1.1766     6.8331     2.9118     6.9137     4.6122     5.2516 
   H  74    1.6200     7.1836     3.6549     7.1471     4.7300     5.3825 
   H  75    1.1766     6.4653     3.3320     6.3833     3.9443     4.5971 
   H  76    1.6201     6.0728     3.6439     5.8715     3.3865     4.0289 
   H  77    1.1766     5.2764     2.8940     5.1517     2.7043     3.3571 
   H  78    1.1766     6.4131     3.3314     6.3236     3.8807     4.5334 
   H  79    5.3715     2.7900     3.5027     3.7332     4.2433     4.1358 
   H  80    7.2023     2.1115     5.7100     2.9528     4.8499     4.4105 
   H  81    6.7116     2.2901     5.0599     3.2563     4.7438     4.4039 
   H  82    5.9769     1.5200     4.4784     2.5130     3.8674     3.5316 
   H  83    7.9167     2.2900     6.7026     2.7043     5.0660     4.5027 
   H  84    2.2992     7.1349     2.5117     7.4551     5.4959     6.0687 
   H  85    6.9076     1.4331     6.0932     1.2283     3.7165     3.0928 
   H  86    7.4603     2.1942     6.7906     1.7282     4.1319     3.4828 
   H  87    3.4365     7.3022     2.6820     7.7926     6.1742     6.6701 
   H  88    3.8124     7.5975     3.0174     8.1127     6.5373     7.0251 
   H  89    4.4066     9.5868     4.9484     9.8867     7.8199     8.4230 
   H  90    5.0931     9.7118     5.0369    10.1436     8.3106     8.8661 
   H  91    8.9406     3.3532     8.0280     3.2443     5.7226     5.0841 
   H  92    3.2151     6.3720     1.8844     6.9131     5.4759     5.9202 
   H  93    5.5189    10.3867     5.7023    10.7757     8.8457     9.4232 
   H  94    5.8828    10.9707     6.2966    11.3114     9.2865     9.8840 
   H  95    5.2758     8.5957     4.2558     9.2111     7.8460     8.2904 
   H  96    6.0605    10.4650     5.8326    10.9502     9.2103     9.7477 
   H  97    7.6612     2.8440     7.2277     2.1212     4.2244     3.5764 
   H  98    7.8271     3.5191     7.6267     2.6596     4.3644     3.7491 
   H  99    8.6802     4.0841     8.3972     3.3309     5.2166     4.5910 
   H 100    9.6789     4.7390     9.2531     4.1355     6.2246     5.5847 
   H 101   10.3695     5.1927     9.8123     4.7150     6.9389     6.2905 
   H 102    9.8729     4.5067     9.1755     4.1480     6.4991     5.8463 
   H 103    5.9462    11.3431     6.7513    11.5863     9.4089    10.0343 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    2.7880     0.0000 
   C  27    1.0849     2.1148     0.0000 
   C  28    1.4784     3.7501     2.5330     0.0000 
   C  29    2.0151     3.4843     2.8750     1.0000     0.0000 
   C  30    6.9249     4.2716     6.3848     7.4678     6.7860     0.0000 
   C  31    6.8487     4.0832     6.1735     7.5769     7.0015     1.0000 
   C  32    7.8639     5.2524     7.3613     8.3288     7.5955     1.0000 
   C  33    1.7320     4.1587     2.0473     2.5960     3.4753     8.4221 
   C  34    8.1174     5.6713     7.7358     8.4101     7.5975     1.7321 
   C  35    2.0000     3.7661     1.7384     3.2491     3.9850     8.0167 
   C  36    3.0000     4.5154     2.6352     4.2122     4.9790     8.6846 
   C  37    3.4641     5.7287     3.6341     4.1584     5.1084     9.9956 
   C  38    3.6055     5.4503     3.4693     4.5945     5.4678     9.6563 
   C  39    9.0983     6.6712     8.7331     9.3451     8.5068     2.6458 
   C  40    4.3589     6.7182     4.6150     4.8642     5.8483    10.9879 
   C  41    9.4778     7.2166     9.2152     9.5754     8.6829     3.4641 
   C  42   10.4746     8.2110    10.2148    10.5495     9.6456     4.3589 
   C  43    8.9439     6.8784     8.7836     8.9133     7.9862     3.6056 
   H  44    4.0470     1.6398     3.6330     4.5853     3.9782     2.9025 
   H  45    5.7328     3.0414     5.1561     6.3684     5.7597     1.2368 
   H  46    2.0587     2.8916     2.6856     1.5435     0.7123     6.0742 
   H  47    3.9342     3.2936     4.2211     3.5520     2.5903     4.7672 
   H  48    4.2863     3.0679     4.3813     4.1385     3.2300     3.9743 
   H  49    4.0633     1.2897     3.2916     5.0262     4.6852     3.2709 
   H  50    3.2796     0.4944     2.5661     4.2325     3.9249     3.8489 
   H  51    5.3791     2.6549     4.7685     6.0743     5.5094     1.6472 
   H  52    2.5774     3.0775     3.1507     1.9820     1.0254     5.8839 
   H  53    3.3277     3.2970     3.7865     2.7678     1.7852     5.4585 
   H  54    5.2649     3.5984     5.2273     5.2163     4.3172     3.1769 
   H  55    6.0820     4.2641     6.0020     6.0423     5.1342     2.8781 
   H  56    6.0190     3.3829     5.4919     6.5774     5.9198     0.9061 
   H  57    2.4872     0.5272     1.6817     3.6096     3.4870     4.7447 
   H  58    2.1701     1.3253     1.1538     3.5076     3.6096     5.4907 
   H  59    6.7192     4.6430     6.5311     6.7963     5.9178     2.2907 
   H  60    6.9684     4.6442     6.6533     7.2070     6.3847     1.5282 
   H  61    3.8285     2.8991     4.0009     3.6257     2.7143     4.3803 
   H  62    4.7041     3.5896     4.8609     4.4302     3.4788     4.1400 
   H  63    4.8262     3.1908     4.7850     4.8153     3.9373     3.2806 
   H  64    4.3037     2.9046     4.3302     4.2486     3.3694     3.7215 
   H  65    5.0795     3.7721     5.1789     4.8560     3.9111     3.8423 
   H  66    5.5124     3.7625     5.4475     5.4845     4.5878     3.0012 
   H  67    0.8499     3.0839     0.9902     2.1838     2.8474     7.3409 
   H  68    3.2376     0.6200     2.6799     4.0261     3.6120     3.7179 
   H  69    3.2735     0.6200     2.4638     4.3302     4.1005     4.0507 
   H  70    2.4150     0.6200     1.5912     3.5616     3.4645     4.8414 
   H  71    1.6817     2.1211     0.6200     3.1463     3.4862     6.3499 
   H  72    1.1539     2.7120     0.6200     2.6127     3.1465     6.9832 
   H  73    1.1066     3.7249     2.1899     0.6201     1.5680     7.6605 
   H  74    1.9533     4.3660     3.0361     0.6200     1.4158     8.0660 
   H  75    1.9434     3.8938     2.9441     0.5572     0.6201     7.3716 
   H  76    2.6178     3.9935     3.4950     1.4157     0.6200     7.0226 
   H  77    2.2612     3.1445     2.9380     1.5679     0.6200     6.2071 
   H  78    1.9788     3.8755     2.9673     0.6200     0.5573     7.3227 
   H  79    5.3672     2.6237     4.5231     6.3672     6.0115     2.7170 
   H  80    7.4687     4.7018     6.7884     8.1881     7.5981     1.1766 
   H  81    6.8745     4.0866     6.1214     7.7092     7.2019     1.6200 
   H  82    6.2287     3.4649     5.5597     6.9672     6.4093     1.1766 
   H  83    8.3406     5.6717     7.7866     8.8649     8.1559     1.4158 
   H  84    1.2347     3.5388     1.4279     2.3781     3.1489     7.8030 
   H  85    7.5041     5.0907     7.1402     7.7904     6.9813     1.4156 
   H  86    8.1207     5.8052     7.8193     8.3040     7.4492     2.1828 
   H  87    2.3715     3.6412     1.8168     3.7320     4.3865     7.8191 
   H  88    2.7431     3.9518     2.1890     4.0815     4.7569     8.0857 
   H  89    3.5192     5.9793     3.8648     3.9913     4.9742    10.2494 
   H  90    4.0600     6.0404     4.0246     4.9196     5.8368    10.2615 
   H  91    9.5133     7.0061     9.0944     9.8258     9.0106     2.8292 
   H  92    2.2900     2.7496     1.3522     3.7656     4.2135     6.8509 
   H  93    4.5429     6.7213     4.6556     5.2087     6.1715    10.9705 
   H  94    4.9779     7.3251     5.2266     5.4483     6.4382    11.5923 
   H  95    4.2100     5.0743     3.5820     5.5352     6.2242     8.9609 
   H  96    5.0104     6.8053     4.8724     5.9167     6.8263    10.9579 
   H  97    8.4103     6.2843     8.2149     8.4411     7.5341     3.0148 
   H  98    8.6543     6.7350     8.5637     8.5357     7.5883     3.8242 
   H  99    9.4878     7.4766     9.3587     9.4025     8.4595     4.2048 
   H 100   10.4453     8.2952    10.2491    10.4333     9.5052     4.6403 
   H 101   11.0928     8.8282    10.8347    11.1557    10.2460     4.9340 
   H 102   10.5404     8.1732    10.2182    10.7004     9.8232     4.1518 
