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4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide ID: AN-16951
CAS:162408-66-4
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1c(N2CCN(CC2)CCCCNC(=O)c2ccc(cc2)c2ccc(cc2)C(=O)C)cccc1)C	4302960
FORMULA: C30H35N3O3
MASS: 485.6172
EXACT MASS: 485.2678420
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    8.7178     0.0000 
   O   3   15.3948     8.1854     0.0000 
   N   4    3.4641     5.2915    12.1243     0.0000 
   N   5    2.0000     6.9282    14.1067     2.0000     0.0000 
   N   6    7.8102     1.7321     8.0000     4.3589     6.2450     0.0000 
   C   7    2.6457     6.2450    12.7672     1.0001     1.7321     5.1962 
   C   8    3.6056     5.1962    12.5300     1.0000     1.7320     4.5826 
   C   9    1.7320     7.0000    13.7477     1.7321     1.0001     6.0828 
   C  10    3.0000     6.0828    13.5277     1.7320     1.0000     5.5678 
   C  11    4.3589     4.5826    11.1355     1.0000     3.0000     3.4641 
   C  12    5.1962     3.6056    10.5357     1.7320     3.6055     2.6457 
   C  13    1.7321     7.8102    15.0997     3.0000     1.0000     7.2111 
   C  14    6.0828     3.0000     9.5394     2.6457     4.5826     1.7320 
   C  15    6.9282     2.0000     9.0000     3.4641     5.2915     1.0000 
   C  16    1.0000     8.6603    15.7162     3.6056     1.7321     7.9373 
   C  17    2.6458     7.9373    15.5242     3.6055     1.7320     7.5498 
   C  18    1.7320     9.5394    16.7033     4.5826     2.6458     8.8882 
   C  19    3.0000     8.8882    16.5227     4.5826     2.6457     8.5440 
   C  20    2.6458     9.6437    17.0880     5.0000     3.0000     9.1651 
   C  21    8.6603     1.0000     7.5498     5.1962     7.0000     1.0001 
   C  22    1.0000     9.6437    16.0935     4.3589     3.0000     8.6602 
   C  23    9.5394     1.7320     6.5574     6.0828     7.9373     1.7321 
   C  24   10.3923     2.0000     6.2450     6.9282     8.7178     2.6458 
   C  25    9.6437     2.6458     6.0000     6.2450     8.1853     2.0000 
   C  26   11.3578     3.6055     4.5826     7.9373     9.8489     3.6056 
   C  27   11.2694     3.0000     5.2915     7.8102     9.6437     3.4641 
   C  28   10.5830     3.4641     5.0000     7.2111     9.1651     3.0000 
   C  29   12.2882     4.5826     3.6056     8.8882    10.8167     4.5826 
   C  30   13.0767     5.0000     3.4641     9.6437    11.5326     5.2915 
   C  31   12.4900     5.2915     3.0000     9.1651    11.1355     5.0000 
   C  32   14.1775     6.5574     1.7321    10.8167    12.7672     6.5574 
   C  33   14.0000     6.0000     2.6458    10.5830    12.4900     6.2450 
   C  34   13.4536     6.2450     2.0000    10.1489    12.1243     6.0000 
   C  35   15.1328     7.5498     1.0001    11.7898    13.7477     7.5498 
   C  36   15.8745     8.0000     1.7321    12.4900    14.4222     8.1854 
   H  37    3.1512     5.9981    12.2442     1.0813     2.3451     4.8211 
   H  38    2.4059     6.7558    13.0096     1.5968     2.0295     5.6148 
   H  39    4.0024     5.0181    12.6103     1.5968     2.0295     4.6148 
   H  40    4.1713     4.5868    11.9353     1.0813     2.3451     3.9716 
   H  41    2.9562     6.5338    14.0978     2.3451     1.0813     6.1176 
   H  42    3.5889     5.7469    13.3947     2.0295     1.5968     5.3983 
   H  43    1.6279     7.3135    13.7713     2.0295     1.5968     6.2747 
   H  44    1.1266     7.5914    14.3602     2.3451     1.0813     6.7003 
   H  45    4.8281     4.3998    10.5973     1.5967     3.5889     3.1022 
   H  46    4.0506     5.1245    11.3520     1.0812     2.9561     3.8917 
   H  47    4.8211     3.8981    11.1019     1.4156     3.1102     3.1512 
   H  48    5.6149     3.1102    10.3954     2.1829     3.8982     2.4059 
   H  49    6.5338     2.9562     8.9823     3.1512     5.1245     1.4156 
   H  50    5.7469     3.5889     9.7205     2.4059     4.3997     2.1829 
   H  51    6.5470     2.1943     9.5849     3.1022     4.8263     1.5967 
   H  52    7.3422     1.4332     8.9132     3.8917     5.6193     1.0812 
   H  53    3.1408     7.4796    15.1936     3.4849     1.8396     7.1975 
   H  54    1.8397    10.0650    17.0998     5.0104     3.1408     9.3512 
   H  55    3.6200     9.0479    16.8132     5.0104     3.1407     8.8161 
   H  56    7.8743     2.2901     7.7087     4.4726     6.4222     0.6200 
   H  57    3.1408    10.2247    17.7049     5.6200     3.6200     9.7747 
   H  58    1.1766     9.4387    15.6660     4.1517     3.0634     8.3675 
   H  59    1.6199    10.2247    16.5422     4.9340     3.6200     9.2024 
   H  60    1.1766     9.8833    16.5331     4.6403     3.0634     8.9863 
   H  61   10.4108     1.7732     6.7056     6.9559     8.6686     2.8292 
   H  62    9.1698     2.8292     6.3328     5.8142     7.7823     1.7732 
   H  63   11.7968     3.3533     5.2100     8.3333    10.1333     4.0130 
   H  64   10.7175     4.0130     4.7206     7.4070     9.3864     3.3533 
   H  65   13.0202     4.7206     4.0130     9.5668    11.4142     5.2100 
   H  66   12.0509     5.2100     3.3533     8.7718    10.7566     4.7206 
   H  67   14.4922     6.3328     2.8292    11.0591    12.9439     6.7056 
   H  68   13.6281     6.7056     1.7732    10.3790    12.3679     6.3328 
   H  69   15.4758     7.4695     2.1115    12.0684    13.9821     7.7374 
   H  70   16.3482     8.3273     2.2901    12.9439    14.8588     8.6142 
   H  71   16.2871     8.5425     1.5201    12.9276    14.8751     8.6545 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7321     0.0000 
   C  11    1.7321     1.7320     2.6458     2.6457     0.0000 
   C  12    2.6458     2.0000     3.4641     3.0000     1.0000     0.0000 
