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N-[[benzoyl(methyl)amino]-ethoxy-methyl-silyl]-N-methyl-benzamide
N-[[benzoyl(methyl)amino]-ethoxy-methyl-silyl]-N-methyl-benzamide ID: AN-17438
CAS:16230-35-6
Supplier:AN PharmaTech Co Ltd

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SMILES:[Si](OCC)(N(C)C(=O)c1ccccc1)(N(C)C(=O)c1ccccc1)C	85342
FORMULA: C19H24N2O3Si
MASS: 356.4910
EXACT MASS: 356.1556192
INTERATOMIC DISTANCES

             Si   1      O   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
  Si   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    2.0000     2.9093     0.0000 
   O   4    2.0000     2.9093     2.0000     0.0000 
   N   5    1.0000     1.4142     1.7320     2.6457     0.0000 
   N   6    1.0000     1.4142     2.6457     1.7320     2.0000     0.0000 
   C   7    1.0000     2.0000     1.2393     1.2393     1.4142     1.4142 
   C   8    1.7321     1.5060     3.6056     2.6458     2.6458     1.0001 
   C   9    1.7321     1.5060     2.6458     3.6056     1.0001     2.6458 
   C  10    1.7320     2.3942     1.0000     2.6457     1.0000     2.6457 
   C  11    1.7320     2.3942     2.6457     1.0000     2.6457     1.0000 
   C  12    1.7320     1.0000     3.7320     3.2348     2.3942     1.5060 
   C  13    2.6457     3.1196     1.7320     3.6055     1.7320     3.6055 
   C  14    2.6457     3.1196     3.6055     1.7320     3.6055     1.7320 
   C  15    2.6457     1.7320     4.6251     4.2341     3.1196     2.5036 
   C  16    3.4641     4.0576     2.0000     4.0000     2.6457     4.3589 
   C  17    3.4641     4.0576     4.0000     2.0000     4.3589     2.6457 
   C  18    3.0000     3.1623     2.6457     4.3589     2.0000     4.0000 
   C  19    3.0000     3.1623     4.3589     2.6457     4.0000     2.0000 
   C  20    4.3589     4.8439     3.0000     5.0000     3.4641     5.2915 
   C  21    4.3589     4.8439     5.0000     3.0000     5.2915     3.4641 
   C  22    4.0000     4.1231     3.4641     5.2915     3.0000     5.0000 
   C  23    4.0000     4.1231     5.2915     3.4641     5.0000     3.0000 
   C  24    4.5826     4.8715     3.6055     5.5678     3.6055     5.5678 
   C  25    4.5826     4.8715     5.5678     3.6055     5.5678     3.6055 
   H  26    1.1766     2.0939     1.7777     0.8248     1.9038     1.0698 
   H  27    1.6200     2.6200     1.0063     1.0063     1.9038     1.9038 
   H  28    1.1766     2.0939     0.8248     1.7777     1.0698     1.9038 
   H  29    1.5201     0.9791     3.5087     2.9083     2.2884     1.1767 
   H  30    2.2901     1.8543     4.2100     3.2380     3.1408     1.6200 
   H  31    2.1114     2.0847     3.8024     2.5121     3.0874     1.1766 
   H  32    2.1114     2.0847     2.5121     3.8024     1.1766     3.0874 
   H  33    2.2901     1.8543     3.2380     4.2100     1.6200     3.1408 
   H  34    1.5201     0.9791     2.9083     3.5087     1.1767     2.2884 
   H  35    2.1829     1.5968     4.1578     3.3735     2.9527     1.6769 
   H  36    1.4156     1.0813     3.3672     2.6506     2.2716     0.9207 
   H  37    2.5121     1.5200     4.4116     4.2986     2.7933     2.6112 
   H  38    3.2380     2.2901     5.1984     4.8539     3.6354     3.1229 
   H  39    2.9083     2.1114     4.9082     4.2598     3.5256     2.5468 
   H  40    3.5191     4.2334     3.7289     1.7732     4.3317     2.8291 
   H  41    3.5191     4.2334     1.7732     3.7289     2.8291     4.3317 