   H 103    5.1927     7.7787     5.6666     5.3306     6.3287    12.0389 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.7320     0.0000 
   C  33    8.2194     9.3918     0.0000 
   C  34    2.6458     1.0000     9.7252     0.0000 
   C  35    7.7079     9.0067     0.9999     9.4329     0.0000 
   C  36    8.2863     9.6830     1.7321    10.1746     1.0000     0.0000 
   C  37    9.7065    10.9806     1.7321    11.3697     2.0000     1.7321 
   C  38    9.2771    10.6530     2.0000    11.1206     1.7320     1.0000 
   C  39    3.4641     1.7321    10.7170     1.0000    10.4323    11.1740 
   C  40   10.7059    11.9707     2.6458    12.3457     2.9999     2.6457 
   C  41    4.3589     2.6458    11.1457     1.7320    10.9402    11.7311 
   C  42    5.1961     3.4641    12.1450     2.6457    11.9391    12.7262 
   C  43    4.5826     3.0000    10.6455     2.0000    10.5211    11.3597 
   H  44    3.0233     3.8195     5.6193     4.1077     5.3469     6.1396 
   H  45    1.2576     2.2321     7.1977     2.8162     6.7801     7.4513 
   H  46    6.2936     6.8887     3.7089     6.9095     4.0530     5.0519 
   H  47    5.2649     5.4063     5.6543     5.2188     5.8373     6.8097 
   H  48    4.5027     4.6091     6.0176     4.4458     6.0761     7.0138 
   H  49    2.9025     4.2709     5.3300     4.8493     4.8076     5.4235 
   H  50    3.6104     4.8394     4.6134     5.3103     4.1679     4.8661 
   H  51    1.5027     2.6459     6.8136     3.2336     6.3767     7.0374 
   H  52    6.1824     6.6526     4.2308     6.6073     4.5673     5.5650 
   H  53    5.8702     6.1538     5.0095     6.0172     5.2957     6.2873 
   H  54    3.8727     3.6718     6.9852     3.4026     6.9560     7.8561 
   H  55    3.7226     3.1660     7.7970     2.7294     7.7372     8.6198 
   H  56    1.2581     1.8697     7.5247     2.3947     7.1403     7.8334 
   H  57    4.4933     5.7333     3.7262     6.1802     3.2735     3.9976 
   H  58    5.1707     6.4856     3.1053     6.9625     2.5395     3.2123 
   H  59    3.2338     2.3888     8.4081     1.8697     8.2684     9.1090 
   H  60    2.5121     1.5659     8.6079     1.2152     8.3729     9.1586 
   H  61    4.8385     5.0625     5.5602     4.9402     5.6661     6.6203 
   H  62    4.7585     4.6802     6.4353     4.4046     6.5382     7.4872 
   H  63    3.8818     3.8752     6.5445     3.7029     6.5129     7.4149 
   H  64    4.2334     4.3800     6.0298     4.2560     6.0430     6.9654 
   H  65    4.5219     4.3239     6.8115     4.0014     6.8768     7.8125 
   H  66    3.7422     3.4478     7.2286     3.1451     7.1802     8.0710 
   H  67    7.1569     8.3087     1.0841     8.6432     1.1501     2.1501 
   H  68    3.6172     4.6854     4.7066     5.0688     4.3641     5.1310 
   H  69    3.7307     5.0483     4.4996     5.5657     3.9868     4.6351 
   H  70    4.5858     5.8303     3.6341     6.2771     3.1765     3.9012 
   H  71    6.0435     7.3419     2.2640     7.7912     1.6695     2.4014 
   H  72    6.7414     7.9641     1.4927     8.3516     1.1251     2.0575 
   H  73    7.6907     8.5563     1.9772     8.7033     2.6674     3.6140 
   H  74    8.1910     8.9155     2.7035     8.9698     3.4935     4.4046 
   H  75    7.5539     8.1952     3.1532     8.2123     3.7911     4.7614 
   H  76    7.3146     7.7827     3.9948     7.7062     4.5639     5.5514 
   H  77    6.4615     6.9996     3.8707     6.9837     4.2610     5.2609 
   H  78    7.5127     8.1423     3.2151     8.1535     3.8426     4.8158 
   H  79    2.0010     3.6550     6.5241     4.4427     5.8999     6.3883 
   H  80    0.6200     1.5201     8.8334     2.5122     8.3095     8.8703 
   H  81    0.6200     2.2901     8.1530     3.2380     7.5765     8.0917 
   H  82    0.6200     2.1114     7.6064     2.9083     7.1092     7.7080 
   H  83    1.8396     0.6201     9.8280     1.4159     9.3981    10.0351 
   H  84    7.6010     8.7739     0.6200     9.1156     0.8743     1.8397 
   H  85    2.4059     1.0812     9.1203     0.6200     8.8453     9.6022 
   H  86    3.1511     1.5967     9.7695     0.6199     9.5389    10.3205 
   H  87    7.4406     8.8166     1.6199     9.3010     0.6200     0.8743 
   H  88    7.6733     9.0849     1.8396     9.5936     0.8743     0.6200 
   H  89   10.0137    11.2237     1.8398    11.5650     2.3716     2.2901 
   H  90    9.8924    11.2570     2.3716    11.7116     2.2900     1.6199 
   H  91    3.5191     1.8397    11.1012     1.4158    10.7720    11.4805 
   H  92    6.4482     7.8502     2.2900     8.3656     1.4158     1.8397 
   H  93   10.6342    11.9618     2.8114    12.3835     2.9560     2.4059 
   H  94   11.2963    12.5771     3.2657    12.9600     3.5888     3.1512 
   H  95    8.4187     9.9567     3.1407    10.5622     2.2901     1.4157 
   H  96   10.5229    11.9574     3.3532    12.4629     3.1407     2.2900 
   H  97    4.0019     2.4825    10.1007     1.4955     9.9503    10.7771 
   H  98    4.8212     3.3532    10.3717     2.3715    10.3013    11.1681 
   H  99    5.1724     3.5505    11.1981     2.5558    11.0970    11.9460 
   H 100    5.5323     3.8121    12.1384     2.9083    11.9831    12.8000 
   H 101    5.7414     4.0131    12.7646     3.2379    12.5586    13.3436 
   H 102    4.9156     3.1995    12.1833     2.5121    11.9274    12.6825 
   H 103   11.8339    13.0038     3.6201    13.3039     4.2100     4.0131 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    1.0000     0.0000 
   C  39   12.3666    12.1206     0.0000 
   C  40    0.9999     1.7320    13.3409     0.0000 
   C  41   12.8307    12.6525     1.0000    13.7875     0.0000 
   C  42   13.8307    13.6502     1.7320    14.7872     1.0000     0.0000 
   C  43   12.3558    12.2486     1.7320    13.2910     1.0000     1.7320 
   H  44    7.2648     7.0560     5.1026     8.2383     5.5965     6.5943 
   H  45    8.7607     8.4209     3.7926     9.7539     4.5091     5.4575 
   H  46    5.4106     5.6520     7.8295     6.2207     8.0366     9.0081 
   H  47    7.3801     7.5211     6.0611     8.2256     6.1436     7.0884 
   H  48    7.7493     7.7948     5.3117     8.6381     5.4529     6.4175 
   H  49    6.8051     6.4040     5.8359     7.8042     6.5062     7.4748 
   H  50    6.1491     5.8222     6.3092     7.1436     6.8982     7.8861 
   H  51    8.3616     8.0095     4.2123     9.3564     4.9192     5.8725 
   H  52    5.9293     6.1739     7.5030     6.7309     7.6611     8.6215 
   H  53    6.7170     6.9330     6.8761     7.5269     6.9726     7.9178 
   H  54    8.7103     8.6867     4.2387     9.6234     4.3660     5.3339 
   H  55    9.5182     9.4692     3.4913    10.4384     3.5518     4.5117 
   H  56    9.1113     8.7964     3.3778    10.1010     4.0801     5.0321 
   H  57    5.2521     4.9411     7.1801     6.2464     7.7380     8.7313 
   H  58    4.5362     4.1692     7.9618     5.5354     8.5324     9.5246 
   H  59   10.1117     9.9957     2.6372    11.0538     2.7829     3.7687 
   H  60   10.2779    10.0819     2.1433    11.2427     2.5725     3.5686 
   H  61    7.2921     7.3731     5.8179     8.1676     5.9686     6.9331 
   H  62    8.1669     8.2482     5.2120     9.0373     5.2594     6.1989 
   H  63    8.2686     8.2435     4.5789     9.1839     4.7602     5.7372 
   H  64    7.7586     7.7688     5.1428     8.6623     5.3270     6.3018 
   H  65    8.5435     8.5956     4.7900     9.4256     4.8228     5.7613 
   H  66    8.9511     8.9119     3.9714     9.8693     4.0957     5.0651 
   H  67    2.7620     2.7885     9.6359     3.7123    10.0756    11.0754 
   H  68    6.3106     6.0593     6.0682     7.2946     6.6001     7.5956 
   H  69    5.9815     5.6058     6.5615     6.9799     7.1794     8.1621 
   H  70    5.1558     4.8440     7.2771     6.1504     7.8336     8.8271 
   H  71    3.6639     3.3294     8.7912     4.6629     9.3318    10.3279 
   H  72    3.0209     2.8571     9.3494     4.0069     9.8351    10.8348 
   H  73    3.5489     3.9749     9.6579     4.2818     9.9404    10.9243 
   H  74    4.0991     4.6581     9.8936     4.7012    10.0922    11.0580 
