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(2R,6S)-4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-propyl]-2,6-dimethyl-morpholine hydrochloride
(2R,6S)-4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-propyl]-2,6-dimethyl-morpholine hydrochloride ID: AN-16151
CAS:78613-38-4
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.O1[C@@H](CN(CC(Cc2ccc(C(CC)(C)C)cc2)C)C[C@@H]1C)C	54259
FORMULA: C21H36ClNO
MASS: 353.9696
EXACT MASS: 353.2485425
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    7.7768     0.0000 
   N   3    5.7899     2.0000     0.0000 
   C   4    4.8004     2.9999     1.0000     0.0000 
   C   5    4.5417     3.6055     1.7320     1.0000     0.0000 
   C   6    6.4485     1.7320     1.0000     1.7320     2.0000     0.0000 
   C   7    6.2401     1.7320     1.0000     1.7320     2.6457     1.7320 
   C   8    7.2400     1.0000     1.7320     2.6457     3.4641     2.0000 
   C   9    7.4204     1.0000     1.7320     2.6457     2.9999     1.0000 
   C  10    3.6260     4.5826     2.6458     1.7321     1.0001     3.0000 
   C  11    5.2421     7.8102     6.2450     5.5678     4.5826     6.0828 
   C  12    5.3562     3.4641     2.0000     1.7320     1.0000     1.7320 
   C  13    3.7055     5.2915     3.4641     2.6458     1.7321     3.6056 
   C  14    8.1317     1.7321     2.6458     3.4641     3.6055     1.7321 
   C  15    7.7997     1.7320     2.6457     3.4641     4.3589     3.0000 
   C  16    4.5713     6.9282     5.2915     4.5826     3.6056     5.1962 
   C  17    6.0052     8.7178     7.2111     6.5574     5.5678     7.0000 
   C  18    3.0418     6.2450     4.3589     3.4641     2.6458     4.5826 
   C  19    4.6683     5.1961     3.6055     3.0000     2.0000     3.4641 
   C  20    4.6087     8.3023     6.5928     5.8080     4.8716     6.5724 
   C  21    5.9766     7.4210     6.0445     5.5016     4.5020     5.7275 
   C  22    3.5827     7.0000     5.1962     4.3589     3.4641     5.2915 
   C  23    5.0375     6.0827     4.5826     4.0000     3.0000     4.3589 
   C  24    5.9653     9.5394     7.9373     7.2111     6.2450     7.8102 
   H  25    4.8494     2.9561     1.0813     0.6200     1.5967     2.0295 
   H  26    4.1931     3.5888     1.5968     0.6200     1.0812     2.3451 
   H  27    5.1252     3.0074     1.2347     0.8743     0.6200     1.3800 
   H  28    5.9489     2.3451     1.0813     1.4156     1.4331     0.6200 
   H  29    6.7306     2.0296     1.5967     2.1828     2.1942     0.6200 
   H  30    6.3869     2.0295     1.5967     2.1828     3.1512     2.3451 
   H  31    5.6654     2.3451     1.0812     1.4155     2.4059     2.0295 
   H  32    7.8600     0.8743     2.2901     3.2380     4.0130     2.3716 
   H  33    8.0265     0.8743     2.2901     3.2380     3.6200     1.6200 
   H  34    3.4986     4.3997     2.4059     1.4156     1.0813     2.9561 
   H  35    3.0112     5.1245     3.1512     2.1829     1.5968     3.5888 
   H  36    5.0528     4.0840     2.5558     2.1114     1.1766     2.3520 
   H  37    5.8899     3.5191     2.3716     2.2900     1.6199     1.8397 
   H  38    5.7110     2.8441     1.4956     1.5200     1.1766     1.1121 
   H  39    8.3024     1.5200     2.9083     3.8121     4.6402     3.0634 
   H  40    8.1889     2.2901     3.2380     4.0130     4.9340     3.6200 
   H  41    7.3150     2.1114     2.5121     3.1995     4.1517     3.0634 
   H  42    7.7295     2.1114     2.5121     3.1995     3.1879     1.5201 
   H  43    8.6016     2.2901     3.2380     4.0130     4.0601     2.2901 
   H  44    8.5599     1.5201     2.9083     3.8121     4.0750     2.1115 
   H  45    6.6005     9.1780     7.7334     7.1127     6.1177     7.4737 
   H  46    6.3116     8.3923     6.9829     6.3974     5.3983     6.6942 
   H  47    2.4246     6.4221     4.4726     3.5192     2.8292     4.8212 