   H  42    2.7431     2.7296     4.3318     2.8292     3.7289     1.7733 
   H  43    2.7431     2.7296     2.8292     4.3318     1.7733     3.7289 
   H  44    4.8707     5.4094     5.3371     3.3533     5.7744     4.0130 
   H  45    4.8707     5.4094     3.3533     5.3371     4.0130     5.7744 
   H  46    4.3433     4.3348     5.7745     4.0130     5.3371     3.3533 
   H  47    4.3433     4.3348     4.0130     5.7745     3.3533     5.3371 
   H  48    5.1927     5.4494     4.2100     6.1810     4.2100     6.1810 
   H  49    5.1927     5.4494     6.1810     4.2100     6.1810     4.2100 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.3942     0.0000 
   C   9    2.3942     3.0000     0.0000 
   C  10    1.5060     3.4641     1.7321     0.0000 
   C  11    1.5060     1.7321     3.4641     3.0000     0.0000 
   C  12    2.6457     0.8965     2.4494     3.3460     2.4495     0.0000 
   C  13    2.5036     4.3589     2.0000     1.0000     4.0000     4.1144 
   C  14    2.5036     2.0000     4.3589     4.0000     1.0000     2.8754 
   C  15    3.6055     1.7526     2.8753     4.1144     3.4252     1.0000 
   C  16    3.0880     5.1962     3.0000     1.7320     4.5826     5.0390 
   C  17    3.0880     3.0000     5.1962     4.5826     1.7320     3.8730 
   C  18    3.1623     4.5826     1.7321     1.7320     4.5826     4.1468 
   C  19    3.1623     1.7321     4.5826     4.5826     1.7320     2.6084 
   C  20    4.0664     6.0828     3.6056     2.6457     5.5678     5.8416 
   C  21    4.0664     3.6056     6.0828     5.5678     2.6457     4.5020 
   C  22    4.1231     5.5678     2.6458     2.6457     5.5678     5.0920 
   C  23    4.1231     2.6458     5.5678     5.5678     2.6457     3.4745 
   C  24    4.5020     6.2450     3.4641     3.0000     6.0000     5.8645 
   C  25    4.5020     3.4641     6.2450     6.0000     3.0000     4.3363 
   H  26    0.6200     2.0632     2.8243     2.1242     0.8901     2.5121 
   H  27    0.6200     2.9036     2.9036     1.6788     1.6788     3.2380 
   H  28    0.6200     2.8243     2.0632     0.8901     2.1242     2.9083 
   H  29    2.3797     0.6200     2.4825     3.1995     2.1115     0.3381 
   H  30    3.0084     0.6200     3.3533     4.0130     2.2901     0.9490 
   H  31    2.5633     0.6200     3.5505     3.8121     1.5201     1.5040 
   H  32    2.5633     3.5505     0.6200     1.5201     3.8121     3.0525 
   H  33    3.0084     3.3533     0.6200     2.2901     4.0130     2.6778 
   H  34    2.3797     2.4825     0.6200     2.1115     3.1995     1.8576 
   H  35    2.9967     0.7420     3.0676     3.8703     2.4738     0.6200 
   H  36    2.1997     0.4250     2.5786     3.1348     1.8326     0.6200 
   H  37    3.5086     2.0596     2.3913     3.7919     3.5920     1.1766 
   H  38    4.2100     2.3414     3.2677     4.6353     4.0361     1.6200 
   H  39    3.8024     1.6340     3.4038     4.4996     3.3660     1.1766 
   H  40    2.9743     3.3533     5.2330     4.4186     1.8396     4.1871 
   H  41    2.9743     5.2330     3.3533     1.8396     4.4186     5.1817 
   H  42    3.0981     1.2347     4.2029     4.4187     1.8397     2.0626 
   H  43    3.0981     4.2029     1.2347     1.8397     4.4187     3.6841 
   H  44    4.4929     4.2100     6.6018     5.9770     3.1407     5.1055 
   H  45    4.4929     6.6018     4.2100     3.1407     5.9770     6.4028 
   H  46    4.5759     2.8292     5.8193     5.9770     3.1408     3.5761 