   H  75    4.7019     5.1515     9.1248     5.3829     9.3027    10.2646 
   H  76    5.5735     5.9945     8.5813     6.2594     8.6864     9.6285 
   H  77    5.5544     5.8330     7.8891     6.3402     8.0632     9.0268 
   H  78    4.7706     5.2141     9.0640     5.4548     9.2378    10.1987 
   H  79    7.8944     7.3869     5.3586     8.8925     6.1719     7.0759 
   H  80   10.3091     9.8639     3.1996    11.3089     4.1518     4.9156 
   H  81    9.5754     9.0894     4.0131    10.5749     4.9340     5.7414 
   H  82    9.1061     8.6950     3.8121    10.1049     4.6403     5.5322 
   H  83   11.3849    11.0158     1.8398    12.3798     2.8293     3.5192 
   H  84    2.2901     2.3716    10.1088     3.2379    10.5499    11.5497 
   H  85   10.7727    10.5408     1.5968    11.7455     2.1829     3.1512 
   H  86   11.4430    11.2466     1.0812    12.4063     1.4156     2.4059 
   H  87    2.3716     1.8396    10.3006     3.3532    10.8572    11.8521 
   H  88    2.2901     1.6199    10.5922     3.2379    11.1666    12.1594 
   H  89    0.6200     1.6200    12.5567     0.8743    12.9787    13.9774 
   H  90    0.8743     0.6200    12.7115     1.2347    13.2296    14.2282 
   H  91   12.7269    12.4407     0.6201    13.7092     1.4158     1.8396 
   H  92    3.3533     2.8292     9.3634     4.3433     9.9513    10.9416 
   H  93    1.0812     1.4156    13.3823     0.6200    13.8690    14.8689 
   H  94    1.5967     2.1828    13.9558     0.6200    14.4063    15.4060 
   H  95    2.8292     1.8396    11.5498     3.5191    12.1992    13.1779 
   H  96    1.8396     1.4157    13.4621     1.7732    14.0204    15.0159 
   H  97   11.8033    11.6747     1.5200    12.7464     1.1766     2.1115 
   H  98   12.0934    12.0330     2.2900    13.0121     1.6200     2.2901 
   H  99   12.9143    12.8266     2.1114    13.8418     1.1766     1.5201 
   H 100   13.8412    13.7051     2.1114    14.7841     1.1766     0.6200 
   H 101   14.4507    14.2689     2.2900    15.4070     1.6200     0.6200 
   H 102   13.8481    13.6234     1.5200    14.8163     1.1766     0.6199 
   H 103    2.2901     3.1408    14.2884     1.4158    14.6646    15.6594 

              C  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   C  43    0.0000 
   H  44    5.2386     0.0000 
   H  45    4.4529     1.7878     0.0000 
   H  46    7.3699     3.2707     5.0497     0.0000 
   H  47    5.4083     2.5728     4.0322     2.0338     0.0000 
   H  48    4.7756     1.9992     3.2880     2.5951     0.7982     0.0000 
   H  49    6.3296     1.4964     2.0510     4.0426     3.9300     3.4574 
   H  50    6.6150     1.4255     2.6126     3.3048     3.4658     3.1293 
   H  51    4.8340     1.5371     0.4205     4.8045     3.9435     3.2372 
   H  52    6.9608     3.1849     4.9268     0.5225     1.5715     2.2090 
   H  53    6.2354     2.9879     4.6167     1.3077     0.8295     1.5714 
   H  54    3.7107     2.1310     2.7835     3.6742     1.8232     1.0879 
   H  55    2.8813     2.6884     2.8266     4.4994     2.5979     1.9061 
   H  56    4.0263     2.0010     0.4309     5.2075     4.0307     3.2575 
   H  57    7.4055     2.1670     3.5089     2.9671     3.6598     3.5110 
   H  58    8.2037     2.9651     4.2542     3.2174     4.2602     4.2055 
   H  59    2.2529     3.0059     2.5904     5.2607     3.4277     2.6951 
   H  60    2.3507     3.0265     2.1162     5.6994     4.0124     3.2340 
   H  61    5.2876     2.1107     3.5972     2.0823     0.4621     0.5158 
   H  62    4.5158     2.4624     3.5872     2.8977     0.8926     0.5218 
   H  63    4.1351     1.7965     2.7176     3.2780     1.5343     0.7447 
   H  64    4.6872     1.7485     3.0152     2.7102     1.0461     0.2743 
   H  65    4.0795     2.4890     3.3994     3.3189     1.3291     0.8009 
   H  66    3.4495     2.2399     2.7048     3.9430     2.0898     1.3588 
   H  67    9.5939     4.5364     6.1188     2.9052     4.7327     5.0268 
   H  68    6.2587     1.0204     2.5038     2.9553     2.9537     2.6096 
   H  69    6.9252     1.7726     2.8163     3.5116     3.8021     3.4862 
   H  70    7.4981     2.2596     3.6055     2.9594     3.7068     3.5753 
   H  71    8.9610     3.7383     5.1131     3.2586     4.6610     4.7380 
   H  72    9.4016     4.2511     5.7511     3.0812     4.7561     4.9616 
   H  73    9.3177     4.7584     6.5167     1.9905     4.0243     4.5495 
   H  74    9.4019     5.1923     6.9777     2.0644     4.0044     4.6406 
   H  75    8.6024     4.5344     6.3213     1.3078     3.2007     3.8498 
   H  76    7.9382     4.3056     6.0606     1.1065     2.5428     3.2696 
   H  77    7.3708     3.4440     5.2115     0.2710     1.9861     2.6104 
   H  78    8.5348     4.4918     6.2780     1.2537     3.1318     3.7850 
   H  79    6.2044     2.4194     1.7775     5.3549     4.9917     4.3925 
   H  80    4.5068     3.6221     1.8391     6.8884     5.7855     5.0090 
   H  81    5.1928     3.2540     1.6180     6.5036     5.6409     4.9048 
   H  82    4.7390     2.4351     0.7412     5.7041     4.7682     4.0284 
   H  83    3.3534     4.3148     2.6305     7.4464     6.0100     5.2120 
   H  84   10.0659     5.0083     6.5780     3.2830     5.1628     5.4813 
   H  85    2.1944     3.5080     2.3319     6.2918     4.6242     3.8445 
   H  86    1.4333     4.1922     3.1247     6.7792     4.9838     4.2411 
   H  87   10.4911     5.2669     6.5845     4.3689     6.0317     6.1937 
   H  88   10.8184     5.5858     6.8546     4.7480     6.4075     6.5595 
   H  89   12.4621     7.4589     9.0207     5.3500     7.3598     7.7857 
   H  90   12.8079     7.6348     9.0253     6.0771     7.9933     8.3026 
   H  91    2.2901     5.4833     4.0399     8.3243     6.6052     5.8425 
   H  92    9.6279     4.3893     5.6200     4.0353     5.4594     5.5151 
   H  93   13.4121     8.2872     9.7337     6.4890     8.4613     8.8261 
   H  94   13.9110     8.8532    10.3573     6.8260     8.8362     9.2552 
   H  95   11.9335     6.7064     7.7609     6.2013     7.7925     7.8826 
   H  96   13.6386     8.4270     9.7277     7.0460     8.9337     9.2101 
   H  97    0.6201     4.6455     3.8339     6.8989     4.9798     4.3067 
   H  98    0.6200     5.1031     4.5298     6.9964     4.9987     4.4175 
   H  99    0.6200     5.8372     5.0720     7.8615     5.8711     5.2757 
   H 100    1.5200     6.6613     5.6673     8.8899     6.9246     6.2955 
   H 101    2.2900     7.2132     6.0539     9.6134     7.6812     7.0205 
   H 102    2.1114     6.5853     5.3123     9.1669     7.3014     6.5958 
   H 103   14.0990     9.2110    10.8167     6.8186     8.8524     9.3576 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7971     0.0000 
   H  51    1.6310     2.2128     0.0000 
   H  52    4.1328     3.4433     4.7188     0.0000 
   H  53    4.1678     3.5759     4.4696     0.7983     0.0000 
   H  54    3.6041     3.5128     2.8705     3.2969     2.6384     0.0000 
   H  55    4.0711     4.1120     3.0267     4.1108     3.4249     0.8294 
   H  56    2.4582     2.9759     0.8404     5.0440     4.6707     2.6223 
   H  57    1.6127     0.8972     3.1100     3.2327     3.5622     4.1006 
   H  58    2.2689     1.6543     3.8458     3.5781     4.0394     4.8632 
   H  59    4.2101     4.4078     2.8906     4.9016     4.2478     1.6106 
   H  60    3.9911     4.3334     2.4864     5.3924     4.8052     2.2067 
   H  61    3.4780     3.0401     3.4940     1.6941     1.0914     1.6031 
   H  62    3.9418     3.6434     3.5865     2.4560     1.7203     1.0129 
   H  63    3.2902     3.1350     2.7398     2.9259     2.3153     0.4434 
   H  64    3.2217     2.9322     2.9630     2.3602     1.7770     0.9766 
   H  65    3.9853     3.7712     3.4473     2.8869     2.1576     0.6657 
   H  66    3.6833     3.6468     2.8303     3.5678     2.9075     0.2710 
   H  67    4.2809     3.5467     5.7380     3.4214     4.1600     5.9593 
   H  68    1.0965     0.5206     2.1417     3.0364     3.1031     3.0317 
