Sign In Join Free

Products Information

(E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine hydrochloride
(E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine hydrochloride ID: AN-6967
CAS:78628-80-5
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:Cl.N(Cc1c2c(ccc1)cccc2)(C/C=C/C#CC(C)(C)C)C	5282481
FORMULA: C21H26ClN
MASS: 327.8908
EXACT MASS: 327.1753775
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    6.1487     0.0000 
   C   3    5.3983     1.0000     0.0000 
   C   4    5.7354     1.7320     1.0000     0.0000 
   C   5    5.2183     2.6457     1.7320     1.0000     0.0000 
   C   6    5.8296     3.4641     2.6457     1.7320     1.0000     0.0000 
   C   7   10.0478     5.2915     6.2450     7.0000     7.9372     8.7178 
   C   8    6.0872     1.0000     1.7320     2.6457     3.4641     4.3589 
   C   9    6.7315     2.0000     1.7320     1.0000     1.7320     2.0000 
   C  10    4.1779     3.0072     2.0073     1.7603     1.0417     1.7761 
   C  11    6.8118     3.6055     3.0000     2.0000     1.7320     1.0000 
   C  12    7.0870     1.0001     1.7321     2.0000     3.0000     3.6056 
   C  13    7.2156     3.0000     2.6457     1.7320     2.0000     1.7320 
   C  14    5.6061     4.4033     3.5080     2.6902     1.7760     1.0416 
   C  15   11.0284     6.2450     7.2111     7.9373     8.8882     9.6437 
   C  16    9.8904     5.6978     6.5928     7.4295     8.3185     9.1613 
   C  17   10.3004     5.0533     6.0445     6.6936     7.6683     8.3709 
   C  18    6.9799     1.7321     2.6458     3.4641     4.3589     5.1962 
   C  19    3.8311     4.0487     3.0489     2.7087     1.8001     2.0693 
   C  20    4.6595     4.6476     3.6691     3.0693     2.0693     1.8001 
   C  21    9.0716     4.3589     5.2915     6.0828     7.0000     7.8102 
   C  22    7.1391     2.6458     3.4641     4.3589     5.1962     6.0828 
   C  23    8.1013     3.4641     4.3589     5.1962     6.0828     6.9282 
   H  24    5.0704     1.0812     0.6200     1.5967     2.1829     3.1512 
   H  25    4.8423     1.5967     0.6200     1.0813     1.4156     2.4060 
   H  26    5.9162     1.5967     2.1829     3.1512     3.8917     4.8281 
   H  27    5.4754     1.0812     1.4156     2.4060     3.1022     4.0507 
   H  28    7.1028     1.7733     1.8397     1.4158     2.2901     2.6200 
   H  29    3.8711     2.7518     1.7865     1.8711     1.4559     2.3301 
   H  30    6.9121     1.1766     1.5201     1.4956     2.4825     3.0148 
   H  31    7.6765     1.6200     2.2901     2.3716     3.3533     3.8242 
   H  32    7.3104     1.1767     2.1115     2.5559     3.5506     4.2048 
   H  33    7.2258     4.2100     3.6200     2.6200     2.2901     1.4158 
   H  34    7.8352     3.3533     3.1408     2.2901     2.6200     2.2901 
   H  35    6.1101     4.9111     4.0532     3.1811     2.3300     1.4559 
   H  36   11.1614     6.1023     7.0878     7.7565     8.7272     9.4387 
   H  37   11.6379     6.8429     7.8144     8.5255     9.4828    10.2247 
   H  38   10.9290     6.4446     7.3847     8.1613     9.0888     9.8834 
   H  39    9.7104     4.4408     5.4296     6.0933     7.0632     7.7805 
   H  40   10.5019     5.0013     6.0011     6.5732     7.5635     8.2098 
   H  41   10.8939     5.6675     6.6604     7.2972     8.2758     8.9653 
   H  42   10.5070     6.2490     7.1617     7.9776     8.8815     9.7074 
   H  43    9.8426     6.0197     6.8729     7.7487     8.6048     9.4788 