   C  13    2.6458     2.6457     1.7321     1.7320     4.0000     4.5826 
   C  14    3.4641     3.0000     4.3589     4.0000     1.7320     1.0000 
   C  15    4.3589     3.6055     5.1962     4.5826     2.6457     1.7320 
   C  16    3.0000     3.4641     2.0000     2.6458     4.5826     5.2915 
   C  17    3.4641     3.0000     2.6458     2.0000     4.5826     5.0000 
   C  18    4.0000     4.3589     3.0000     3.4641     5.5678     6.2450 
   C  19    4.3589     4.0000     3.4641     3.0000     5.5678     6.0000 
   C  20    4.5826     4.5826     3.6056     3.6055     6.0000     6.5574 
   C  21    6.0828     5.2915     6.9283     6.2450     4.3589     3.4641 
   C  22    3.4641     4.5826     2.6457     4.0000     5.1962     6.0828 
   C  23    6.9283     6.2450     7.8103     7.2111     5.1962     4.3589 
   C  24    7.8103     7.0000     8.6603     7.9373     6.0828     5.1962 
   C  25    7.0000     6.5574     7.9373     7.5498     5.2915     4.5826 
   C  26    8.7178     8.1854     9.6437     9.1652     7.0000     6.2450 
   C  27    8.6603     7.9373     9.5394     8.8882     6.9282     6.0828 
   C  28    7.9373     7.5498     8.8882     8.5440     6.2450     5.5678 
   C  29    9.6437     9.1652    10.5830    10.1489     7.9373     7.2111 
   C  30   10.4403     9.8489    11.3578    10.8167     8.7178     7.9373 
   C  31    9.8489     9.5394    10.8167    10.5357     8.1853     7.5498 
   C  32   11.5326    11.1355    12.4900    12.1244     9.8489     9.1652 
   C  33   11.3578    10.8167    12.2882    11.7898     9.6437     8.8882 
   C  34   10.8167    10.5357    11.7898    11.5326     9.1651     8.5440 
   C  35   12.4900    12.1244    13.4536    13.1149    10.8167    10.1489 
   C  36   13.2288    12.7672    14.1775    13.7477    11.5326    10.8167 
   H  37    0.6200     2.0295     1.5967     2.5068     1.4156     2.4059 
   H  38    0.6199     2.3451     1.0812     2.5068     2.1829     3.1512 
   H  39    2.3452     0.6200     2.5069     1.0812     2.1829     2.1944 
   H  40    2.0296     0.6200     2.5069     1.5967     1.4156     1.4332 
   H  41    2.5069     1.5967     2.0296     0.6200     3.2657     3.5889 
   H  42    2.5069     1.0812     2.3452     0.6200     2.8113     2.9561 
   H  43    1.0812     2.5068     0.6199     2.3451     2.8113     3.7220 
   H  44    1.5967     2.5068     0.6200     2.0295     3.2657     4.0761 
   H  45    2.1829     2.3451     3.1512     3.2657     0.6200     1.0813 
   H  46    1.4155     2.0295     2.4059     2.8113     0.6200     1.5968 
   H  47    2.4060     1.4332     3.1022     2.4267     1.0813     0.6200 
   H  48    3.1513     2.1944     3.8918     3.1671     1.5968     0.6200 
   H  49    3.8917     3.5889     4.8281     4.5875     2.1828     1.5967 
   H  50    3.1021     2.9561     4.0506     3.9399     1.4155     1.0812 
   H  51    4.0507     3.1102     4.8211     4.0630     2.4059     1.4156 
   H  52    4.8282     3.8982     5.6149     4.8385     3.1512     2.1829 
   H  53    3.5192     2.7431     2.8292     1.7732     4.4186     4.7206 
   H  54    4.3433     4.8708     3.3533     4.0130     5.9770     6.7056 
   H  55    4.8708     4.3433     4.0130     3.3533     5.9770     6.3328 
   H  56    5.2330     4.8212     6.1648     5.8193     3.5191     2.8292 
   H  57    5.1927     5.1927     4.2101     4.2100     6.6200     7.1725 
   H  58    3.1995     4.5067     2.5121     4.0478     4.9156     5.8449 
   H  59    4.0130     5.1927     3.2379     4.6200     5.7415     6.6486 
   H  60    3.8121     4.7390     2.9083     4.0477     5.5322     6.3723 
   H  61    7.8743     6.9386     8.6824     7.8437     6.1647     5.2330 
   H  62    6.5242     6.1987     7.4796     7.1975     4.8399     4.2029 
   H  63    9.2024     8.4157    10.0650     9.3512     7.4716     6.6018 
   H  64    8.0774     7.8169     9.0479     8.8161     6.4222     5.8193 
   H  65   10.3993     9.7100    11.2927    10.6613     8.6686     7.8437 
   H  66    9.4183     9.1959    10.3964    10.1953     7.7823     7.1975 
   H  67   11.8552    11.2554    12.7736    12.2190    10.1333     9.3512 
   H  68   11.0048    10.8150    11.9885    11.8146     9.3864     8.8161 
   H  69   12.8315    12.3115    13.7686    13.2853    11.1230    10.3788 
   H  70   13.7035    13.1880    14.6426    14.1614    11.9968    11.2554 
   H  71   13.6427    13.2362    14.6013    14.2222    11.9603    11.2716 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.5678     0.0000 
   C  15    6.2450     1.0000     0.0000 
   C  16    1.0001     6.2450     7.0000     0.0000 
   C  17    1.0000     6.0000     6.5574     1.7321     0.0000 
   C  18    1.7321     7.2111     7.9373     1.0000     2.0000     0.0000 
   C  19    1.7320     7.0000     7.5498     2.0000     1.0000     1.7321 
   C  20    2.0000     7.5498     8.1853     1.7321     1.7320     1.0001 
   C  21    7.9373     2.6458     1.7321     8.7178     8.1854     9.6437 
   C  22    2.6458     6.9282     7.8102     1.7320     3.4641     2.0000 
   C  23    8.8882     3.4641     2.6458     9.6437     9.1652    10.5830 
   C  24    9.6437     4.3589     3.4641    10.4403     9.8489    11.3578 
   C  25    9.1651     3.6055     3.0000     9.8489     9.5394    10.8167 
   C  26   10.8167     5.2915     4.5826    11.5326    11.1355    12.4900 
   C  27   10.5830     5.1962     4.3589    11.3578    10.8167    12.2882 
   C  28   10.1489     4.5826     4.0000    10.8167    10.5357    11.7898 
   C  29   11.7898     6.2450     5.5678    12.4900    12.1244    13.4536 
   C  30   12.4900     7.0000     6.2450    13.2288    12.7672    14.1775 
   C  31   12.1243     6.5574     6.0000    12.7672    12.5300    13.7477 