   H  69    0.8308     0.3620     2.4037     3.6903     3.8738     3.8721 
   H  70    1.7009     0.9934     3.2060     3.2390     3.5889     4.1802 
   H  71    3.1414     2.5026     4.7082     3.7027     4.2946     5.5055 
   H  72    3.8448     3.1472     5.3580     3.5766     4.2638     5.8313 
   H  73    5.0146     4.2183     6.1951     2.4776     3.2754     5.6077 
   H  74    5.6444     4.8500     6.6883     2.4411     3.1916     5.7263 
   H  75    5.1373     4.3575     6.0553     1.6432     2.3860     4.9372 
   H  76    5.1474     4.4112     5.8424     1.1394     1.7143     4.3481 
   H  77    4.2754     3.5484     4.9809     0.4146     1.2043     3.6974 
   H  78    5.1134     4.3362     6.0153     1.5772     2.3157     4.8726 
   H  79    1.3413     2.1355     1.4674     5.4064     5.3524     4.2375 
   H  80    3.5100     4.2273     2.1154     6.7618     6.4202     4.3000 
   H  81    2.8318     3.5967     1.7263     6.4389     6.1931     4.3638 
   H  82    2.3016     2.9947     0.8999     5.6116     5.3354     3.5034 
   H  83    4.6120     5.2362     3.0234     7.2271     6.7478     4.2882 
   H  84    4.7141     3.9939     6.1936     3.8042     4.5615     6.4248 
   H  85    4.3253     4.7456     2.7384     5.9944     5.4153     2.8180 
   H  86    5.0977     5.4828     3.5273     6.4399     5.8014     3.1630 
   H  87    4.5644     3.9937     6.1720     4.8683     5.5567     7.0098 
   H  88    4.8196     4.2833     6.4391     5.2481     5.9365     7.3623 
   H  89    7.1132     6.4220     8.6310     5.8588     6.6554     8.7822 
   H  90    7.0147     6.4218     8.6154     6.5995     7.3731     9.2186 
   H  91    6.0899     6.6184     4.4591     8.0167     7.4124     4.7826 
   H  92    3.5855     3.0576     5.2043     4.4913     5.0950     6.2462 
   H  93    7.7437     7.1224     9.3282     7.0069     7.7960     9.7795 
   H  94    8.3964     7.7456     9.9579     7.3338     8.1308    10.2427 
   H  95    5.7140     5.3199     7.3405     6.6949     7.3637     8.6140 
   H  96    7.6894     7.1531     9.3117     7.5685     8.3348    10.0963 
   H  97    5.7130     6.0107     4.2140     6.5100     5.8092     3.2249 
   H  98    6.2978     6.5106     4.8842     6.5657     5.8177     3.3898 
   H  99    6.9468     7.2219     5.4539     7.4360     6.6919     4.2316 
   H 100    7.6425     7.9994     6.0732     8.4799     7.7505     5.2281 
   H 101    8.0792     8.5001     6.4706     9.2212     8.5102     5.9394 
   H 102    7.3558     7.8206     5.7322     8.8047     8.1292     5.5080 
   H 103    8.9374     8.2320    10.4336     7.2980     8.0922    10.3934 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    2.5515     0.0000 
   H  57    4.7815     3.8670     0.0000 
   H  58    5.5632     4.6272     0.7983     0.0000 
   H  59    0.8637     2.2243     5.1699     5.9668     0.0000 
   H  60    1.6106     1.6982     5.1661     5.9613     0.8295     0.0000 
   H  61    2.4215     3.6160     3.2944     3.9356     3.2080     3.7259 
   H  62    1.7268     3.5009     4.0321     4.7212     2.5750     3.2169 
   H  63    1.2576     2.6242     3.6852     4.4394     1.9828     2.4901 
   H  64    1.8059     2.9911     3.3668     4.0848     2.5511     3.0411 
   H  65    1.2995     3.2666     4.2411     4.9616     2.1558     2.8288 
   H  66    0.5703     2.5063     4.2727     5.0451     1.3405     1.9579 
   H  67    6.7618     6.4423     2.6694     2.1129     7.3500     7.5313 
   H  68    3.6675     2.8183     1.1468     1.9452     4.0252     4.0276 
   H  69    4.4610     3.2011     0.7933     1.4479     4.7332     4.6245 
   H  70    4.8666     3.9640     0.0972     0.7057     5.2612     5.2615 
   H  71    6.2475     5.4781     1.6135     0.8728     6.7121     6.7595 
   H  72    6.6121     6.0945     2.2524     1.6134     7.1494     7.2727 
   H  73    6.4371     6.7592     3.5008     3.2651     7.1576     7.5147 
   H  74    6.5463     7.1794     4.2116     4.0664     7.3211     7.7616 
   H  75    5.7535     6.4972     3.8256     3.8288     6.5378     7.0004 
   H  76    5.1393     6.1831     4.0408     4.2087     5.9586     6.4914 
   H  77    4.5152     5.3519     3.2329     3.4881     5.2979     5.7701 
   H  78    5.6880     6.4503     3.8172     3.8358     6.4744     6.9411 
   H  79    4.4783     2.1888     2.8837     3.4189     4.3521     3.8869 
   H  80    4.0508     1.7553     5.1073     5.7754     3.4586     2.6699 
   H  81    4.2800     1.7491     4.4445     5.0621     3.8331     3.1274 
   H  82    3.4749     0.9237     3.8810     4.5701     3.1180     2.5025 
   H  83    3.7845     2.3219     6.1334     6.8629     2.9977     2.1804 
   H  84    7.2298     6.9063     3.1081     2.5036     7.8229     8.0054 
   H  85    2.1936     1.9014     5.6048     6.3925     1.3603     0.6120 
   H  86    2.4101     2.6938     6.3254     7.1189     1.5572     1.1661 
   H  87    7.7648     6.9637     3.1233     2.3395     8.2416     8.2847 
   H  88    8.1104     7.2413     3.4287     2.6351     8.5718     8.5948 
   H  89    9.6009     9.3550     5.5276     4.8541    10.2322    10.4458 
   H  90   10.0098     9.3974     5.5360     4.7714    10.5556    10.6612 
   H  91    4.0606     3.6475     7.5034     8.2721     3.1992     2.6259 
   H  92    6.9674     6.0080     2.2227     1.4244     7.3894     7.3818 
   H  93   10.5840    10.0961     6.2292     5.4838    11.1644    11.3088 
   H  94   11.0581    10.7078     6.8486     6.1281    11.6737    11.8601 
   H  95    9.3245     8.1721     4.5497     3.7614     9.7121     9.6464 
   H  96   10.8744    10.1148     6.2875     5.5006    11.3864    11.4479 
   H  97    2.4006     3.4080     6.8110     7.6093     1.6926     1.7308 
   H  98    2.5752     4.1163     7.2610     8.0555     2.1034     2.4192 
   H  99    3.4073     4.6450     8.0038     8.8015     2.8380     2.9706 
   H 100    4.3987     5.2370     8.8203     9.6178     3.7303     3.6678 
   H 101    5.1145     5.6307     9.3479    10.1405     4.3832     4.1871 
   H 102    4.7044     4.8978     8.6859     9.4712     3.9065     3.5757 
   H 103   11.2206    11.1393     7.3418     6.6858    11.8957    12.1610 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    0.8767     0.0000 
   H  63    1.2400     0.8767     0.0000 
   H  64    0.6874     0.7211     0.5684     0.0000 
   H  65    1.2605     0.4376     0.7212     0.8768     0.0000 
   H  66    1.8739     1.2604     0.6873     1.2399     0.8768     0.0000 
   H  67    4.5922     5.4686     5.5166     5.0184     5.8265     6.1963 
   H  68    2.5234     3.1248     2.6408     2.4159     3.2619     3.1806 
   H  69    3.3832     4.0016     3.4964     3.2920     4.1330     4.0026 
   H  70    3.3482     4.0957     3.7626     3.4359     4.3112     4.3550 
   H  71    4.3990     5.2364     5.0691     4.6564     5.5237     5.7085 
   H  72    4.5630     5.4310     5.3883     4.9223     5.7616     6.0551 
   H  73    4.0461     4.8825     5.1907     4.6317     5.2978     5.8715 
   H  74    4.1250     4.8941     5.3385     4.7701     5.3269     5.9964 
   H  75    3.3342     4.0914     4.5571     3.9891     4.5252     5.2078 
   H  76    2.7668     3.4297     4.0064     3.4503     3.8672     4.6181 
   H  77    2.0947     2.8695     3.3178     2.7501     3.2995     3.9680 
   H  78    3.2695     4.0229     4.4944     3.9266     4.4570     5.1433 
   H  79    4.5297     4.8168     4.0326     4.1287     4.7538     4.2346 
   H  80    5.3708     5.2284     4.3551     4.7444     4.9608     4.1431 
   H  81    5.1994     5.2020     4.3293     4.6315     4.9977     4.2552 
   H  82    4.3295     4.3267     3.4552     3.7553     4.1298     3.4075 
   H  83    5.6575     5.2949     4.4822     4.9782     4.9421     4.0665 
   H  84    5.0387     5.9155     5.9825     5.4793     6.2796     6.6635 
   H  85    4.3340     3.8271     3.1001     3.6481     3.4352     2.5673 
   H  86    4.7503     4.1313     3.5140     4.0806     3.7088     2.8945 
   H  87    5.8177     6.6768     6.5701     6.1336     6.9892     7.2199 
   H  88    6.1888     7.0454     6.9239     6.4947     7.3534     7.5690 