   H  44    9.2743     5.1623     6.0340     6.8936     7.7641     8.6252 
   H  45    7.4955     1.8397     2.8292     3.5192     4.4726     5.2330 
   H  46    3.2469     4.3962     3.4079     3.2062     2.3594     2.6893 
   H  47    4.6681     5.2588     4.2751     3.6893     2.6893     2.3594 
   H  48    6.7000     2.8292     3.5191     4.4726     5.2330     6.1648 
   H  49    1.0000     7.1399     6.3704     6.6584     6.0777     6.6100 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.5826     0.0000 
   C   9    6.9282     3.0000     0.0000 
   C  10    8.1828     3.6019     2.6799     0.0000 
   C  11    8.6602     4.5826     1.7320     2.6903     0.0000 
   C  12    5.1961     1.7321     1.7321     3.6231     3.4641     0.0000 
   C  13    7.8102     4.0000     1.0000     3.0416     1.0000     2.6458 
   C  14    9.6881     5.2401     3.0415     2.0693     1.7603     4.6264 
   C  15    1.0001     5.5678     7.8103     9.1637     9.5394     6.0828 
   C  16    1.0001     4.8716     7.4786     8.4461     9.2012     5.7617 
   C  17    1.0000     4.5020     6.4863     8.0364     8.2061     4.7753 
   C  18    3.6055     1.0001     3.6056     4.5812     5.2915     2.0000 
   C  19    9.2031     4.6207     3.5321     1.0416     3.0693     4.6402 
   C  20    9.9115     5.3518     3.6766     1.8001     2.7087     5.0693 
   C  21    1.0000     3.6056     6.0828     7.2073     7.8102     4.3589 
   C  22    2.9999     1.7321     4.5826     5.2838     6.2450     3.0000 
   C  23    2.0000     2.6458     5.2915     6.2395     7.0000     3.6055 
   H  24    5.9981     1.4155     2.3451     2.1891     3.5889     2.0295 
   H  25    6.7558     2.1828     2.0296     1.4341     2.9561     2.3452 
   H  26    4.3997     0.6200     3.5889     3.8881     5.1245     2.3451 
   H  27    5.1244     0.6199     2.9561     3.1018     4.3998     2.0296 
   H  28    6.3988     2.7431     0.6201     3.1710     2.2901     1.2347 
   H  29    7.7768     3.2036     2.8621     0.6200     3.1812     3.5020 
   H  30    5.8161     2.1114     1.1121     3.2108     2.8442     0.6200 
   H  31    5.2330     2.2901     1.8397     4.0819     3.5192     0.6200 
   H  32    4.5761     1.5201     2.3521     4.0881     4.0842     0.6201 
   H  33    9.2024     5.1927     2.2901     3.1851     0.6200     4.0131 
   H  34    7.8743     4.3433     1.4158     3.6616     1.4158     2.8292 
   H  35   10.1735     5.7817     3.3912     2.6893     1.8710     5.0498 
   H  36    1.1767     5.5056     7.5558     9.0700     9.2745     5.8449 
   H  37    1.6200     6.1810     8.3705     9.7737    10.0958     6.6486 
   H  38    1.1767     5.6973     8.1044     9.2980     9.8364     6.3723 
   H  39    1.1766     3.8824     5.9175     7.4188     7.6436     4.1962 
   H  40    1.6199     4.5627     6.2770     8.0072     7.9747     4.6051 
   H  41    1.1766     5.1218     7.0638     8.6543     8.7764     5.3636 
   H  42    1.1767     5.4495     7.9846     9.0360     9.7132     6.2579 
   H  43    1.6200     5.1411     7.8644     8.6633     9.5736     6.1678 
   H  44    1.1766     4.3055     6.9910     7.8608     8.7032     5.2916 
   H  45    3.4849     1.4158     3.4849     4.8253     5.2100     1.7732 
   H  46    9.4258     4.8642     4.0814     1.4559     3.6893     5.0701 
   H  47   10.5119     5.9431     4.2806     2.3593     3.2062     5.6893 
   H  48    3.3533     1.8397     4.8212     5.1972     6.4222     3.3533 