   H  47    4.5759     5.8193     2.8292     3.1408     5.9770     5.2648 
   H  48    5.1218     6.8428     4.0131     3.6200     6.6200     6.4366 
   H  49    5.1218     4.0131     6.8428     6.6200     3.6200     4.8677 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.0000     0.0000 
   C  15    4.7602     3.7416     0.0000 
   C  16    1.0000     5.5678     5.7320     0.0000 
   C  17    5.5678     1.0000     4.7396     6.0000     0.0000 
   C  18    1.0000     5.5678     4.6039     1.7320     6.2450     0.0000 
   C  19    5.5678     1.0000     3.2869     6.2450     1.7320     6.0000 
   C  20    1.7320     6.5574     6.4489     1.0000     7.0000     2.0000 
   C  21    6.5574     1.7320     5.2661     7.0000     1.0000     7.2111 
   C  22    1.7320     6.5574     5.4706     2.0000     7.2111     1.0000 
   C  23    6.5574     1.7320     4.0090     7.2111     2.0000     7.0000 
   C  24    2.0000     7.0000     6.3343     1.7320     7.5498     1.7320 
   C  25    7.0000     2.0000     4.9534     7.5498     1.7320     7.5498 
   H  26    3.1229     1.8848     3.5086     3.6933     2.4900     3.7556 
   H  27    2.6112     2.6112     4.2100     3.0021     3.0021     3.4095 
   H  28    1.8848     3.1229     3.8024     2.4900     3.6933     2.5815 
   H  29    4.0204     2.5558     1.3275     4.9156     3.5505     4.1339 
   H  30    4.8708     2.3716     1.4473     5.7415     3.3533     5.0104 
   H  31    4.7546     1.4956     2.2693     5.5322     2.4825     5.0675 
   H  32    1.4956     4.7546     3.4936     2.4825     5.5322     1.1121 
   H  33    2.3716     4.8708     2.8921     3.3533     5.7415     1.8397 
   H  34    2.5558     4.0204     2.2579     3.5505     4.9156     2.3521 
   H  35    4.6832     2.6770     1.0812     5.5851     3.6707     4.7565 
   H  36    3.9979     2.2809     1.5967     4.8631     3.2731     4.1800 
   H  37    4.3440     4.0510     0.6200     5.3335     5.0492     4.0971 
   H  38    5.2171     4.3079     0.6200     6.2039     5.3006     4.9679 
   H  39    5.2171     3.5154     0.6200     6.1672     4.4947     5.1356 
   H  40    5.3763     1.4157     5.1058     5.7153     0.6200     6.1257 
   H  41    1.4157     5.3763     5.9487     0.6200     5.7153     2.2900 
   H  42    5.3763     1.4158     2.6796     6.1257     2.2901     5.7153 
   H  43    1.4158     5.3763     4.0618     2.2901     6.1257     0.6201 
   H  44    6.9530     2.2900     5.8825     7.3297     1.4158     7.6540 
   H  45    2.2900     6.9530     7.0380     1.4158     7.3297     2.6199 
   H  46    6.9530     2.2901     3.9642     7.6540     2.6200     7.3297 
   H  47    2.2901     6.9530     5.5357     2.6200     7.6540     1.4158 
   H  48    2.6200     7.6200     6.8675     2.2901     8.1660     2.2901 
   H  49    7.6200     2.6200     5.4246     8.1660     2.2901     8.1660 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    7.2111     0.0000 
   C  21    2.0000     8.0000     0.0000 
   C  22    7.0000     1.7320     8.1853     0.0000 
   C  23    1.0000     8.1853     1.7320     8.0000     0.0000 
   C  24    7.5498     1.0000     8.5440     1.0000     8.5440     0.0000 
   C  25    1.7320     8.5440     1.0000     8.5440     1.0000     9.0000 
   H  26    2.5815     4.6776     3.4584     4.7270     3.5248     5.1218 
   H  27    3.4095     4.0016     4.0016     4.3156     4.3156     4.5627 