   H  89    7.3105     8.1778     8.3445     7.8168     8.5698     9.0310 
   H  90    7.8676     8.7442     8.7752     8.2885     9.1025     9.4489 
   H  91    6.3424     5.7704     5.1028     5.6609     5.3547     4.5189 
   H  92    5.1894     6.0186     5.8146     5.4223     6.2943     6.4392 
   H  93    8.3714     9.2466     9.3372     8.8317     9.6214    10.0181 
   H  94    8.7831     9.6518     9.8034     9.2809    10.0417    10.4889 
   H  95    7.5438     8.3826     8.1842     7.7935     8.6646     8.8028 
   H  96    8.7887     9.6639     9.6533     9.1824    10.0110    10.3192 
   H  97    4.8221     4.0921     3.6340     4.1960     3.6548     2.9571 
   H  98    4.9203     4.1097     3.8282     4.3591     3.6801     3.1431 
   H  99    5.7821     4.9807     4.6648     5.2060     4.5492     3.9776 
   H 100    6.8076     6.0321     5.6494     6.2044     5.5966     4.9653 
   H 101    7.5357     6.7901     6.3464     6.9098     6.3526     5.6715 
   H 102    7.1106     6.4215     5.8893     6.4576     5.9861     5.2370 
   H 103    8.8622     9.7082     9.9643     9.4181    10.1193    10.6509 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    3.6240     0.0000 
   H  69    3.4538     0.8768     0.0000 
   H  70    2.5800     1.2400     0.8768     0.0000 
   H  71    1.3524     2.7327     2.3179     1.5163     0.0000 
   H  72    0.5695     3.2897     3.0140     2.1580     0.7982     0.0000 
   H  73    1.6594     4.0855     4.2645     3.4390     2.7745     2.1471 
   H  74    2.5315     4.6460     4.9417     4.1602     3.6339     3.0237 
   H  75    2.7029     4.0902     4.4975     3.7898     3.5640     3.0958 
   H  76    3.4377     4.0574     4.6133     4.0252     4.1059     3.7581 
   H  77    3.1110     3.1833     3.7642     3.2267     3.5176     3.3144 
   H  78    2.7482     4.0615     4.4815     3.7831     3.5873     3.1323 
   H  79    5.5102     2.4008     2.0937     2.9619     4.2752     5.0316 
   H  80    7.7729     4.2368     4.3399     5.1993     6.6481     7.3529 
   H  81    7.1113     3.6919     3.6576     4.5321     5.9307     6.6627 
   H  82    6.5414     2.9976     3.1256     3.9743     5.4422     6.1315 
   H  83    8.7484     5.1284     5.4160     6.2294     7.7288     8.3800 
   H  84    0.4744     4.0885     3.8842     3.0164     1.6832     0.8924 
   H  85    8.0394     4.4827     5.0140     5.7013     7.2118     7.7574 
   H  86    8.6943     5.1901     5.7641     6.4212     7.9227     8.4388 
   H  87    1.5551     4.2571     3.7684     3.0269     1.5302     1.2936 
   H  88    1.9164     4.5706     4.0404     3.3333     1.8639     1.6737 
   H  89    2.9226     6.5387     6.2834     5.4332     3.9849     3.2752 
   H  90    3.2764     6.6453     6.2123     5.4388     3.9226     3.4064 
   H  91   10.0175     6.4164     6.8484     7.6006     9.1168     9.7061 
   H  92    1.6986     3.3695     2.8069     2.1297     0.8019     1.1678 
   H  93    3.8224     7.3156     6.9310     6.1321     4.6205     4.0364 
   H  94    4.3307     7.9050     7.5748     6.7522     5.2568     4.6157 
   H  95    3.3824     5.6885     5.0221     4.4617     3.1464     3.1200 
   H  96    4.2017     7.4204     6.9139     6.1911     4.6890     4.2650 
   H  97    9.0417     5.6643     6.3171     6.9043     8.3765     8.8340 
   H  98    9.3365     6.1198     6.8366     7.3509     8.7805     9.1771 
   H  99   10.1538     6.8575     7.5352     8.0958     9.5499     9.9752 
   H 100   11.0797     7.6758     8.2922     8.9147    10.3985    10.8687 
   H 101   11.6953     8.2133     8.7734     9.4438    10.9458    11.4546 
   H 102   11.1058     7.5655     8.0777     8.7826    10.2942    10.8364 
   H 103    4.6982     8.3213     8.1068     7.2486     5.8193     5.0930 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8769     0.0000 
   H  75    1.1767     0.8057     0.0000 
   H  76    2.0319     1.6200     0.8768     0.0000 
   H  77    2.0739     2.0319     1.2401     0.8769     0.0000 
   H  78    1.2401     0.8769     0.0739     0.8057     1.1766     0.0000 
   H  79    6.3444     6.9852     6.4749     6.4545     5.5786     6.4498 
   H  80    8.3081     8.8010     8.1562     7.8974     7.0503     8.1139 
   H  81    7.7743     8.3280     7.7299     7.5566     6.6898     7.6937 
   H  82    7.0737     7.5825     6.9546     6.7384     5.8789     6.9148 
   H  83    9.0703     9.4581     8.7499     8.3611     7.5661     8.6988 
   H  84    1.7931     2.6245     2.9239     3.7135     3.4714     2.9772 
   H  85    8.0836     8.3511     7.5954     7.0979     6.3685     7.5370 
   H  86    8.6358     8.8435     8.0684     7.5096     6.8303     8.0065 
   H  87    3.1791     4.0305     4.2572     4.9854     4.5965     4.3031 
   H  88    3.5166     4.3565     4.6127     5.3526     4.9746     4.6603 
   H  89    3.4076     3.8434     4.5128     5.3896     5.4670     4.5844 
   H  90    4.3015     4.9120     5.4718     6.3333     6.2421     5.5380 
   H  91   10.1161    10.3852     9.6261     9.1092     8.3959     9.5670 
   H  92    3.3147     4.1912     4.2280     4.8329     4.2895     4.2591 
   H  93    4.6064     5.1058     5.7445     6.6198     6.6290     5.8146 
   H  94    4.8750     5.2570     5.9584     6.8334     6.9402     6.0309 
   H  95    4.9575     5.7776     6.0721     6.8195     6.4326     6.1212 
   H  96    5.2979     5.9112     6.4698     7.3294     7.2184     6.5356 
   H  97    8.8246     8.9468     8.1531     7.5215     6.9154     8.0872 
   H  98    8.9659     9.0030     8.1993     7.5037     6.9789     8.1302 
   H  99    9.8252     9.8748     9.0717     8.3800     7.8487     9.0029 
   H 100   10.8358    10.9210    10.1209     9.4493     8.8902    10.0531 
   H 101   11.5357    11.6597    10.8644    10.2181     9.6279    10.7980 
   H 102   11.0470    11.2277    10.4433     9.8436     9.2032    10.3794 
   H 103    4.8282     5.0115     5.7817     6.6307     6.8880     5.8556 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    2.5266     0.0000 
   H  81    1.7070     0.8768     0.0000 
   H  82    1.5469     1.2400     0.8769     0.0000 
   H  83    3.8385     1.4245     2.2900     2.3470     0.0000 
   H  84    5.9194     8.2154     7.5398     6.9875     9.2084     0.0000 
   H  85    4.0379     2.4200     3.0232     2.5475     1.6621     8.5126 
   H  86    4.8343     3.0828     3.7599     3.3354     2.0354     9.1686 
   H  87    5.5682     8.0302     7.2653     6.8562     9.1762     1.4157 
   H  88    5.7694     8.2550     7.4735     7.0979     9.4291     1.7321 
   H  89    8.2544    10.6232     9.9154     9.4055    11.6510     2.4522 
   H  90    8.0062    10.4805     9.7082     9.3083    11.6255     2.8315 
   H  91    5.4854     3.1552     4.0131     3.9475     1.7321    10.4882 
   H  92    4.5682     7.0348     6.2659     5.8683     8.1961     1.8397 
   H  93    8.7711    11.2281    10.4683    10.0433    12.3467     3.3548 
   H  94    9.4653    11.8967    11.1539    10.6980    12.9810     3.8564 
   H  95    6.4343     8.9609     8.1263     7.8880    10.2341     3.1644 
   H  96    8.5860    11.0948    10.2928     9.9567    12.2944     3.7759 
   H  97    5.5887     3.9636     4.6167     4.1338     2.8996     9.5149 
   H  98    6.3045     4.8188     5.4400     4.9027     3.7760     9.8049 
   H  99    6.8208     5.0676     5.7779     5.3476     3.8537    10.6243 
   H 100    7.3454     5.3060     6.1022     5.8162     3.9475    11.5529 
   H 101    7.6484     5.4279     6.2701     6.1022     4.0131    12.1696 
   H 102    6.8522     4.5762     5.4279     5.3060     3.1553    11.5798 
   H 103   10.0919    12.4459    11.7479    11.2228    13.4466     4.2400 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    0.7970     0.0000 
   H  87    8.7280     9.4463     0.0000 
   H  88    9.0269     9.7536     0.3801     0.0000 
   H  89   10.9600    11.6064     2.8315     2.8059     0.0000 
   H  90   11.1280    11.8269     2.4521     2.2399     1.4158     0.0000 
   H  91    2.0355     1.6621    10.6101    10.8888    12.9401    13.0390 