   H  49   11.0027     7.0870     7.6475     5.0373     7.6053     8.0703 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.6799     0.0000 
   C  15    8.6603    10.6275     0.0000 
   C  16    8.4060    10.0906     1.4143     0.0000 
   C  17    7.3034     9.3755     1.4142     2.0000     0.0000 
   C  18    4.5826     6.1271     4.5826     3.9664     3.5025     0.0000 
   C  19    3.6766     1.8000    10.1879     9.4370     9.0739     5.6079 
   C  20    3.5321     1.0416    10.8801    10.2178     9.6991     6.3072 
   C  21    7.0000     8.7622     2.0000     1.4143     1.4142     2.6457 
   C  22    5.5678     6.9722     4.0000     3.1623     3.1622     1.0000 
   C  23    6.2450     7.8546     3.0000     2.2361     2.2360     1.7320 
   H  24    3.2657     3.9345     6.9830     6.2626     5.8935     2.4059 
   H  25    2.8114     3.1446     7.7335     7.0485     6.6031     3.1512 
   H  26    4.5875     5.6580     5.3984     4.5683     4.4550     1.0813 
   H  27    3.9400     4.8642     6.1176     5.3449     5.0943     1.5967 
   H  28    1.4158     3.6616     7.2598     6.9909     5.9174     3.2069 
   H  29    3.3913     2.6893     8.7670     7.9868     7.6922     4.2006 
   H  30    2.0403     4.0453     6.7008     6.3753     5.3862     2.5558 
   H  31    2.6009     4.8638     6.0634     5.8869     4.7026     2.3716 
   H  32    3.2568     5.2165     5.4650     5.1495     4.1671     1.4955 
   H  33    1.4158     1.8548    10.0650     9.7683     8.7150     5.8809 
   H  34    0.6201     3.1710     8.6824     8.5287     7.2986     4.8212 
   H  35    2.8620     0.6200    11.0991    10.6086     9.8213     6.6422 
   H  36    8.3676    10.4409     0.6200     1.9039     1.0698     4.5067 
   H  37    9.2024    11.2151     0.6200     1.9038     1.9038     5.1927 
   H  38    8.9864    10.8464     0.6201     1.0698     1.9038     4.7391 
   H  39    6.7576     8.7791     1.9038     2.0940     0.6200     2.8831 
   H  40    7.0424     9.2309     1.9037     2.6200     0.6200     3.5802 
   H  41    7.8603     9.9748     1.0697     2.0940     0.6201     4.1222 
   H  42    8.8942    10.6498     1.0698     0.6201     2.0939     4.5229 
   H  43    8.8122    10.3808     1.9039     0.6200     2.6200     4.2931 
   H  44    7.9364     9.5391     1.9038     0.6200     2.0939     3.4317 
   H  45    4.4187     6.2092     4.4187     3.9938     3.2153     0.6200 
   H  46    4.2806     2.3593    10.4192     9.5985     9.3575     5.8629 
   H  47    4.0814     1.4559    11.4839    10.8014    10.3117     6.9065 
   H  48    5.8193     6.9990     4.3434     3.3423     3.6494     1.4158 
   H  49    8.0770     6.2728    11.9774    10.8129    11.2782     7.9764 

              C  19      C  20      C  21      C  22      C  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0416     0.0000 
   C  21    8.2219     8.9498     0.0000 
   C  22    6.2775     7.0585     2.0000     0.0000 
   C  23    7.2459     7.9975     1.0000     1.0000     0.0000 
   H  24    3.2052     3.9564     5.0192     3.1022     4.0507     0.0000 
   H  25    2.4710     3.1699     5.7858     3.8917     4.8281     0.7970 
   H  26    4.8692     5.6757     3.4019     1.4156     2.4059     1.7320 
   H  27    4.0965     4.8835     4.1346     2.1828     3.1512     0.9351 
   H  28    4.0793     4.2811     5.5843     4.2029     4.8399     2.3980 
   H  29    1.4559     2.3594     6.7895     4.8307     5.8066     1.7986 
   H  30    4.1953     4.5441     4.9753     3.5505     4.2047     1.9808 