   C  32   13.7477     8.1854     7.5498    14.4222    14.1067    15.3948 
   C  33   13.4536     7.9373     7.2111    14.1775    13.7477    15.1328 
   C  34   13.1149     7.5498     7.0000    13.7477    13.5277    14.7309 
   C  35   14.7309     9.1652     8.5440    15.3948    15.0997    16.3707 
   C  36   15.3948     9.8489     9.1652    16.0935    15.7162    17.0587 
   H  37    3.2657     3.1022     4.0507     3.5889     4.0761     4.5875 
   H  38    2.8113     3.8917     4.8281     2.9560     3.7220     3.9399 
   H  39    2.8113     3.1671     3.6167     3.7220     2.9561     4.5429 
   H  40    3.2657     2.4267     2.9898     4.0761     3.5889     4.9780 
   H  41    1.4156     4.5875     5.1245     2.4060     1.4332     3.1022 
   H  42    2.1829     3.9399     4.3997     3.1513     2.1944     3.8918 
   H  43    2.1829     4.5429     5.4394     2.1943     3.1512     3.1671 
   H  44    1.4156     4.9779     5.8077     1.4332     2.4059     2.4267 
   H  45    4.5875     1.4156     2.4059     5.1245     5.1957     6.1177 
   H  46    3.9399     2.1829     3.1512     4.3997     4.6339     5.3983 
   H  47    4.0630     1.5967     2.1828     4.8263     4.4225     5.7557 
   H  48    4.8385     1.0812     1.4155     5.6193     5.1441     6.5416 
   H  49    6.1176     0.6200     1.0813     6.7558     6.5860     7.7334 
   H  50    5.3983     0.6200     1.5968     5.9981     5.9239     6.9829 
   H  51    5.7557     1.0813     0.6200     6.5508     6.0148     7.4664 
   H  52    6.5415     1.5968     0.6200     7.3456     6.7707     8.2567 
   H  53    1.4157     5.7153     6.1987     2.2901     0.6200     2.6200 
   H  54    2.2901     7.6540     8.4157     1.4158     2.6200     0.6200 
   H  55    2.2900     7.3297     7.8169     2.6200     1.4158     2.2901 
   H  56    7.4070     1.8397     1.4158     8.0774     7.8169     9.0479 
   H  57    2.6200     8.1660     8.7923     2.2901     2.2901     1.4158 
   H  58    2.9083     6.6400     7.5557     2.1114     3.8121     2.5557 
   H  59    3.2380     7.4716     8.3704     2.2900     4.0130     2.3715 
   H  60    2.5121     7.2581     8.1043     1.5200     3.1995     1.4955 
   H  61    9.5668     4.4726     3.5192    10.3993     9.7100    11.2927 
   H  62    8.7718     3.2069     2.7431     9.4183     9.1959    10.3964 
   H  63   11.0591     5.7415     4.8708    11.8552    11.2554    12.7736 
   H  64   10.3790     4.8212     4.3433    11.0048    10.8150    11.9885 
   H  65   12.3557     6.9386     6.1257    13.1257    12.5867    14.0593 
   H  66   11.7509     6.1987     5.7153    12.3630    12.1944    13.3501 
   H  67   13.8983     8.4157     7.6540    14.6426    14.1614    15.5893 
   H  68   13.3635     7.8169     7.3297    13.9630    13.8139    14.9527 
   H  69   14.9474     9.4231     8.7060    15.6661    15.2431    16.6238 
   H  70   15.8242    10.2988     9.5825    16.5422    16.1178    17.5004 
   H  71   15.8538    10.2944     9.6423    16.5331    16.1993    17.5048 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0000     0.0000 
   C  21    9.1652     9.8489     0.0000 
   C  22    3.6055     3.0000     9.5394     0.0000 
   C  23   10.1489    10.8167     1.0000    10.3923     0.0000 
   C  24   10.8167    11.5326     1.7320    11.2694     1.0000     0.0000 
   C  25   10.5357    11.1355     1.7321    10.4403     1.0001     1.7321 
   C  26   12.1244    12.7672     3.0000    12.1655     2.0000     1.7320 
   C  27   11.7898    12.4900     2.6457    12.1244     1.7320     1.0000 
   C  28   11.5326    12.1243     2.6458    11.3578     1.7321     2.0000 
   C  29   13.1149    13.7477     4.0000    13.0767     3.0000     2.6457 
   C  30   13.7477    14.4222     4.5826    13.8925     3.6055     3.0000 
   C  31   13.5277    14.1067     4.5826    13.2287     3.6056     3.4641 
   C  32   15.0997    15.7162     6.0000    14.9332     5.0000     4.5826 
   C  33   14.7309    15.3948     5.5678    14.7987     4.5826     4.0000 
   C  34   14.5258    15.0997     5.5678    14.1774     4.5826     4.3589 
   C  35   16.0935    16.7033     7.0000    15.8745     6.0000     5.5678 
   C  36   16.7033    17.3494     7.5498    16.6433     6.5574     6.0000 
   H  37    4.9779     5.1957     5.7470     3.8917     6.5470     7.4597 
   H  38    4.5429     4.6339     6.5339     3.1021     7.3422     8.2506 
   H  39    3.9399     4.6339     5.2294     4.9969     6.2098     6.9001 
   H  40    4.5875     5.1957     4.6716     5.1332     5.6266     6.3803 
   H  41    2.4267     3.1102     6.7558     3.9400     7.7334     8.4274 
   H  42    3.1671     3.8982     5.9981     4.5875     6.9829     7.6548 
   H  43    3.8917     3.8982     7.1640     2.3875     8.0067     8.8914 
   H  44    3.1022     3.1102     7.5396     2.0783     8.4268     9.2715 
   H  45    6.1774     6.5860     4.0507     5.6148     4.8211     5.7470 
   H  46    5.5908     5.9239     4.8282     4.8210     5.6149     6.5339 
   H  47    5.4216     6.0148     3.8917     5.7470     4.8281     5.6148 
   H  48    6.1381     6.7707     3.1021     6.5339     4.0506     4.8210 
   H  49    7.5856     8.1090     2.4060     7.3421     3.1022     4.0507 
   H  50    6.9193     7.3967     3.1513     6.5469     3.8918     4.8282 
   H  51    7.0009     7.6679     2.1829     7.4597     3.1512     3.8917 
   H  52    7.7497     8.4393     1.4155     8.2506     2.4059     3.1021 
   H  53    1.4158     2.2900     7.7823     4.0130     8.7718     9.4183 
   H  54    2.2901     1.4158    10.1334     1.7732    11.0592    11.8552 
   H  55    0.6200     1.4157     9.3864     4.2100    10.3790    11.0048 
   H  56    8.8161     9.3864     1.4158     8.6824     1.8397     2.8292 