   H  92    7.8032     8.5367     1.0001     1.2348     3.7760     3.4457 
   H  93   11.7922    12.4748     3.2031     3.0231     1.2868     0.8135 
   H  94   12.3609    13.0240     3.9061     3.7598     1.4766     1.6022 
   H  95   10.0270    10.7845     1.8397     1.4674     3.4457     2.2900 
   H  96   11.8919    12.6102     3.1643     2.8735     2.2900     1.0000 
   H  97    1.5992     0.8859     9.9067    10.2301    11.9244    12.2392 
   H  98    2.4188     1.7577    10.3062    10.6438    12.1720    12.5792 
   H  99    2.8003     2.0229    11.0793    11.4098    13.0070    13.3811 
   H 100    3.3355     2.5475    11.9279    12.2462    13.9609    14.2727 
   H 101    3.7599     3.0232    12.4694    12.7755    14.5967    14.8475 
   H 102    3.0828     2.4200    11.8085    12.1038    14.0215    14.2108 
   H 103   12.6929    13.3132     4.6468     4.5801     1.8397     2.6458 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92    9.6553     0.0000 
   H  93   13.7274     4.2030     0.0000 
   H  94   14.3209     4.9034     0.7970     0.0000 
   H  95   11.7898     2.3717     3.0689     3.8653     0.0000 
   H  96   13.7623     4.1077     1.1540     1.7991     2.3715     0.0000 
   H  97    2.1343     9.0337    12.8542    13.3662    11.3305    13.0597 
   H  98    2.8736     9.4748    13.1588    13.6316    11.8082    13.4338 
   H  99    2.5890    10.2250    13.9750    14.4617    12.5381    14.2210 
   H 100    2.3470    11.0409    14.8915    15.4040    13.3142    15.0856 
   H 101    2.2901    11.5564    15.4889    16.0258    13.7863    15.6334 
   H 102    1.4245    10.8769    14.8723    15.4330    13.0698    14.9716 
   H 103   14.6926     5.6084     1.9204     1.2047     4.9340     3.0000 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    0.8768     0.0000 
   H  99    1.2400     0.8769     0.0000 
   H 100    2.0380     1.9721     1.1121     0.0000 
   H 101    2.7145     2.8059     1.9721     0.8768     0.0000 
   H 102    2.3521     2.7145     2.0379     1.2400     0.8768     0.0000 
   H 103   13.5819    13.7730    14.6241    15.6101    16.2764    15.7330 

              H 103
              -----------
   H 103    0.0000 



ATOMIC CHARGES
   O   1   -0.3914656661
   O   2   -0.3448915620
   O   3   -0.3405231338
   O   4   -0.3841039501
   O   5   -0.3864008834
   O   6   -0.3864882690
   O   7   -0.3923661820
   C   8   -0.0228990432
   C   9   -0.0206766045
   C  10   -0.0271088581
   C  11   -0.0251664778
   C  12   -0.0025728290
   C  13   -0.0278349458
   C  14   -0.0465575867
   C  15   -0.0227030880
   C  16    0.0593978931
   C  17   -0.0486183675
   C  18   -0.0462150994
   C  19   -0.0052295637
   C  20   -0.0144515457
   C  21   -0.0447194822
   C  22   -0.0456480225
   C  23   -0.0587820543
   C  24   -0.0587016684
   C  25    0.0671742594
   C  26   -0.0590176711
   C  27   -0.0254703566
   C  28   -0.0571810219
   C  29   -0.0571810219
   C  30   -0.0727941755
   C  31   -0.0435047661
   C  32   -0.0810135134
   C  33    0.1882293015
   C  34   -0.0160574311
   C  35    0.1341214310
   C  36    0.1140614559
   C  37    0.1130051273
   C  38    0.1118957571
   C  39   -0.0815486969
   C  40    0.0730151421
   C  41   -0.0793258328
   C  42   -0.0440401459
   C  43   -0.0440401459
   H  44    0.0312352535
   H  45    0.0336848596
   H  46    0.0312101930
   H  47    0.0270865252
   H  48    0.0270865252
   H  49    0.0293139716
   H  50    0.0293139716
   H  51    0.0596282295
   H  52    0.0268459257
   H  53    0.0268459257
   H  54    0.0270965231
   H  55    0.0270965231
   H  56    0.0349170945
   H  57    0.0271490310
   H  58    0.0271490310
   H  59    0.0271242223
   H  60    0.0271242223
   H  61    0.0235329983
   H  62    0.0235329983
   H  63    0.0235329983
   H  64    0.0235340282
   H  65    0.0235340282
   H  66    0.0235340282
   H  67    0.0602243388
   H  68    0.0235246195
   H  69    0.0235246195
   H  70    0.0235246195
   H  71    0.0290466184
   H  72    0.0290466184
   H  73    0.0235873613
   H  74    0.0235873613
   H  75    0.0235873613
   H  76    0.0235873613
   H  77    0.0235873613
   H  78    0.0235873613
   H  79    0.2097888031
   H  80    0.0274446745
   H  81    0.0274446745
   H  82    0.0274446745
   H  83    0.0574700552
   H  84    0.0937497551
   H  85    0.0349778853
   H  86    0.0349778853
   H  87    0.0670952741
   H  88    0.0647581102
   H  89    0.0646676548
   H  90    0.0646728421
   H  91    0.0574526263
   H  92    0.2101104719
   H  93    0.0583701609
   H  94    0.0583701609
   H  95    0.2100050343
   H  96    0.2100035480
   H  97    0.0274270440
   H  98    0.0274270440
   H  99    0.0274270440
   H 100    0.0274270440
   H 101    0.0274270440
   H 102    0.0274270440
   H 103    0.2095080306


BOND ANGLES
  16    1   79   C3   O3   HO    120.002
  25    2   33   C3   O3   C3    119.994
  33    3   37   C3   O3   C3    120.001
  35    4   92   C3   O3   HO    120.001
  36    5   95   C3   O3   HO    119.989
  38    6   96   C3   O3   HO    119.990
  40    7  103   C3   O3   HO    120.010
   9    8   10   C3   C3   C3    119.999
   9    8   14   C3   C3   C3    119.115
   9    8   23   C3   C3   C3     80.002
  10    8   14   C3   C3   C3    120.886
  10    8   23   C3   C3   C3    159.999
  14    8   23   C3   C3   C3     39.113
   8    9   12   C3   C3   C3    120.001
   8    9   18   C3   C3   C3    132.146
   8    9   24   C3   C3   C3     80.009
  12    9   18   C3   C3   C3    107.854
  12    9   24   C3   C3   C3    159.990
  18    9   24   C3   C3   C3     52.137
   8   10   11   C3   C3   C3    120.880
   8   10   15   C3   C3   C3    120.001
   8   10   44   C3   C3   HC     60.001
  11   10   15   C3   C3   C3    119.119
  11   10   44   C3   C3   HC    179.119
  15   10   44   C3   C3   HC     59.999
  10   11   13   C3   C3   C3    119.559
  10   11   21   C3   C3   C3    119.557
  10   11   26   C3   C3   C3     60.440
  13   11   21   C3   C3   C3    120.884
  13   11   26   C3   C3   C3    179.974
  21   11   26   C3   C3   C3     59.117
   9   12   16   C3   C3   C3    120.001
   9   12   20   C3   C3   C3    107.854
   9   12   45   C3   C3   HC    173.923
  16   12   20   C3   C3   C3    132.146
  16   12   45   C3   C3   HC     66.077
  20   12   45   C3   C3   HC     66.069
  11   13   17   C3   C3   C3    119.561
  11   13   19   C3   C3   C3    120.879
  11   13   46   C3   C3   HC    179.344
  17   13   19   C3   C3   C3    119.560
  17   13   46   C3   C3   HC     59.783
  19   13   46   C3   C3   HC     59.777
   8   14   17   C3   C3   C3    119.556
   8   14   47   C3   C3   HC    160.299
   8   14   48   C3   C3   HC     80.158
  17   14   47   C3   C3   HC     80.144
  17   14   48   C3   C3   HC    160.286
  47   14   48   HC   C3   HC     80.142
  10   15   16   C3   C3   C3    120.001
  10   15   49   C3   C3   HC    159.999
  10   15   50   C3   C3   HC     80.006
  16   15   49   C3   C3   HC     80.001
  16   15   50   C3   C3   HC    159.993
  49   15   50   HC   C3   HC     79.993
   1   16   12   O3   C3   C3    120.001
   1   16   15   O3   C3   C3    120.001
   1   16   51   O3   C3   HC     60.003
  12   16   15   C3   C3   C3    119.999
  12   16   51   C3   C3   HC     59.998
  15   16   51   C3   C3   HC    179.974
  13   17   14   C3   C3   C3    119.556
  13   17   52   C3   C3   HC     80.151
  13   17   53   C3   C3   HC    160.298
  14   17   52   C3   C3   HC    160.293
  14   17   53   C3   C3   HC     80.146
  52   17   53   HC   C3   HC     80.147
   9   18   22   C3   C3   C3    108.094
   9   18   54   C3   C3   HC     83.963
   9   18   55   C3   C3   HC    167.934
  22   18   54   C3   C3   HC    167.943
  22   18   55   C3   C3   HC     83.971
  54   18   55   HC   C3   HC     83.971
  13   19   25   C3   C3   C3    119.561
  13   19   28   C3   C3   C3    150.213
  13   19   29   C3   C3   C3     90.215
  25   19   28   C3   C3   C3     90.226
  25   19   29   C3   C3   C3    150.225
  28   19   29   C3   C3   C3     59.999