   H  31    5.0716     5.4076     4.4726     3.3533     3.8242     2.6367 
   H  32    5.1216     5.6139     3.7436     2.4824     3.0147     2.2546 
   H  33    3.4191     2.8837     8.3704     6.8428     7.5792     4.2079 
   H  34    4.2811     4.0793     7.1151     5.8193     6.4222     3.7574 
   H  35    2.3593     1.4558     9.2633     7.5119     8.3737     4.5087 
   H  36   10.1042    10.7499     2.0940     4.0478     3.0634     6.9106 
   H  37   10.7999    11.4833     2.6200     4.6200     3.6200     7.5956 
   H  38   10.3084    11.0437     2.0940     4.0478     3.0635     7.1090 
   H  39    8.4558     9.0880     1.0698     2.5815     1.7042     5.2737 
   H  40    9.0486     9.6175     1.9037     3.4094     2.5737     5.9133 
   H  41    9.6924    10.3114     1.9038     3.7556     2.8044     6.5135 
   H  42   10.0331    10.8006     1.9039     3.7556     2.8044     6.8492 
   H  43    9.6314    10.4512     1.9038     3.4095     2.5738     6.4989 
   H  44    8.8443     9.6396     1.0698     2.5816     1.7043     5.6832 
   H  45    5.8650     6.4873     2.6008     1.4158     1.8397     2.7169 
   H  46    0.6201     1.4559     8.4340     6.4582     7.4445     3.4642 
   H  47    1.4558     0.6200     9.5458     7.6397     8.5874     4.5391 
   H  48    6.1518     6.9933     2.3716     0.6201     1.4158     3.0690 
   H  49    4.5591     5.2744    10.0331     8.1160     9.0701     6.0601 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    2.5291     0.0000 
   H  27    1.7321     0.7970     0.0000 
   H  28    2.2861     3.3572     2.8259     0.0000 
   H  29    1.1667     3.4187     2.6557     3.2669     0.0000 
   H  30    2.0775     2.7298     2.2546     0.6534     3.1807     0.0000 
   H  31    2.8867     2.8867     2.6367     1.2346     4.0220     0.8768 
   H  32    2.7299     2.0774     1.9808     1.8415     3.8961     1.2400 
   H  33    3.5651     5.7400     5.0189     2.8059     3.7143     3.3953 
   H  34    3.3701     4.9496     4.3563     1.6200     4.0042     2.2732 
   H  35    3.7264     6.2216     5.4319     4.0042     3.3093     4.4497 
   H  36    7.6359     5.4047     6.0827     6.9853     8.7071     6.4560 
   H  37    8.3422     6.0178     6.7344     7.8102     9.3820     7.2644 
   H  38    7.8789     5.4630     6.2146     7.5753     8.8700     6.9923 
   H  39    5.9852     3.8451     4.4759     5.3600     7.0723     4.8114 
   H  40    6.5834     4.5994     5.1735     5.6873     7.7047     5.1990 
   H  41    7.2214     5.0674     5.7131     6.4863     8.3121     5.9700 
   H  42    7.6308     5.1672     5.9376     7.4786     8.5855     6.8756 
   H  43    7.2931     4.7760     5.5680     7.4022     8.1759     6.7730 
   H  44    6.4733     3.9758     4.7592     6.5258     7.3917     5.8977 
   H  45    3.3946     1.6620     2.0354     3.0074     4.5075     2.3825 
   H  46    2.7994     5.0426     4.3016     4.6049     1.6658     4.6666 
   H  47    3.7605     6.2473     5.4594     4.8891     2.8788     5.1625 
   H  48    3.8653     1.3414     2.1354     4.5048     4.6959     3.8536 
   H  49    5.8023     6.9101     6.4754     8.0434     4.7874     7.8779 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.8769     0.0000 
   H  33    4.0130     4.6315     0.0000 
   H  34    2.6457     3.4075     1.6200     0.0000 
   H  35    5.2308     5.6543     1.7531     3.2669     0.0000 
   H  36    5.7673     5.2359     9.7803     8.3507    10.8899     0.0000 