   H  28    3.7556     3.4584     4.6776     3.5248     4.7270     3.8823 
   H  29    2.3521     5.7523     4.2047     5.1005     3.2567     5.8323 
   H  30    1.8397     6.6018     3.8242     5.9770     2.6009     6.7056 
   H  31    1.1121     6.4560     3.0148     6.0625     2.0403     6.6898 
   H  32    5.0675     3.0148     6.4560     2.0403     6.0625     2.8442 
   H  33    5.0104     3.8242     6.6018     2.6009     5.9770     3.5192 
   H  34    4.1339     4.2047     5.7523     3.2567     5.1005     4.0841 
   H  35    2.2148     6.4146     4.1858     5.7077     2.9920     6.4683 
   H  36    2.1296     5.7277     3.9442     5.1603     3.0625     5.8563 
   H  37    3.7195     5.9949     5.6571     4.9273     4.5103     5.8185 
   H  38    3.7800     6.8717     5.7761     5.7803     4.4223     6.6845 
   H  39    2.9227     6.9286     4.9224     6.0288     3.5454     6.8675 
   H  40    2.2900     6.7115     1.4158     7.0643     2.6199     7.3256 
   H  41    6.1257     1.4158     6.7115     2.6199     7.0643     2.2900 
   H  42    0.6201     7.0643     2.6200     6.7115     1.4158     7.3256 
   H  43    5.7153     2.6200     7.0643     1.4158     6.7115     2.2901 
   H  44    2.6199     8.3273     0.6200     8.6142     2.2900     8.9210 
   H  45    7.6540     0.6200     8.3273     2.2900     8.6142     1.4157 
   H  46    1.4158     8.6142     2.2901     8.3273     0.6201     8.9210 
   H  47    7.3297     2.2901     8.6142     0.6201     8.3273     1.4158 
   H  48    8.1660     1.4158     9.1610     1.4158     9.1610     0.6200 
   H  49    2.2901     9.1610     1.4158     9.1610     1.4158     9.6200 

              C  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   C  25    0.0000 
   H  26    3.8823     0.0000 
   H  27    4.5627     0.8768     0.0000 
   H  28    5.1218     1.2400     0.8768     0.0000 
   H  29    4.0841     2.2030     2.9573     2.6910     0.0000 
   H  30    3.5192     2.6815     3.5234     3.4175     0.8768     0.0000 
   H  31    2.8442     2.1045     2.9807     3.0791     1.2399     0.8768 
   H  32    6.6898     3.0791     2.9807     2.1045     3.0634     3.9390 
   H  33    6.7056     3.4175     3.5234     2.6815     2.7824     3.6200 
   H  34    5.8323     2.6910     2.9573     2.2030     1.9262     2.7824 
   H  35    3.9064     2.7448     3.5494     3.3460     0.6708     0.3912 
   H  36    3.8587     1.9714     2.7569     2.5612     0.2831     0.8783 
   H  37    5.4246     3.5199     4.1273     3.6055     1.5056     1.9104 
   H  38    5.3939     4.1273     4.8185     4.3798     1.9463     1.9594 
   H  39    4.5182     3.6055     4.3798     4.0848     1.4234     1.1438 
   H  40    2.2900     2.4280     2.7672     3.5449     3.8536     3.7759 
   H  41    7.3256     3.5449     2.7672     2.4280     5.0213     5.8080 
   H  42    2.2901     2.5782     3.4480     3.6494     1.8414     1.2346 
   H  43    7.3256     3.6494     3.4480     2.5782     3.7086     4.5826 
   H  44    1.4157     3.9021     4.3586     5.0907     4.8031     4.4422 
   H  45    8.9210     5.0907     4.3586     3.9021     6.2987     7.1370 
   H  46    1.4158     3.9973     4.8196     5.1640     3.4074     2.6457 
   H  47    8.9210     5.1640     4.8196     3.9973     5.3117     6.1810 
   H  48    9.6200     5.7416     5.1752     4.5020     6.4167     7.2920 