  12   20   22   C3   C3   C3    108.098
  12   20   30   C3   C3   C2    125.950
  12   20   56   C3   C3   HC     62.971
  22   20   30   C3   C3   C2    125.953
  22   20   56   C3   C3   HC    171.069
  30   20   56   C2   C3   HC     62.978
  11   21   27   C3   C3   C3    119.555
  11   21   57   C3   C3   HC     80.137
  11   21   58   C3   C3   HC    160.294
  27   21   57   C3   C3   HC    160.309
  27   21   58   C3   C3   HC     80.151
  57   21   58   HC   C3   HC     80.158
  18   22   20   C3   C3   C3    108.101
  18   22   59   C3   C3   HC     83.955
  18   22   60   C3   C3   HC    167.934
  20   22   59   C3   C3   HC    167.944
  20   22   60   C3   C3   HC     83.965
  59   22   60   HC   C3   HC     83.979
   8   23   61   C3   C3   HC     90.002
   8   23   62   C3   C3   HC    179.974
   8   23   63   C3   C3   HC     90.004
  61   23   62   HC   C3   HC     90.000
  61   23   63   HC   C3   HC    179.974
  62   23   63   HC   C3   HC     89.994
   9   24   64   C3   C3   HC     89.995
   9   24   65   C3   C3   HC    179.974
   9   24   66   C3   C3   HC     90.002
  64   24   65   HC   C3   HC     90.000
  64   24   66   HC   C3   HC    179.974
  65   24   66   HC   C3   HC     90.003
   2   25   19   O3   C3   C3    120.216
   2   25   27   O3   C3   C3    120.226
   2   25   67   O3   C3   HC     60.113
  19   25   27   C3   C3   C3    119.557
  19   25   67   C3   C3   HC    179.671
  27   25   67   C3   C3   HC     60.113
  11   26   68   C3   C3   HC     89.998
  11   26   69   C3   C3   HC    179.974
  11   26   70   C3   C3   HC     90.002
  68   26   69   HC   C3   HC     90.000
  68   26   70   HC   C3   HC    179.974
  69   26   70   HC   C3   HC     90.000
  21   27   25   C3   C3   C3    119.565
  21   27   71   C3   C3   HC     80.147
  21   27   72   C3   C3   HC    160.282
  25   27   71   C3   C3   HC    160.289
  25   27   72   C3   C3   HC     80.153
  71   27   72   HC   C3   HC     80.135
  19   28   73   C3   C3   HC     89.993
  19   28   74   C3   C3   HC    179.974
  19   28   78   C3   C3   HC     90.003
  73   28   74   HC   C3   HC     89.995
  73   28   78   HC   C3   HC    179.974
  74   28   78   HC   C3   HC     90.008
  19   29   75   C3   C3   HC     89.997
  19   29   76   C3   C3   HC    179.974
  19   29   77   C3   C3   HC     89.999
  75   29   76   HC   C3   HC     89.992
  75   29   77   HC   C3   HC    179.974
  76   29   77   HC   C3   HC     90.013
  20   30   31   C3   C2   C3    120.005
  20   30   32   C3   C2   C2    119.996
  31   30   32   C3   C2   C2    119.999
  30   31   80   C2   C3   HC     90.008
  30   31   81   C2   C3   HC    179.974
  30   31   82   C2   C3   HC     89.998
  80   31   81   HC   C3   HC     89.994
  80   31   82   HC   C3   HC    179.974
  81   31   82   HC   C3   HC     90.000
  30   32   34   C2   C2   C3    120.003
  30   32   83   C2   C2   HC    119.996
  34   32   83   C3   C2   HC    120.001
   2   33    3   O3   C3   O3    119.996
   2   33   35   O3   C3   C3    120.006
   2   33   84   O3   C3   HC     60.002
   3   33   35   O3   C3   C3    119.997
   3   33   84   O3   C3   HC    179.974
  35   33   84   C3   C3   HC     60.004
  32   34   39   C2   C3   C2    120.003
  32   34   85   C2   C3   HC     79.992
  32   34   86   C2   C3   HC    159.994
  39   34   85   C2   C3   HC    160.004
  39   34   86   C2   C3   HC     80.002
  85   34   86   HC   C3   HC     80.002
   4   35   33   O3   C3   C3    119.997
   4   35   36   O3   C3   C3    119.996
   4   35   87   O3   C3   HC     59.999
  33   35   36   C3   C3   C3    120.006
  33   35   87   C3   C3   HC    179.974
  36   35   87   C3   C3   HC     59.998
   5   36   35   O3   C3   C3    120.000
   5   36   38   O3   C3   C3    120.006
   5   36   88   O3   C3   HC     59.998
  35   36   38   C3   C3   C3    119.994
  35   36   88   C3   C3   HC     60.002
  38   36   88   C3   C3   HC    179.974
   3   37   38   O3   C3   C3    119.995
   3   37   40   O3   C3   C3    120.004
   3   37   89   O3   C3   HC     60.003
  38   37   40   C3   C3   C3    120.001
  38   37   89   C3   C3   HC    179.974
  40   37   89   C3   C3   HC     60.001
   6   38   36   O3   C3   C3    119.994
   6   38   37   O3   C3   C3    120.000
   6   38   90   O3   C3   HC     60.002
  36   38   37   C3   C3   C3    120.006
  36   38   90   C3   C3   HC    179.974
  37   38   90   C3   C3   HC     59.998
  34   39   41   C3   C2   C2    119.999
  34   39   91   C3   C2   HC    119.996
  41   39   91   C2   C2   HC    120.005
   7   40   37   O3   C3   C3    120.001
   7   40   93   O3   C3   HC    159.997
   7   40   94   O3   C3   HC     79.998
  37   40   93   C3   C3   HC     80.002
  37   40   94   C3   C3   HC    160.001
  93   40   94   HC   C3   HC     79.999
  39   41   42   C2   C2   C3    119.994
  39   41   43   C2   C2   C3    120.005
  42   41   43   C3   C2   C3    120.002
  41   42  100   C2   C3   HC     89.999
  41   42  101   C2   C3   HC    179.974
  41   42  102   C2   C3   HC     90.008
 100   42  101   HC   C3   HC     89.991
 100   42  102   HC   C3   HC    179.974
 101   42  102   HC   C3   HC     90.002
  41   43   97   C2   C3   HC     90.000
  41   43   98   C2   C3   HC    179.974
  41   43   99   C2   C3   HC     90.003
  97   43   98   HC   C3   HC     89.988
  97   43   99   HC   C3   HC    179.974
  98   43   99   HC   C3   HC     90.009


TORSION ANGLES
  12   16    1   79    179.974
  15   16    1   79      0.026
  51   16    1   79    179.974
  33    2   25   19    179.974
  33    2   25   27      0.026
  33    2   25   67      0.026
   3   33    2   25    179.974
  35   33    2   25      0.026
  84   33    2   25      0.026
  37    3   33    2    179.974
  37    3   33   35      0.026
  37    3   33   84    179.974
  33    3   37   38      0.026
  33    3   37   40    179.974
  33    3   37   89    179.974
  33   35    4   92    179.974
  36   35    4   92      0.026
  87   35    4   92      0.026
  35   36    5   95    179.974
  38   36    5   95      0.026
  88   36    5   95    179.974
  36   38    6   96    179.974
  37   38    6   96      0.026
  90   38    6   96      0.026
 103    7   40   37    179.974
 103    7   40   93      0.026
 103    7   40   94      0.026
  10    8    9   12      0.026
  10    8    9   18    179.974
  10    8    9   24    179.974
  14    8    9   12    179.974
  14    8    9   18      0.026
  14    8    9   24      0.026
  23    8    9   12    179.974
  23    8    9   18      0.026
  23    8    9   24      0.026
   9    8   10   11    179.974
   9    8   10   15      0.026
   9    8   10   44      0.026
  14    8   10   11      0.026
  14    8   10   15    179.974
  14    8   10   44    179.974
  23    8   10   11      0.026
  23    8   10   15    179.974
  23    8   10   44    179.974
   9    8   14   17    179.974
   9    8   14   47      0.026
   9    8   14   48      0.026
  10    8   14   17      0.026
  10    8   14   47    179.974
  10    8   14   48    179.974
  23    8   14   17    179.974
  23    8   14   47      0.026
  23    8   14   48      0.026
   9    8   23   61    179.974
   9    8   23   62      0.026
   9    8   23   63      0.026
  10    8   23   61      0.026
  10    8   23   62    179.974
  10    8   23   63    179.974
  14    8   23   61      0.026
  14    8   23   62    179.974
  14    8   23   63    179.974
   8    9   12   16      0.026
   8    9   12   20    179.974
   8    9   12   45    179.974
  18    9   12   16    179.974
  18    9   12   20      0.026
  18    9   12   45      0.026
  24    9   12   16    179.974
  24    9   12   20      0.026
  24    9   12   45      0.026
   8    9   18   22    179.974
   8    9   18   54      0.026
   8    9   18   55      0.026
  12    9   18   22      0.026
  12    9   18   54    179.974
  12    9   18   55    179.974
  24    9   18   22    179.974
  24    9   18   54      0.026
  24    9   18   55      0.026
   8    9   24   64      0.026
   8    9   24   65      0.026
   8    9   24   66    179.974