   H  37    6.6018     6.0337    10.6119     9.2024    11.6792     0.8768 
   H  38    6.4060     5.7523    10.3791     9.0446    11.3385     1.2400 
   H  39    4.1597     3.5826     8.1640     6.7808     9.2334     1.6640 
   H  40    4.4555     4.0189     8.4581     6.9900     9.6487     1.4142 
   H  41    5.2626     4.7606     9.2747     7.8314    10.4131     0.5374 
   H  42    6.3431     5.6406    10.2708     8.9889    11.1586     1.6640 
   H  43    6.3377     5.5658    10.1528     8.9665    10.9156     2.4531 
   H  44    5.4630     4.6891     9.2801     8.0900    10.0667     2.2911 
   H  45    2.0000     1.1751     5.7745     4.5826     6.6888     4.2626 
   H  46    5.5375     5.5138     4.0334     4.8891     2.8788    10.3696 
   H  47    6.0245     6.2333     3.2972     4.6049     1.6658    11.3604 
   H  48    3.7759     2.8995     7.0323     6.1235     7.5628     4.4626 
   H  49    8.6548     8.3045     7.9782     8.6969     6.7281    12.1255 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    2.4531     2.2911     0.0000 
   H  40    2.2910     2.4531     0.8768     0.0000 
   H  41    1.4142     1.6640     1.2400     0.8768     0.0000 
   H  42    1.4142     0.5374     2.3533     2.6924     2.0000     0.0000 
   H  43    2.2911     1.4143     2.6924     3.2400     2.6924     0.8769 
   H  44    2.4531     1.6640     2.0000     2.6923     2.3533     1.2400 
   H  45    5.0104     4.6529     2.6014     3.1974     3.8313     4.5046 
   H  46   11.0356    10.5053     8.7376     9.3686     9.9774    10.2038 
   H  47   12.0887    11.6391     9.6995    10.2348    10.9248    11.3881 
   H  48    4.9592     4.3109     3.0981     3.9507     4.2199     3.9573 
   H  49   12.5836    11.8598    10.6920    11.4896    11.8681    11.4268 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    4.3948     3.5185     0.0000 
   H  46    9.7555     8.9952     6.1719     0.0000 
   H  47   11.0226    10.2186     7.0983     1.6657     0.0000 
   H  48    3.4827     2.7296     1.9436     6.2751     7.5543     0.0000 
   H  49   10.7404    10.1999     8.4947     3.9470     5.1795     7.6629 

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



ATOMIC CHARGES
  Cl   1   -0.1453996612
   N   2   -0.2975217481
   C   3    0.0246336852
   C   4   -0.0256676250
   C   5   -0.0134793384
   C   6   -0.0175820034
   C   7    0.0238722781
   C   8    0.0179931680
   C   9   -0.0567474632
   C  10   -0.0537285553
   C  11   -0.0540122063
   C  12   -0.0121178773
   C  13   -0.0608687560
   C  14   -0.0540209494
   C  15   -0.0491071088
   C  16   -0.0491071088
   C  17   -0.0491071088
   C  18   -0.0618890566
   C  19   -0.0611576705
   C  20   -0.0611663378
   C  21   -0.0916457297
   C  22   -0.0142601687
   C  23   -0.0738390990
   H  24    0.0475822257
   H  25    0.0475822257
   H  26    0.0470071137
   H  27    0.0470071137
   H  28    0.0620882865
   H  29    0.0623706522
   H  30    0.0390822433
   H  31    0.0390822433
   H  32    0.0390822433
   H  33    0.0623619151
   H  34    0.0617851047
   H  35    0.0623618111
   H  36    0.0243963515
   H  37    0.0243963515
   H  38    0.0243963515
   H  39    0.0243963515
   H  40    0.0243963515
   H  41    0.0243963515
   H  42    0.0243963515
   H  43    0.0243963515
   H  44    0.0243963515
   H  45    0.0590930995
   H  46    0.0617764000
   H  47    0.0617762953
   H  48    0.0709206435
   H  49    0.1453996612