   H  49    0.6200     4.5020     5.1752     5.7416     4.6314     4.0130 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    4.0738     0.0000 
   H  33    3.9390     0.8768     0.0000 
   H  34    3.0634     1.2399     0.8768     0.0000 
   H  35    1.1916     3.6675     3.2930     2.4776     0.0000 
   H  36    1.0246     3.1359     2.9286     2.0575     0.7971     0.0000 
   H  37    2.6431     2.9984     2.3304     1.7929     1.5201     1.7880 
   H  38    2.8186     3.8730     3.1795     2.6691     1.6309     2.2128 
   H  39    2.0205     4.0236     3.4738     2.7840     0.8923     1.6343 
   H  40    2.8995     5.5067     5.8080     5.0213     4.0621     3.5708 
   H  41    5.5067     2.8995     3.7759     3.8536     5.6911     4.9347 
   H  42    0.6534     4.7269     4.5826     3.7086     1.6183     1.6562 
   H  43    4.7269     0.6534     1.2346     1.8414     4.3020     3.7873 
   H  44    3.6260     6.9472     7.1370     6.2987     4.8017     4.5385 
   H  45    6.9472     3.6260     4.4422     4.8031     6.9651     6.2597 
   H  46    2.2732     6.3469     6.1810     5.3117     3.0290     3.2542 
   H  47    6.3469     2.2732     2.6457     3.4074     5.8848     5.4015 
   H  48    7.2968     3.3953     4.0130     4.6314     7.0452     6.4496 
   H  49    3.3953     7.2968     7.2920     6.4167     4.4038     4.4179 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    1.2400     0.8768     0.0000 
   H  40    5.3587     5.6892     4.9185     0.0000 
   H  41    5.6002     6.4564     6.3389     5.3800     0.0000 
   H  42    3.1347     3.1621     2.3028     2.8059     6.0677     0.0000 
   H  43    3.5318     4.3951     4.6144     6.0677     2.8059     5.3800 
   H  44    6.2657     6.3954     5.5423     1.6200     7.0000     3.2400 
   H  45    6.5954     7.4720     7.5057     7.0000     1.6200     7.5414 
   H  46    4.5133     4.3050     3.4392     3.2400     7.5414     1.6200 
   H  47    4.9609     5.7847     6.1194     7.5414     3.2400     7.0000 
   H  48    6.3343     7.1917     7.4141     7.9350     2.8059     7.9350 
   H  49    5.9233     5.8296     4.9534     2.8059     7.9350     2.8059 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    7.5414     0.0000 
   H  45    3.2400     8.6200     0.0000 
   H  46    7.0000     2.8059     9.0652     0.0000 
   H  47    1.6200     9.0652     2.8059     8.6200     0.0000 
   H  48    2.8059     9.5338     1.6199     9.5338     1.6200     0.0000 
   H  49    7.9350     1.6199     9.5338     1.6200     9.5338    10.2400 

              H  49
              -----------
   H  49    0.0000 



ATOMIC CHARGES
  Si   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   O   4    0.0000000000
   N   5    0.0000000000
   N   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000
   C  21    0.0000000000
   C  22    0.0000000000
   C  23    0.0000000000
   C  24    0.0000000000
   C  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000
   H  34    0.0000000000
   H  35    0.0000000000
   H  36    0.0000000000
   H  37    0.0000000000
   H  38    0.0000000000
   H  39    0.0000000000
   H  40    0.0000000000
   H  41    0.0000000000
   H  42    0.0000000000
   H  43    0.0000000000
   H  44    0.0000000000
   H  45    0.0000000000
   H  46    0.0000000000
   H  47    0.0000000000
   H  48    0.0000000000
   H  49    0.0000000000


BOND ANGLES
   2    1    5   O3   Si  Nam     90.000
   2    1    6   O3   Si  Nam     90.000
   2    1    7   O3   Si   C3    179.974