  12    9   24   64    179.974
  12    9   24   65    179.974
  12    9   24   66      0.026
  18    9   24   64    179.974
  18    9   24   65    179.974
  18    9   24   66      0.026
   8   10   11   13      0.026
   8   10   11   21    179.974
   8   10   11   26    179.974
  15   10   11   13    179.974
  15   10   11   21      0.026
  15   10   11   26      0.026
  44   10   11   13    179.974
  44   10   11   21      0.026
  44   10   11   26      0.026
   8   10   15   16      0.026
   8   10   15   49    179.974
   8   10   15   50    179.974
  11   10   15   16    179.974
  11   10   15   49      0.026
  11   10   15   50      0.026
  44   10   15   16      0.026
  44   10   15   49    179.974
  44   10   15   50    179.974
  10   11   13   17      0.026
  10   11   13   19    179.974
  10   11   13   46      0.026
  21   11   13   17    179.974
  21   11   13   19      0.026
  21   11   13   46    179.974
  26   11   13   17      0.026
  26   11   13   19    179.974
  26   11   13   46      0.026
  10   11   21   27    179.974
  10   11   21   57      0.026
  10   11   21   58      0.026
  13   11   21   27      0.026
  13   11   21   57    179.974
  13   11   21   58    179.974
  26   11   21   27    179.974
  26   11   21   57      0.026
  26   11   21   58      0.026
  10   11   26   68      0.026
  10   11   26   69      0.026
  10   11   26   70    179.974
  13   11   26   68      0.026
  13   11   26   69      0.026
  13   11   26   70    179.974
  21   11   26   68    179.974
  21   11   26   69    179.974
  21   11   26   70      0.026
   9   12   16    1    179.974
   9   12   16   15      0.026
   9   12   16   51    179.974
  20   12   16    1      0.026
  20   12   16   15    179.974
  20   12   16   51      0.026
  45   12   16    1      0.026
  45   12   16   15    179.974
  45   12   16   51      0.026
   9   12   20   22      0.026
   9   12   20   30    179.974
   9   12   20   56    179.974
  16   12   20   22    179.974
  16   12   20   30      0.026
  16   12   20   56      0.026
  45   12   20   22    179.974
  45   12   20   30      0.026
  45   12   20   56      0.026
  11   13   17   14      0.026
  11   13   17   52    179.974
  11   13   17   53    179.974
  19   13   17   14    179.974
  19   13   17   52      0.026
  19   13   17   53      0.026
  46   13   17   14    179.974
  46   13   17   52      0.026
  46   13   17   53      0.026
  11   13   19   25      0.026
  11   13   19   28    179.974
  11   13   19   29    179.974
  17   13   19   25    179.974
  17   13   19   28      0.026
  17   13   19   29      0.026
  46   13   19   25    179.974
  46   13   19   28      0.026
  46   13   19   29      0.026
   8   14   17   13      0.026
   8   14   17   52    179.974
   8   14   17   53    179.974
  47   14   17   13    179.974
  47   14   17   52      0.026
  47   14   17   53      0.026
  48   14   17   13    179.974
  48   14   17   52      0.026
  48   14   17   53      0.026
  10   15   16    1    179.974
  10   15   16   12      0.026
  10   15   16   51      0.026
  49   15   16    1      0.026
  49   15   16   12    179.974
  49   15   16   51    179.974
  50   15   16    1      0.026
  50   15   16   12    179.974
  50   15   16   51    179.974
   9   18   22   20      0.026
   9   18   22   59    179.974
   9   18   22   60    179.974
  54   18   22   20    179.974
  54   18   22   59      0.026
  54   18   22   60      0.026
  55   18   22   20    179.974
  55   18   22   59      0.026
  55   18   22   60      0.026
  13   19   25    2    179.974
  13   19   25   27      0.026
  13   19   25   67      0.026
  28   19   25    2      0.026
  28   19   25   27    179.974
  28   19   25   67    179.974
  29   19   25    2      0.026
  29   19   25   27    179.974
  29   19   25   67    179.974
  13   19   28   73    179.974
  13   19   28   74    179.974
  13   19   28   78      0.026
  25   19   28   73      0.026
  25   19   28   74      0.026
  25   19   28   78    179.974
  29   19   28   73    179.974
  29   19   28   74    179.974
  29   19   28   78      0.026
  13   19   29   75    179.974
  13   19   29   76    179.974
  13   19   29   77      0.026
  25   19   29   75      0.026
  25   19   29   76      0.026
  25   19   29   77    179.974
  28   19   29   75      0.026
  28   19   29   76      0.026
  28   19   29   77    179.974
  12   20   22   18      0.026
  12   20   22   59    179.974
  12   20   22   60    179.974
  30   20   22   18    179.974
  30   20   22   59      0.026
  30   20   22   60      0.026
  56   20   22   18      0.026
  56   20   22   59    179.974
  56   20   22   60    179.974
  12   20   30   31      0.026
  12   20   30   32    179.974
  22   20   30   31    179.974
  22   20   30   32      0.026
  56   20   30   31      0.026
  56   20   30   32    179.974
  11   21   27   25      0.026
  11   21   27   71    179.974
  11   21   27   72    179.974
  57   21   27   25    179.974
  57   21   27   71      0.026
  57   21   27   72      0.026
  58   21   27   25    179.974
  58   21   27   71      0.026
  58   21   27   72      0.026
   2   25   27   21    179.974
   2   25   27   71      0.026
   2   25   27   72      0.026
  19   25   27   21      0.026
  19   25   27   71    179.974
  19   25   27   72    179.974
  67   25   27   21    179.974
  67   25   27   71      0.026
  67   25   27   72      0.026
  20   30   31   80    179.974
  20   30   31   81      0.026
  20   30   31   82      0.026
  32   30   31   80      0.026
  32   30   31   81    179.974
  32   30   31   82    179.974
  20   30   32   34      0.026
  20   30   32   83    179.974
  31   30   32   34    179.974
  31   30   32   83      0.026
  30   32   34   39    179.974
  30   32   34   85      0.026
  30   32   34   86      0.026
  83   32   34   39      0.026
  83   32   34   85    179.974
  83   32   34   86    179.974
   2   33   35    4      0.026
   2   33   35   36    179.974
   2   33   35   87      0.026
   3   33   35    4    179.974
   3   33   35   36      0.026
   3   33   35   87    179.974
  84   33   35    4      0.026
  84   33   35   36    179.974
  84   33   35   87      0.026
  32   34   39   41    179.974
  32   34   39   91      0.026
  85   34   39   41      0.026
  85   34   39   91    179.974
  86   34   39   41      0.026
  86   34   39   91    179.974
   4   35   36    5      0.026
   4   35   36   38    179.974
   4   35   36   88      0.026
  33   35   36    5    179.974
  33   35   36   38      0.026
  33   35   36   88    179.974
  87   35   36    5      0.026
  87   35   36   38    179.974
  87   35   36   88      0.026
   5   36   38    6      0.026
   5   36   38   37    179.974
   5   36   38   90      0.026
  35   36   38    6    179.974
  35   36   38   37      0.026
  35   36   38   90    179.974
  88   36   38    6    179.974
  88   36   38   37      0.026
  88   36   38   90    179.974
   3   37   38    6    179.974
   3   37   38   36      0.026
   3   37   38   90    179.974
  40   37   38    6      0.026
  40   37   38   36    179.974
  40   37   38   90      0.026
  89   37   38    6    179.974
  89   37   38   36      0.026
  89   37   38   90    179.974
   3   37   40    7      0.026
   3   37   40   93    179.974
   3   37   40   94    179.974
  38   37   40    7    179.974
  38   37   40   93      0.026
  38   37   40   94      0.026
  89   37   40    7      0.026
  89   37   40   93    179.974
  89   37   40   94    179.974
  34   39   41   42    179.974
  34   39   41   43      0.026
  91   39   41   42      0.026
  91   39   41   43    179.974
  39   41   42  100    179.974
  39   41   42  101    179.974
  39   41   42  102      0.026
  43   41   42  100      0.026
  43   41   42  101      0.026
  43   41   42  102    179.974
  39   41   43   97      0.026
  39   41   43   98      0.026
  39   41   43   99    179.974
  42   41   43   97    179.974
  42   41   43   98    179.974
  42   41   43   99      0.026


CHIRAL ATOMS
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026
  42   41   43   99      0.026