   H  48    5.1180     4.6695     3.2069     2.7431     1.7732     2.9435 
   H  49    6.3879     8.0085     6.6604     6.1215     5.1218     6.3252 
   H  50    6.4678     7.2388     6.0010     5.5514     4.5627     5.5863 
   H  51    5.6038     6.8393     5.4296     4.8818     3.8823     5.1350 
   H  52    4.1137     7.7867     6.0340     5.2246     4.3054     6.0631 
   H  53    4.2867     8.6515     6.8729     6.0358     5.1411     6.9313 
   H  54    5.1309     8.8313     7.1616     6.3982     5.4495     7.0993 
   H  55    3.4181     7.5792     5.7415     4.8708     4.0130     5.8808 
   H  56    5.6567     6.1648     4.8212     4.3433     3.3533     4.4726 
   H  57    5.3460     9.2164     7.5460     6.7780     5.8323     7.4843 
   H  58    6.0243    10.0650     8.4157     7.6540     6.7056     8.3333 
   H  59    6.5847     9.8907     8.3563     7.6699     6.6898     8.1703 
   H  60    1.0000     8.6975     6.7251     5.7460     5.5317     7.4175 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    3.4641     4.3589     4.0000     0.0000 
   C  11    7.2111     7.9373     6.9282     4.0000     0.0000 
   C  12    3.0000     3.6055     2.6457     1.7321     4.3589     0.0000 
   C  13    4.3589     5.1962     4.5826     1.0000     3.0000     2.0000 
   C  14    3.0000     2.6458     1.0001     4.5826     7.0000     3.0000 
   C  15    1.7320     1.0000     2.6457     5.1962     8.8882     4.5826 
   C  16    6.2450     7.0000     6.0828     3.0000     1.0000     3.4641 
   C  17    8.1854     8.8882     7.8102     5.0000     1.0000     5.2915 
   C  18    5.1962     6.0828     5.5677     1.7320     2.6457     3.0000 
   C  19    4.5826     5.2915     4.3589     1.7321     2.6458     1.7320 
   C  20    7.5143     8.3184     7.4785     4.1231     1.0000     4.8440 
   C  21    7.0382     7.6684     6.4863     4.1231     1.0000     4.0664 
   C  22    6.0828     6.9282     6.2450     2.6457     1.7320     3.6056 
   C  23    5.5678     6.2450     5.1961     2.6458     1.7321     2.6457 
   C  24    8.8882     9.6437     8.6602     5.5678     1.7320     6.0828 
   H  25    1.4156     2.4059     2.8113     2.1829     6.1177     2.3451 
   H  26    2.1829     3.1512     3.2656     1.4155     5.3983     2.0295 
   H  27    2.2146     2.9435     2.3800     1.6200     5.0104     0.8743 
   H  28    2.0296     2.5069     1.5967     2.4267     5.4853     1.1266 
   H  29    2.3451     2.5069     1.0813     3.1671     5.8507     1.6278 
   H  30    0.6200     1.0813     2.5068     3.8917     7.7334     3.5889 
   H  31    0.6200     1.5968     2.5068     3.1021     6.9829     2.9561 
   H  32    1.6200     0.6201     1.8397     4.9341     8.4158     4.0601 
   H  33    2.3716     1.8397     0.6201     4.6201     7.4716     3.2380 
   H  34    3.1022     4.0507     3.9399     0.6200     4.5875     2.0295 
   H  35    3.8917     4.8281     4.5875     0.6199     3.9399     2.3451 
   H  36    3.5505     4.2047     3.2566     1.5201     3.7437     0.6200 
   H  37    3.3533     3.8242     2.6008     2.2901     4.3318     0.6200 
   H  38    2.4825     3.0148     2.0403     2.1115     4.9753     0.6200 
   H  39    2.1114     1.1766     2.5121     5.5323     9.0888     4.7390 
   H  40    2.2901     1.6200     3.2380     5.7415     9.4829     5.1927 
   H  41    1.5200     1.1766     2.9083     4.9156     8.7271     4.5067 
   H  42    3.0634     2.9083     1.1766     4.1340     6.3870     2.4825 
   H  43    3.6200     3.2380     1.6200     5.0105     7.1151     3.3533 
   H  44    3.0634     2.5121     1.1767     5.0676     7.6142     3.5505 
   H  45    8.7162     9.3908     8.2505     5.5866     1.5967     5.7858 
   H  46    7.9716     8.6244     7.4596     4.9303     1.0812     5.0192 
   H  47    5.2330     6.1647     5.8193     1.8396     3.1407     3.3533 
   H  48    4.2029     4.8399     3.7979     1.8397     3.1408     1.2347 