   H  57    1.4158     0.6200    10.4482     3.3533    11.4195    12.1254 
   H  58    4.0750     3.5505     9.2745     0.6200    10.0966    10.9974 
   H  59    4.0601     3.3533    10.0958     0.6200    10.9336    11.8230 
   H  60    3.1879     2.4825     9.8363     0.6200    10.7158    11.5684 
   H  61   10.6613    11.4142     1.8396    11.3139     1.4157     0.6200 
   H  62   10.1953    10.7566     1.8397     9.9421     1.4158     2.2901 
   H  63   12.2190    12.9439     3.1407    12.6651     2.2900     1.4158 
   H  64   11.8146    12.3679     3.1408    11.4562     2.2901     2.6200 
   H  65   13.5574    14.2627     4.4186    13.8616     3.4849     2.7431 
   H  66   13.1941    13.7421     4.4187    12.7665     3.4849     3.5192 
   H  67   15.1382    15.8242     5.9770    15.3057     5.0104     4.3433 
   H  68   14.8137    15.3566     5.9770    14.3215     5.0104     4.8708 
   H  69   16.2258    16.8902     7.0617    16.2634     6.0780     5.4719 
   H  70   17.0998    17.7664     7.9350    17.1320     6.9530     6.3328 
   H  71   17.1899    17.8183     8.0561    17.0373     7.0588     6.5442 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.7321     0.0000 
   C  27    2.0000     1.0000     0.0000 
   C  28    1.0000     1.0001     1.7321     0.0000 
   C  29    2.6458     1.0000     1.7320     1.7321     0.0000 
   C  30    3.4641     1.7320     2.0000     2.6458     1.0000     0.0000 
   C  31    3.0000     1.7321     2.6458     2.0000     1.0001     1.7321 
   C  32    4.5826     3.0000     3.6055     3.6056     2.0000     1.7320 
   C  33    4.3589     2.6457     3.0000     3.4641     1.7320     1.0000 
   C  34    4.0000     2.6458     3.4641     3.0000     1.7321     2.0000 
   C  35    5.5678     4.0000     4.5826     4.5826     3.0000     2.6457 
   C  36    6.2450     4.5826     5.0000     5.2915     3.6055     3.0000 
   H  37    6.5507     8.2784     8.2754     7.4664     9.1852    10.0076 
   H  38    7.3455     9.0740     9.0713     8.2566     9.9776    10.8036 
   H  39    6.6126     8.1849     7.8630     7.6120     9.1765     9.8111 
   H  40    5.9534     7.5715     7.3173     6.9482     8.5535     9.2311 
   H  41    8.1090     9.7024     9.3908     9.1061    10.6912    11.3365 
   H  42    7.3967     8.9627     8.6244     8.3962     9.9557    10.5806 
   H  43    8.0586     9.7814     9.7386     8.9848    10.6986    11.5070 
   H  44    8.5572    10.2636    10.1551     9.5074    11.2029    11.9773 
   H  45    4.8263     6.5508     6.5470     5.7557     7.4664     8.2784 
   H  46    5.6193     7.3456     7.3422     6.5415     8.2567     9.0740 
   H  47    5.1245     6.7558     6.5338     6.1176     7.7334     8.4274 
   H  48    4.3997     5.9981     5.7469     5.3983     6.9829     7.6548 
   H  49    3.1102     4.8263     4.8211     4.0630     5.7557     6.5508 
   H  50    3.8982     5.6193     5.6149     4.8385     6.5416     7.3456 
   H  51    3.5889     5.1245     4.8281     4.5875     6.1177     6.7558 
   H  52    2.9561     4.3997     4.0506     3.9399     5.3983     5.9981 
   H  53    9.1959    10.7566    10.3964    10.1953    11.7509    12.3630 
   H  54   11.2554    12.9439    12.7736    12.2190    13.8984    14.6426 
   H  55   10.8150    12.3679    11.9885    11.8146    13.3636    13.9630 
   H  56    1.7732     3.4849     3.5192     2.7431     4.4187     5.2100 
   H  57   11.7484    13.3748    13.0868    12.7383    14.3570    15.0248 
   H  58   10.0930    11.8235    11.8266    10.9906    12.7170    13.5544 
   H  59   10.9510    12.6801    12.6651    11.8551    13.5796    14.4099 
   H  60   10.8121    12.5290    12.4459    11.7462    13.4554    14.2495 
   H  61    2.2901     2.2900     1.4158     2.6200     3.1407     3.3533 
   H  62    0.6200     2.2901     2.6200     1.4158     3.1408     4.0130 
   H  63    2.6200     1.4157     0.6200     2.2901     1.8396     1.7732 
   H  64    1.4158     1.4158     2.2901     0.6200     1.8397     2.8292 
   H  65    3.5192     1.8396     1.7732     2.8292     1.4157     0.6200 
   H  66    2.7431     1.8397     2.8292     1.7732     1.4158     2.2901 
   H  67    4.8708     3.1407     3.3533     4.0130     2.2900     1.4158 
   H  68    4.3433     3.1408     4.0130     3.3533     2.2901     2.6200 
   H  69    5.8323     4.1339     4.4739     4.9081     3.1879     2.4825 
   H  70    6.7056     5.0104     5.3371     5.7745     4.0601     3.3533 
   H  71    6.6898     5.0675     5.5456     5.7166     4.0750     3.5505 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.7321     0.0000 
   C  33    2.0000     1.0000     0.0000 
   C  34    1.0000     1.0001     1.7321     0.0000 
   C  35    2.6458     1.0000     1.7320     1.7321     0.0000 
   C  36    3.4641     1.7320     2.0000     2.6458     1.0000     0.0000 
   H  37    9.3497    11.0470    10.9081    10.3078    11.9946    12.7537 
   H  38   10.1293    11.8315    11.7019    11.0823    12.7750    13.5412 
   H  39    9.6111    11.1642    10.7923    10.6108    12.1595    12.7634 
   H  40    8.9413    10.5277    10.2004     9.9389    11.5181    12.1539 
   H  41   11.1019    12.6741    12.3159    12.1003    13.6674    14.2833 
   H  42   10.3954    11.9451    11.5644    11.3952    12.9410    13.5390 
   H  43   10.8764    12.5710    12.4175    11.8355    13.5209    14.2746 
   H  44   11.4333    13.1086    12.9082    12.4051    14.0713    14.7970 
   H  45    7.6679     9.3497     9.1852     8.6390    10.3079    11.0470 
   H  46    8.4393    10.1293     9.9776     9.4041    11.0824    11.8315 
   H  47    8.1090     9.7024     9.3908     9.1061    10.6912    11.3365 
   H  48    7.3967     8.9627     8.6244     8.3962     9.9557    10.5806 