   5    1    6  Nam   Si  Nam    179.974
   5    1    7  Nam   Si   C3     90.000
   6    1    7  Nam   Si   C3     90.000
   1    2   12   Si   O3   C3    120.001
   1    5    9   Si  Nam   C3    119.998
   1    5   10   Si  Nam   C2    120.001
   9    5   10   C3  Nam   C2    120.001
   1    6    8   Si  Nam   C3    119.998
   1    6   11   Si  Nam   C2    120.001
   8    6   11   C3  Nam   C2    120.001
   1    7   26   Si   C3   HC     90.000
   1    7   27   Si   C3   HC    179.974
   1    7   28   Si   C3   HC     90.000
  26    7   27   HC   C3   HC     90.000
  26    7   28   HC   C3   HC    179.974
  27    7   28   HC   C3   HC     90.000
   6    8   29  Nam   C3   HC     90.004
   6    8   30  Nam   C3   HC    179.974
   6    8   31  Nam   C3   HC     89.996
  29    8   30   HC   C3   HC     90.000
  29    8   31   HC   C3   HC    179.974
  30    8   31   HC   C3   HC     90.000
   5    9   32  Nam   C3   HC     89.996
   5    9   33  Nam   C3   HC    179.974
   5    9   34  Nam   C3   HC     90.004
  32    9   33   HC   C3   HC     90.000
  32    9   34   HC   C3   HC    179.974
  33    9   34   HC   C3   HC     90.000
   3   10    5   O2   C2  Nam    119.999
   3   10   13   O2   C2  Car    120.001
   5   10   13  Nam   C2  Car    120.001
   4   11    6   O2   C2  Nam    119.999
   4   11   14   O2   C2  Car    120.001
   6   11   14  Nam   C2  Car    120.001
   2   12   15   O3   C3   C3    120.001
   2   12   35   O3   C3   HC    160.002
   2   12   36   O3   C3   HC     80.004
  15   12   35   C3   C3   HC     79.997
  15   12   36   C3   C3   HC    159.996
  35   12   36   HC   C3   HC     79.999
  10   13   16   C2  Car  Car    120.001
  10   13   18   C2  Car  Car    120.001
  16   13   18  Car  Car  Car    119.999
  11   14   17   C2  Car  Car    120.001
  11   14   19   C2  Car  Car    120.001
  17   14   19  Car  Car  Car    119.999
  12   15   37   C3   C3   HC     90.000
  12   15   38   C3   C3   HC    179.974
  12   15   39   C3   C3   HC     90.000
  37   15   38   HC   C3   HC     90.000
  37   15   39   HC   C3   HC    179.974
  38   15   39   HC   C3   HC     90.000
  13   16   20  Car  Car  Car    120.001
  13   16   41  Car  Car   HC    119.998
  20   16   41  Car  Car   HC    120.002
  14   17   21  Car  Car  Car    120.001
  14   17   40  Car  Car   HC    119.998
  21   17   40  Car  Car   HC    120.002
  13   18   22  Car  Car  Car    120.001
  13   18   43  Car  Car   HC    120.002
  22   18   43  Car  Car   HC    119.997
  14   19   23  Car  Car  Car    120.001
  14   19   42  Car  Car   HC    120.002
  23   19   42  Car  Car   HC    119.997
  16   20   24  Car  Car  Car    120.001
  16   20   45  Car  Car   HC    120.002
  24   20   45  Car  Car   HC    119.998
  17   21   25  Car  Car  Car    120.001
  17   21   44  Car  Car   HC    120.002
  25   21   44  Car  Car   HC    119.998
  18   22   24  Car  Car  Car    120.001
  18   22   47  Car  Car   HC    119.997
  24   22   47  Car  Car   HC    120.002
  19   23   25  Car  Car  Car    120.001
  19   23   46  Car  Car   HC    119.997
  25   23   46  Car  Car   HC    120.002
  20   24   22  Car  Car  Car    119.999
  20   24   48  Car  Car   HC    120.001
  22   24   48  Car  Car   HC    120.001
  21   25   23  Car  Car  Car    119.999
  21   25   49  Car  Car   HC    120.001
  23   25   49  Car  Car   HC    120.001


TORSION ANGLES
   5    1    2   12    179.974