BOND ANGLES
   3    2    8   C3   N3   C3    120.001
   3    2   12   C3   N3   C3    120.001
   8    2   12   C3   N3   C3    119.998
   2    3    4   N3   C3  Car    120.001
   2    3   24   N3   C3   HC     79.995
   2    3   25   N3   C3   HC    159.993
   4    3   24  Car   C3   HC    160.004
   4    3   25  Car   C3   HC     80.006
  24    3   25   HC   C3   HC     79.998
   3    4    5   C3  Car  Car    120.001
   3    4    9   C3  Car  Car    120.001
   5    4    9  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    120.001
   4    5   10  Car  Car  Car    119.116
   6    5   10  Car  Car  Car    120.884
   5    6   11  Car  Car  Car    120.001
   5    6   14  Car  Car  Car    120.879
  11    6   14  Car  Car  Car    119.120
  15    7   16   C3   C3   C3     90.000
  15    7   17   C3   C3   C3     89.997
  15    7   21   C3   C3   C1    179.974
  16    7   17   C3   C3   C3    179.974
  16    7   21   C3   C3   C1     90.003
  17    7   21   C3   C3   C1     90.000
   2    8   18   N3   C3   C2    119.998
   2    8   26   N3   C3   HC    160.004
   2    8   27   N3   C3   HC     80.004
  18    8   26   C2   C3   HC     79.998
  18    8   27   C2   C3   HC    159.998
  26    8   27   HC   C3   HC     80.000
   4    9   13  Car  Car  Car    120.001
   4    9   28  Car  Car   HC    120.002
  13    9   28  Car  Car   HC    119.997
   5   10   19  Car  Car  Car    119.554
   5   10   29  Car  Car   HC    120.218
  19   10   29  Car  Car   HC    120.228
   6   11   13  Car  Car  Car    119.999
   6   11   33  Car  Car   HC    120.001
  13   11   33  Car  Car   HC    120.001
   2   12   30   N3   C3   HC     89.996
   2   12   31   N3   C3   HC    179.974
   2   12   32   N3   C3   HC     89.999
  30   12   31   HC   C3   HC     90.000
  30   12   32   HC   C3   HC    179.974
  31   12   32   HC   C3   HC     90.005
   9   13   11  Car  Car  Car    120.001
   9   13   34  Car  Car   HC    119.997
  11   13   34  Car  Car   HC    120.002
   6   14   20  Car  Car  Car    119.563
   6   14   35  Car  Car   HC    120.214
  20   14   35  Car  Car   HC    120.223
   7   15   36   C3   C3   HC     90.004
   7   15   37   C3   C3   HC    179.974
   7   15   38   C3   C3   HC     90.001
  36   15   37   HC   C3   HC     90.000
  36   15   38   HC   C3   HC    179.974
  37   15   38   HC   C3   HC     89.995
   7   16   42   C3   C3   HC     89.999
   7   16   43   C3   C3   HC    179.974
   7   16   44   C3   C3   HC     89.996
  42   16   43   HC   C3   HC     90.005
  42   16   44   HC   C3   HC    179.974
  43   16   44   HC   C3   HC     90.000
   7   17   39   C3   C3   HC     90.001
   7   17   40   C3   C3   HC    179.974
   7   17   41   C3   C3   HC     90.004
  39   17   40   HC   C3   HC     90.000
  39   17   41   HC   C3   HC    179.974
  40   17   41   HC   C3   HC     89.995
   8   18   22   C3   C2   C2    119.998
   8   18   45   C3   C2   HC    120.000
  22   18   45   C2   C2   HC    120.002
  10   19   20  Car  Car  Car    119.563
  10   19   46  Car  Car   HC    120.217
  20   19   46  Car  Car   HC    120.221
  14   20   19  Car  Car  Car    119.558
  14   20   47  Car  Car   HC    120.230
  19   20   47  Car  Car   HC    120.213
   7   21   23   C3   C1   C1    179.974
  18   22   23   C2   C2   C1    120.001
  18   22   48   C2   C2   HC    119.997
  23   22   48   C1   C2   HC    120.002
  21   23   22   C1   C1   C2    179.974


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