   H  49    7.6551     8.2758     7.0637     4.7270     1.1766     4.6776 
   H  50    7.0009     7.5635     6.2770     4.3156     1.6200     4.0016 
   H  51    6.4219     7.0632     5.9174     3.5248     1.1766     3.4584 
   H  52    6.9404     7.7641     6.9909     3.5248     1.1766     4.3461 
   H  53    7.7612     8.6048     7.8644     4.3156     1.6200     5.2189 
   H  54    8.0950     8.8815     7.9845     4.7270     1.1766     5.3674 
   H  55    6.6018     7.4716     6.8428     3.1407     1.8396     4.2100 
   H  56    5.8193     6.4222     5.2330     3.1408     1.8397     2.8292 
   H  57    8.4775     9.2665     8.3675     5.1005     1.5200     5.7523 
   H  58    9.3512    10.1333     9.2024     5.9770     2.2900     6.6018 
   H  59    9.3221    10.0449     8.9863     6.0624     2.1114     6.4560 
   H  60    7.1164     8.1150     8.3803     4.6247     5.9766     6.3555 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.0001     0.0000 
   C  15    6.0828     3.4641     0.0000 
   C  16    2.0000     6.2450     7.9373     0.0000 
   C  17    4.0000     7.8103     9.8489     2.0000     0.0000 
   C  18    1.0000     6.0000     6.9282     1.7320     3.6055     0.0000 
   C  19    1.0001     4.5826     6.2450     1.7321     3.6056     1.7321 
   C  20    3.1623     7.6590     9.2302     1.4142     1.4142     2.5036 
   C  21    3.1623     6.4296     8.6489     1.4142     1.4142     3.1196 
   C  22    1.7320     6.5575     7.8102     1.0000     2.6457     1.0000 
   C  23    1.7321     5.2915     7.2111     1.0001     2.6458     2.0000 
   C  24    4.5826     8.7178    10.5830     2.6457     1.0000     4.0000 
   H  25    3.1512     3.7221     3.1022     5.1245     7.1127     3.8917 
   H  26    2.4059     4.0761     3.8917     4.3997     6.3974     3.1021 
   H  27    2.2901     3.0074     3.8787     4.0601     5.9770     3.2380 
   H  28    2.9898     2.1829     3.4978     4.5868     6.4140     3.9716 
   H  29    3.6167     1.4157     3.4978     5.0180     6.7291     4.6147 
   H  30    4.8281     3.4978     1.4156     6.7558     8.7162     5.6148 
   H  31    4.0506     3.4977     2.1829     5.9981     7.9716     4.8210 
   H  32    5.7415     2.6008     0.8743     7.4970     9.3512     6.6487 
   H  33    5.1928     0.8743     2.6009     6.6487     8.3334     6.1810 
   H  34    1.5967     4.6339     4.8211     3.5889     5.5866     2.1829 
   H  35    1.0812     5.1957     5.6148     2.9560     4.9302     1.4155 
   H  36    1.4956     3.5505     5.1724     2.8442     4.6842     2.4825 
   H  37    2.3716     2.7431     4.8212     3.5192     5.2100     3.3533 
   H  38    2.5558     2.4825     4.0019     4.0841     5.9015     3.5505 
   H  39    6.3723     3.1995     0.6200     8.1613    10.0303     7.2581 
   H  40    6.6486     4.0131     0.6200     8.5255    10.4482     7.4716 
   H  41    5.8449     3.8121     0.6200     7.7565     9.7038     6.6399 
   H  42    4.4739     0.6200     3.8121     5.6452     7.1917     5.4719 
   H  43    5.3371     0.6200     4.0130     6.4222     7.8743     6.3328 
   H  44    5.5456     0.6200     3.1995     6.8485     8.4291     6.5443 
   H  45    4.5875     8.1928    10.3611     2.5913     0.6200     4.2225 
   H  46    3.9399     7.3957     9.6003     1.9884     0.6200     3.6997 
   H  47    1.4157     6.3328     6.9559     2.2900     4.0601     0.6200 
   H  48    1.4158     3.9755     5.8142     2.2901     4.0601     2.2901 
   H  49    3.7556     6.9674     9.2590     1.9038     1.0698     3.6354 
   H  50    3.4095     6.1315     8.5561     1.9038     1.9038     3.5256 
   H  51    2.5815     5.9080     8.0404     1.0698     1.9038     2.6488 
   H  52    2.5815     7.2267     8.6626     1.0698     1.9038     1.8848 
   H  53    3.4095     8.1028     9.4891     1.9038     1.9038     2.6112 
   H  54    3.7556     8.1158     9.8041     1.9038     1.0698     3.1229 