   H  49    6.0148     7.6680     7.4664     7.0009     8.6390     9.3497 
   H  50    6.7707     8.4394     8.2567     7.7497     9.4042    10.1293 
   H  51    6.5860     8.1090     7.7334     7.5856     9.1061     9.7024 
   H  52    5.9239     7.3967     6.9829     6.9193     8.3962     8.9627 
   H  53   12.1944    13.7421    13.3501    13.1941    14.7385    15.3292 
   H  54   14.1614    15.8242    15.5893    15.1382    16.7936    17.5004 
   H  55   13.8139    15.3566    14.9527    14.8137    16.3537    16.9359 
   H  56    4.7206     6.3470     6.1257     5.7153     7.3256     8.0178 
   H  57   14.7222    16.3280    15.9995    15.7157    17.3160    17.9573 
   H  58   12.8315    14.5456    14.4446    13.7685    15.4758    16.2634 
   H  59   13.7034    15.4157    15.3057    14.6425    16.3482    17.1320 
   H  60   13.6427    15.3361    15.1698    14.6012    16.2871    17.0373 
   H  61    4.0130     5.0104     4.3433     4.8708     5.9770     6.3328 
   H  62    3.3533     5.0104     4.8708     4.3433     5.9770     6.7056 
   H  63    2.8292     3.4849     2.7431     3.5192     4.4186     4.7206 
   H  64    1.7732     3.4849     3.5192     2.7431     4.4187     5.2100 
   H  65    2.2901     2.2900     1.4158     2.6200     3.1407     3.3533 
   H  66    0.6200     2.2901     2.6200     1.4158     3.1408     4.0130 
   H  67    2.6200     1.4157     0.6200     2.2901     1.8396     1.7732 
   H  68    1.4158     1.4158     2.2901     0.6200     1.8397     2.8292 
   H  69    3.1995     1.5200     1.4956     2.5121     1.1766     0.6200 
   H  70    4.0130     2.2900     2.3716     3.2380     1.6199     0.6200 
   H  71    3.8121     2.1114     2.5558     2.9083     1.1766     0.6200 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7971     0.0000 
   H  39    2.6463     2.9532     0.0000 
   H  40    2.1562     2.6463     0.7971     0.0000 
   H  41    3.0557     2.9499     1.5278     2.1652     0.0000 
   H  42    2.9499     3.0556     0.7846     1.5278     0.7971     0.0000 
   H  43    1.5278     0.7846     3.0556     2.9499     2.6463     2.9532 
   H  44    2.1652     1.5278     2.9499     3.0557     2.1562     2.6463 
   H  45    1.7320     2.5291     2.7657     1.9785     3.8857     3.4208 
   H  46    0.9350     1.7320     2.5703     1.8728     3.4208     3.0945 
   H  47    2.3122     2.9753     1.5763     0.8348     3.0000     2.3438 
   H  48    2.9753     3.6918     2.2154     1.5763     3.7118     3.0000 
   H  49    3.4641     4.2611     3.7809     3.0298     5.1826     4.5499 
   H  50    2.6670     3.4641     3.2390     2.4518     4.5499     3.9767 
   H  51    3.8190     4.5664     3.0610     2.4902     4.5826     3.8383 
   H  52    4.5664     5.3283     3.8150     3.2787     5.3421     4.5826 
   H  53    4.1067     3.8678     2.5834     3.2887     1.1540     1.7992 
   H  54    4.9034     4.2029     5.0943     5.4857     3.6871     4.4691 
   H  55    5.4857     5.0942     4.2029     4.9034     2.7467     3.4185 
   H  56    4.7998     5.5966     4.9258     4.2290     6.3937     5.7092 
   H  57    5.8036     5.2253     5.2253     5.8036     3.6980     4.4781 
   H  58    3.5532     2.7563     4.9773     5.0166     4.0823     4.6576 
   H  59    4.4026     3.6062     5.6144     5.7361     4.5535     5.2069 
   H  60    4.2935     3.5239     5.0924     5.3199     3.8924     4.6007 
   H  61    7.5657     8.3466     6.7848     6.3235     8.3040     7.5187 
   H  62    6.0507     6.8410     6.3040     5.6086     7.7735     7.0879 
   H  63    8.8336     9.6278     8.3104     7.7961     9.8369     9.0610 
   H  64    7.5765     8.3563     7.9227     7.2283     9.3933     8.7069 
   H  65    9.9942    10.7913     9.6343     9.0901    11.1621    10.3935 
   H  66    8.9025     9.6739     9.3020     8.6082    10.7732    10.0862 
   H  67   11.4191    12.2148    11.2057    10.6369    12.7326    11.9715 
   H  68   10.4770    11.2398    10.9213    10.2281    12.3932    11.7057 
   H  69   12.3717    13.1634    12.2875    11.6955    13.8114    13.0591 
   H  70   13.2403    14.0311    13.1621    12.5719    14.6864    13.9329 
   H  71   13.1537    13.9364    13.2512    12.6261    14.7662    14.0298 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7971     0.0000 
   H  45    3.2325     3.7661     0.0000 
   H  46    2.4432     3.0114     0.7971     0.0000 
   H  47    3.4440     3.6945     1.4516     1.6889     0.0000 
   H  48    4.2097     4.4883     1.6889     2.2064     0.7971     0.0000 
   H  49    4.9562     5.4479     1.7320     2.5291     2.2064     1.6888 
   H  50    4.1621     4.6694     0.9350     1.7320     1.6888     1.4515 
   H  51    5.1201     5.4207     2.3122     2.9753     1.7320     0.9350 
   H  52    5.9022     6.2161     2.9753     3.6918     2.5291     1.7320 
   H  53    3.3946     2.7169     5.0384     4.5519     4.1202     4.7983 
   H  54    3.4185     2.7467     6.5026     5.7571     6.2417     7.0341 
   H  55    4.4690     3.6870     6.5934     6.0473     5.7366     6.4181 
   H  56    6.2972     6.7847     3.0690     3.8654     3.3946     2.7169 
   H  57    4.4781     3.6980     7.2057     6.5409     6.6257     7.3770 
   H  58    2.1252     2.0308     5.2851     4.4881     5.5631     6.3339 
   H  59    2.9318     2.6860     6.1338     5.3371     6.3323     7.1147 
   H  60    2.7663     2.2986     5.9907     5.2068     5.9897     6.7849 
   H  61    8.9534     9.2850     5.8840     6.6547     5.5965     4.7998 
   H  62    7.5695     8.0982     4.3418     5.1263     4.7740     4.0920 
   H  63   10.2827    10.6779     7.1101     7.9028     7.0291     6.2361 
   H  64    9.1032     9.6638     5.8977     6.6669     6.3937     5.7092 