   6    1    2   12      0.026
   7    1    2   12    180.000
   2    1    5    9      0.026
   2    1    5   10    179.974
   6    1    5    9    180.000
   6    1    5   10    180.000
   7    1    5    9    179.974
   7    1    5   10      0.026
   2    1    6    8      0.026
   2    1    6   11    179.974
   5    1    6    8    180.000
   5    1    6   11    180.000
   7    1    6    8    179.974
   7    1    6   11      0.026
   2    1    7   26    180.000
   2    1    7   27    180.000
   2    1    7   28    180.000
   5    1    7   26    179.974
   5    1    7   27    180.000
   5    1    7   28      0.026
   6    1    7   26      0.026
   6    1    7   27    180.000
   6    1    7   28    179.974
   1    2   12   15    179.974
   1    2   12   35      0.026
   1    2   12   36      0.026
   1    5    9   32    179.974
   1    5    9   33    179.974
   1    5    9   34      0.026
  10    5    9   32      0.026
  10    5    9   33      0.026
  10    5    9   34    179.974
   1    5   10    3      0.026
   1    5   10   13    179.974
   9    5   10    3    179.974
   9    5   10   13      0.026
   1    6    8   29      0.026
   1    6    8   30    179.974
   1    6    8   31    179.974
  11    6    8   29    179.974
  11    6    8   30      0.026
  11    6    8   31      0.026
   1    6   11    4      0.026
   1    6   11   14    179.974
   8    6   11    4    179.974
   8    6   11   14      0.026
   3   10   13   16      0.026
   3   10   13   18    179.974
   5   10   13   16    179.974
   5   10   13   18      0.026
   4   11   14   17      0.026
   4   11   14   19    179.974
   6   11   14   17    179.974
   6   11   14   19      0.026
   2   12   15   37      0.026
   2   12   15   38    180.000
   2   12   15   39    179.974
  35   12   15   37    179.974
  35   12   15   38    180.000
  35   12   15   39      0.026
  36   12   15   37    179.974
  36   12   15   38    180.000
  36   12   15   39      0.026
  10   13   16   20    179.974
  10   13   16   41      0.026
  18   13   16   20      0.026
  18   13   16   41    179.974
  10   13   18   22    179.974
  10   13   18   43      0.026
  16   13   18   22      0.026
  16   13   18   43    179.974
  11   14   17   21    179.974
  11   14   17   40      0.026
  19   14   17   21      0.026
  19   14   17   40    179.974
  11   14   19   23    179.974
  11   14   19   42      0.026
  17   14   19   23      0.026
  17   14   19   42    179.974
  13   16   20   24      0.026
  13   16   20   45    179.974
  41   16   20   24    179.974
  41   16   20   45      0.026
  14   17   21   25      0.026
  14   17   21   44    179.974
  40   17   21   25    179.974
  40   17   21   44      0.026
  13   18   22   24      0.026
  13   18   22   47    179.974
  43   18   22   24    179.974
  43   18   22   47      0.026
  14   19   23   25      0.026
  14   19   23   46    179.974
  42   19   23   25    179.974
  42   19   23   46      0.026
  16   20   24   22      0.026
  16   20   24   48    179.974
  45   20   24   22    179.974
  45   20   24   48      0.026
  17   21   25   23      0.026
  17   21   25   49    179.974
  44   21   25   23    179.974
  44   21   25   49      0.026
  18   22   24   20      0.026
  18   22   24   48    179.974
  47   22   24   20    179.974
  47   22   24   48      0.026
  19   23   25   21      0.026
  19   23   25   49    179.974
  46   23   25   21    179.974
  46   23   25   49      0.026