   H  65   11.4742    11.9099     8.2623     9.0593     8.3040     7.5187 
   H  66   10.4303    11.0098     7.2454     8.0040     7.7735     7.0879 
   H  67   12.9208    13.3931     9.6911    10.4862     9.8369     9.0610 
   H  68   12.0034    12.5994     8.8401     9.5892     9.3933     8.7069 
   H  69   13.8864    14.3885    10.6543    11.4441    10.8849    10.1197 
   H  70   14.7566    15.2625    11.5251    12.3138    11.7616    10.9960 
   H  71   14.6788    15.2198    11.4598    12.2380    11.8035    11.0572 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7971     0.0000 
   H  51    1.4516     1.6889     0.0000 
   H  52    1.6889     2.2064     0.7971     0.0000 
   H  53    6.3172     5.6990     5.6335     6.3674     0.0000 
   H  54    8.1562     7.3908     7.9648     8.7590     3.2400     0.0000 
   H  55    7.9281     7.2931     7.2476     7.9733     1.6200     2.8059 
   H  56    1.3414     2.1356     2.0354     1.6620     7.5029     9.4829 
   H  57    8.7271     8.0164     8.2692     9.0366     2.8059     1.6200 
   H  58    7.0170     6.2200     7.2452     8.0265     4.3170     2.3825 
   H  59    7.8653     7.0685     8.0360     8.8238     4.5801     2.0000 
   H  60    7.7034     6.9140     7.7181     8.5140     3.7869     1.1752 
   H  61    4.2428     4.9904     3.8653     3.0690     9.2523    11.8090 
   H  62    2.6630     3.4290     3.3572     2.8258     8.8824    10.8167 
   H  63    5.3920     6.1817     5.3074     4.5177    10.8167    13.2702 
   H  64    4.2619     5.0067     4.9496     4.3562    10.5021    12.3953 
   H  65    6.5304     7.3274     6.6012     5.8234    12.1608    14.5414 
   H  66    5.6335     6.3674     6.3172     5.6990    11.8818    13.7477 
   H  67    7.9648     8.7590     8.1562     7.3908    13.7477    16.0567 
   H  68    7.2476     7.9733     7.9281     7.2931    13.5016    15.3416 
   H  69    8.9425     9.7294     9.2290     8.4771    14.8437    17.0768 
   H  70    9.8157    10.6014    10.1042     9.3505    15.7162    17.9526 
   H  71    9.7793    10.5506    10.1916     9.4641    15.8241    17.9355 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    9.1224     0.0000 
   H  57    1.6199    10.0017     0.0000 
   H  58    4.6900     8.3507     3.9391     0.0000 
   H  59    4.6468     9.2024     3.6200     0.8768     0.0000 
   H  60    3.7711     9.0445     2.7824     1.2399     0.8768     0.0000 
   H  61   10.8167     3.1269    11.9968    11.0730    11.8816    11.5830 
   H  62   10.5021     1.3800    11.3730     9.5767    10.4403    10.3318 
   H  63   12.3953     4.1077    13.5349    12.3803    13.2128    12.9732 
   H  64   12.1218     3.0000    12.9851    11.0622    11.9333    11.8695 
   H  65   13.7477     5.2017    14.8588    13.5473    14.3935    14.1960 
   H  66   13.5016     4.3800    14.3598    12.3544    13.2287    13.1949 
   H  67   15.3416     6.6237    16.4248    14.9637    15.8208    15.6648 
   H  68   15.1214     6.0000    15.9748    13.8929    14.7690    14.7637 
   H  69   16.4449     7.6038    17.4950    15.8986    16.7632    16.6433 
   H  70   17.3160     8.4778    18.3710    16.7632    17.6289    17.5150 
   H  71   17.4351     8.4569    18.4288    16.6433    17.5150    17.4444 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    2.8059     0.0000 
   H  63    1.6200     3.2400     0.0000 
   H  64    3.2400     1.6200     2.8059     0.0000 
   H  65    3.0000     4.1077     1.3800     3.1269     0.0000 
   H  66    4.1077     3.0000     3.1269     1.3800     2.8059     0.0000 
   H  67    4.6200     5.4053     3.0000     4.1077     1.6200     3.2400 
   H  68    5.4053     4.6200     4.1077     3.0000     3.2400     1.6200 
   H  69    5.7776     6.3230     4.1593     4.8887     2.7824     3.7870 
   H  70    6.6200     7.1901     5.0000     5.7335     3.6200     4.5801 
   H  71    6.8991     7.1216     5.2951     5.5819     3.9390     4.3170 

              H  67      H  68      H  69      H  70      H  71
              -------------------------------------------------------
   H  67    0.0000 
   H  68    2.8059     0.0000 
   H  69    1.1752     2.8250     0.0000 
   H  70    2.0000     3.4457     0.8768     0.0000 
   H  71    2.3825     2.9659     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4932600347
   O   2   -0.2702010446
   O   3   -0.2923558534
   N   4   -0.2993564517
   N   5   -0.3246469180
   N   6   -0.3113406726
   C   7    0.0146773844
   C   8    0.0146773844
   C   9    0.0250946515
   C  10    0.0250946515
   C  11   -0.0009509538
   C  12   -0.0387891789
   C  13    0.0720146844
   C  14   -0.0362235781
   C  15    0.0119377298
   C  16    0.1410069213
   C  17   -0.0370804009
   C  18   -0.0181059966
   C  19   -0.0597834693
   C  20   -0.0581871012
   C  21    0.2440767686
   C  22    0.0788753617
   C  23    0.0367294742
   C  24   -0.0490608561
   C  25   -0.0490608561
   C  26   -0.0178434529
   C  27   -0.0533159312
   C  28   -0.0533159312
   C  29   -0.0178447834
   C  30   -0.0533690252
   C  31   -0.0533690252
   C  32    0.0171467059
   C  33   -0.0507012757
   C  34   -0.0507012757
   C  35    0.1601133432
   C  36   -0.0014099958
   H  37    0.0441882468
   H  38    0.0441882468
   H  39    0.0441882468
   H  40    0.0441882468
   H  41    0.0476216091
   H  42    0.0476216091
   H  43    0.0476216091
   H  44    0.0476216091
   H  45    0.0426505947
   H  46    0.0426505947
   H  47    0.0278045246
   H  48    0.0278045246
   H  49    0.0280674470
   H  50    0.0280674470
   H  51    0.0461968600
   H  52    0.0461968600
   H  53    0.0637177053
   H  54    0.0654616035
   H  55    0.0618180683
   H  56    0.1490018759
   H  57    0.0618722659
   H  58    0.0659943161
   H  59    0.0659943161
   H  60    0.0659943161
   H  61    0.0625211288
   H  62    0.0625211288
   H  63    0.0623814051
   H  64    0.0623814051
   H  65    0.0623807443
   H  66    0.0623807443
   H  67    0.0624675697
   H  68    0.0624675697
   H  69    0.0309315209
   H  70    0.0309315209
   H  71    0.0309315209


BOND ANGLES
  16    1   22  Car   O3   C3    119.999
   7    4    8   C3   N3   C3    120.001
   7    4   11   C3   N3   C3    119.998
   8    4   11   C3   N3   C3    120.001
   9    5   10   C3  Npl   C3    120.001
   9    5   13   C3  Npl  Car    119.998
  10    5   13   C3  Npl  Car    120.001
  15    6   21   C3  Nam   C2    119.998
  15    6   56   C3  Nam   HC    120.002
  21    6   56   C2  Nam   HC    120.000
   4    7    9   N3   C3   C3    119.998
   4    7   37   N3   C3   HC     79.998
   4    7   38   N3   C3   HC    160.007
   9    7   37   C3   C3   HC    160.004
   9    7   38   C3   C3   HC     79.995
  37    7   38   HC   C3   HC     80.009
   4    8   10   N3   C3   C3    120.001
   4    8   39   N3   C3   HC    160.002
   4    8   40   N3   C3   HC     80.004
  10    8   39   C3   C3   HC     79.997
  10    8   40   C3   C3   HC    159.996
  39    8   40   HC   C3   HC     79.999
   5    9    7  Npl   C3   C3    119.998
   5    9   43  Npl   C3   HC    160.007
   5    9   44  Npl   C3   HC     79.998
   7    9   43   C3   C3   HC     79.995
   7    9   44   C3   C3   HC    160.004
  43    9   44   HC   C3   HC     80.009
   5   10    8  Npl   C3   C3    120.001
   5   10   41  Npl   C3   HC     80.004
   5   10   42  Npl   C3   HC    160.002
   8   10   41   C3   C3   HC    159.996
   8   10   42   C3   C3   HC     79.997
  41   10   42   HC   C3   HC     79.999
   4   11   12   N3   C3   C3    120.001
   4   11   45   N3   C3   HC    159.996
   4   11   46   N3   C3   HC     79.997
  12   11   45   C3   C3   HC     80.004
  12   11   46   C3   C3   HC    160.002
  45   11   46   HC   C3   HC     79.999
  11   12   14   C3   C3   C3    120.001
  11   12   47   C3   C3   HC     80.004
  11   12   48   C3   C3   HC    160.002
  14   12   47   C3   C3   HC    159.996
  14   12   48   C3   C3   HC     79.997
  47   12   48   HC   C3   HC     79.999
   5   13   16  Npl  Car  Car    119.998
   5   13   17  Npl  Car  Car    120.001
  16   13   17  Car  Car  Car    120.001
  12   14   15   C3   C3   C3    120.001
  12   14   49   C3   C3   HC    159.996
  12   14   50   C3   C3   HC     79.997
  15   14   49   C3   C3   HC     80.004
  15   14   50   C3   C3   HC    160.002
  49   14   50   HC   C3   HC     79.999
   6   15   14  Nam   C3   C3    120.001
   6   15   51  Nam   C3   HC    159.996
   6   15   52  Nam   C3   HC     79.997
  14   15   51   C3   C3   HC     80.004
  14   15   52   C3   C3   HC    160.002
  51   15   52   HC   C3   HC     79.999
   1   16   13   O3  Car  Car    120.001
   1   16   18   O3  Car  Car    120.001
  13   16   18  Car  Car  Car    119.998
  13   17   19  Car  Car  Car    120.001
  13   17   53  Car  Car   HC    119.998
  19   17   53  Car  Car   HC    120.002
  16   18   20  Car  Car  Car    119.998
  16   18   54  Car  Car   HC    120.002
  20   18   54  Car  Car   HC    120.000
  17   19   20  Car  Car  Car    120.001
  17   19   55  Car  Car   HC    120.002
  20   19   55  Car  Car   HC    119.998
  18   20   19  Car  Car  Car    120.001
  18   20   57  Car  Car   HC    119.998
  19   20   57  Car  Car   HC    120.001
   2   21    6   O2   C2  Nam    120.001
   2   21   23   O2   C2  Car    120.001
   6   21   23  Nam   C2  Car    119.998
   1   22   58   O3   C3   HC     90.001
   1   22   59   O3   C3   HC    179.974
   1   22   60   O3   C3   HC     89.999
  58   22   59   HC   C3   HC     90.000
  58   22   60   HC   C3   HC    179.974
  59   22   60   HC   C3   HC     90.000
  21   23   24   C2  Car  Car    120.001
  21   23   25   C2  Car  Car    119.998
  24   23   25  Car  Car  Car    120.001
  23   24   27  Car  Car  Car    120.001
  23   24   61  Car  Car   HC    119.998
  27   24   61  Car  Car   HC    120.002
  23   25   28  Car  Car  Car    119.998
  23   25   62  Car  Car   HC    120.000
  28   25   62  Car  Car   HC    120.002
  27   26   28  Car  Car  Car    120.001
  27   26   29  Car  Car  Car    120.001
  28   26   29  Car  Car  Car    119.998
  24   27   26  Car  Car  Car    120.001
  24   27   63  Car  Car   HC    120.002
  26   27   63  Car  Car   HC    119.998
  25   28   26  Car  Car  Car    119.998
  25   28   64  Car  Car   HC    120.002
  26   28   64  Car  Car   HC    120.000
  26   29   30  Car  Car  Car    120.001
  26   29   31  Car  Car  Car    119.998
  30   29   31  Car  Car  Car    120.001
  29   30   33  Car  Car  Car    120.001
  29   30   65  Car  Car   HC    119.998
  33   30   65  Car  Car   HC    120.002
  29   31   34  Car  Car  Car    119.998
  29   31   66  Car  Car   HC    120.000
  34   31   66  Car  Car   HC    120.002
  33   32   34  Car  Car  Car    120.001
  33   32   35  Car  Car   C2    120.001
  34   32   35  Car  Car   C2    119.998
  30   33   32  Car  Car  Car    120.001
  30   33   67  Car  Car   HC    120.002
  32   33   67  Car  Car   HC    119.998
  31   34   32  Car  Car  Car    119.998
  31   34   68  Car  Car   HC    120.002
  32   34   68  Car  Car   HC    120.000
   3   35   32   O2   C2  Car    119.998
   3   35   36   O2   C2   C3    120.001
  32   35   36  Car   C2   C3    120.001
  35   36   69   C2   C3   HC     90.001
  35   36   70   C2   C3   HC    179.974
  35   36   71   C2   C3   HC     89.999
  69   36   70   HC   C3   HC     90.000
  69   36   71   HC   C3   HC    179.974
  70   36   71   HC   C3   HC     90.000


TORSION ANGLES
  22    1   16   13    179.974
  22    1   16   18      0.026
  16    1   22   58    179.974
  16    1   22   59      0.026
  16    1   22   60      0.026
   8    4    7    9      0.026
   8    4    7   37    179.974
   8    4    7   38    179.974
  11    4    7    9    179.974
  11    4    7   37      0.026
  11    4    7   38      0.026
   7    4    8   10      0.026
   7    4    8   39    179.974
   7    4    8   40    179.974
  11    4    8   10    179.974
  11    4    8   39      0.026
  11    4    8   40      0.026
   7    4   11   12    179.974
   7    4   11   45      0.026
   7    4   11   46      0.026
   8    4   11   12      0.026
   8    4   11   45    179.974
   8    4   11   46    179.974
  10    5    9    7      0.026
  10    5    9   43    179.974
  10    5    9   44    179.974
  13    5    9    7    179.974
  13    5    9   43      0.026
  13    5    9   44      0.026
   9    5   10    8      0.026
   9    5   10   41    179.974
   9    5   10   42    179.974
  13    5   10    8    179.974
  13    5   10   41      0.026
  13    5   10   42      0.026
   9    5   13   16      0.026
   9    5   13   17    179.974
  10    5   13   16    179.974
  10    5   13   17      0.026
  21    6   15   14    179.974
  21    6   15   51      0.026
  21    6   15   52      0.026
  56    6   15   14      0.026
  56    6   15   51    179.974
  56    6   15   52    179.974
  15    6   21    2      0.026
  15    6   21   23    179.974
  56    6   21    2    179.974
  56    6   21   23      0.026
   4    7    9    5      0.026
   4    7    9   43    179.974
   4    7    9   44    179.974
  37    7    9    5    179.974
  37    7    9   43      0.026
  37    7    9   44      0.026
  38    7    9    5    179.974
  38    7    9   43      0.026
  38    7    9   44      0.026
   4    8   10    5      0.026
   4    8   10   41    179.974
   4    8   10   42    179.974
  39    8   10    5    179.974
  39    8   10   41      0.026
  39    8   10   42      0.026
  40    8   10    5    179.974
  40    8   10   41      0.026
  40    8   10   42      0.026
   4   11   12   14    179.974
   4   11   12   47      0.026
   4   11   12   48      0.026
  45   11   12   14      0.026
  45   11   12   47    179.974
  45   11   12   48    179.974
  46   11   12   14      0.026
  46   11   12   47    179.974
  46   11   12   48    179.974
  11   12   14   15    179.974
  11   12   14   49      0.026
  11   12   14   50      0.026
  47   12   14   15      0.026
  47   12   14   49    179.974
  47   12   14   50    179.974
  48   12   14   15      0.026
  48   12   14   49    179.974
  48   12   14   50    179.974
   5   13   16    1      0.026
   5   13   16   18    179.974
  17   13   16    1    179.974
  17   13   16   18      0.026
   5   13   17   19    179.974
   5   13   17   53      0.026
  16   13   17   19      0.026
  16   13   17   53    179.974
  12   14   15    6    179.974
  12   14   15   51      0.026
  12   14   15   52      0.026
  49   14   15    6      0.026
  49   14   15   51    179.974
  49   14   15   52    179.974
  50   14   15    6      0.026
  50   14   15   51    179.974
  50   14   15   52    179.974
   1   16   18   20    179.974
   1   16   18   54      0.026
  13   16   18   20      0.026
  13   16   18   54    179.974
  13   17   19   20      0.026
  13   17   19   55    179.974
  53   17   19   20    179.974
  53   17   19   55      0.026
  16   18   20   19      0.026
  16   18   20   57    179.974
  54   18   20   19    179.974
  54   18   20   57      0.026
  17   19   20   18      0.026
  17   19   20   57    179.974
  55   19   20   18    179.974
  55   19   20   57      0.026
   2   21   23   24      0.026
   2   21   23   25    179.974
   6   21   23   24    179.974
   6   21   23   25      0.026
  21   23   24   27    179.974
  21   23   24   61      0.026
  25   23   24   27      0.026
  25   23   24   61    179.974
  21   23   25   28    179.974
  21   23   25   62      0.026
  24   23   25   28      0.026
  24   23   25   62    179.974
  23   24   27   26      0.026
  23   24   27   63    179.974
  61   24   27   26    179.974
  61   24   27   63      0.026
  23   25   28   26      0.026
  23   25   28   64    179.974
  62   25   28   26    179.974
  62   25   28   64      0.026
  28   26   27   24      0.026
  28   26   27   63    179.974
  29   26   27   24    179.974
  29   26   27   63      0.026
  27   26   28   25      0.026
  27   26   28   64    179.974
  29   26   28   25    179.974
  29   26   28   64      0.026
  27   26   29   30      0.026
  27   26   29   31    179.974
  28   26   29   30    179.974
  28   26   29   31      0.026
  26   29   30   33    179.974
  26   29   30   65      0.026
  31   29   30   33      0.026
  31   29   30   65    179.974
  26   29   31   34    179.974
  26   29   31   66      0.026
  30   29   31   34      0.026
  30   29   31   66    179.974
  29   30   33   32      0.026
  29   30   33   67    179.974
  65   30   33   32    179.974
  65   30   33   67      0.026
  29   31   34   32      0.026
  29   31   34   68    179.974
  66   31   34   32    179.974
  66   31   34   68      0.026
  34   32   33   30      0.026
  34   32   33   67    179.974
  35   32   33   30    179.974
  35   32   33   67      0.026
  33   32   34   31      0.026
  33   32   34   68    179.974
  35   32   34   31    179.974
  35   32   34   68      0.026
  33   32   35    3    179.974
  33   32   35   36      0.026
  34   32   35    3      0.026
  34   32   35   36    179.974
   3   35   36   69    179.974
   3   35   36   70      0.026
   3   35   36   71      0.026
  32   35   36   69      0.026
  32   35   36   70    179.974
  32   35   36   71    179.974