   H  55    2.2900     7.1725     8.3333     1.4157     2.6008     1.4158 
   H  56    2.2901     5.2100     7.4070     1.4158     2.6009     2.6200 
   H  57    4.1339     8.4906    10.1879     2.2884     1.1766     3.4769 
   H  58    5.0104     9.2900    11.0591     3.1407     1.6199     4.3433 
   H  59    5.0675     8.9822    10.9988     3.0874     1.1766     4.5475 
   H  60    4.6873     9.1118     8.6181     5.3979     6.6560     3.9699 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.1197     0.0000 
   C  21    2.5036     2.0000     0.0000 
   C  22    2.0000     1.5060     2.3942     0.0000 
   C  23    1.0000     2.3942     1.5060     1.7321     0.0000 
   C  24    4.3589     1.5060     2.3942     3.0000     3.4641     0.0000 
   H  25    3.5889     6.3035     6.0924     4.8281     4.5875     7.7334 
   H  26    2.9561     5.5365     5.4435     4.0506     3.9399     6.9829 
   H  27    2.3716     5.3768     4.8269     4.0130     3.3533     6.7056 
   H  28    2.8555     5.9572     5.1662     4.6716     3.7688     7.2093 
   H  29    3.3037     6.4205     5.4071     5.2293     4.1188     7.5826 
   H  30    5.1245     7.9904     7.6004     6.5338     6.1176     9.3908 
   H  31    4.3997     7.2114     6.8934     5.7469     5.3983     8.6244 
   H  32    5.7745     8.8371     8.0966     7.4716     6.7056    10.1334 
   H  33    4.9340     8.0515     6.9873     6.8429     5.7415     9.2024 
   H  34    2.3451     4.6499     4.7402     3.1512     3.2657     6.1177 
   H  35    2.0295     3.9117     4.2123     2.4059     2.8113     5.3983 
   H  36    1.1121     4.2261     3.4887     3.0148     2.0403     5.4651 
   H  37    1.8396     4.9298     3.9021     3.8242     2.6008     6.0634 
   H  38    2.3520     5.4624     4.6550     4.2047     3.2566     6.7008 
   H  39    6.4445     9.4891     8.7846     8.1043     7.3846    10.8018 
   H  40    6.8428     9.8041     9.2590     8.3704     7.8144    11.1707 
   H  41    6.1022     9.0066     8.5561     7.5557     7.0878    10.3966 
   H  42    4.0019     7.0594     5.8098     5.9890     4.6842     8.1023 
   H  43    4.8212     7.8332     6.4723     6.8180     5.4428     8.8105 
   H  44    5.1724     8.2617     7.0495     7.1345     5.9015     9.3340 
   H  45    4.1347     1.9934     1.7679     3.2657     3.1512     1.0813 
   H  46    3.4019     1.8413     0.9736     2.8113     2.4059     1.5968 
   H  47    2.2901     2.8387     3.6973     1.4158     2.6200     4.3433 
   H  48    0.6200     3.6974     2.8388     2.6200     1.4158     4.8708 
   H  49    3.1229     2.0939     0.6200     2.8242     2.1242     2.0631 
   H  50    2.6112     2.6200     0.6200     2.9035     1.6788     2.9035 
   H  51    1.8848     2.0939     0.6200     2.0631     0.8901     2.8242 
   H  52    2.6489     0.6200     2.0939     0.8901     2.0632     2.1242 
   H  53    3.5257     0.6200     2.6200     1.6788     2.9036     1.6788 
   H  54    3.6355     0.6200     2.0939     2.1242     2.8243     0.8901 
   H  55    2.6200     1.2564     2.6814     0.6200     2.2901     2.7431 
   H  56    1.4158     2.6815     1.2564     2.2901     0.6200     3.5192 
   H  57    4.0204     0.9790     2.3796     2.4825     3.1995     0.6200 
   H  58    4.8708     1.8543     3.0083     3.3533     4.0130     0.6200 
   H  59    4.7546     2.0847     2.5632     3.5505     3.8121     0.6200 
   H  60    5.6361     5.2421     6.7794     4.3981     5.9454     6.4879 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7971     0.0000 
   H  27    1.4767     1.2868     0.0000 
   H  28    1.8728     1.9785     0.8251     0.0000 
   H  29    2.5703     2.7656     1.6080     0.7970     0.0000 
   H  30    1.7320     2.5291     2.7751     2.6464     2.9532     0.0000 
   H  31    0.9350     1.7320     2.1012     2.1562     2.6463     0.7971 
   H  32    3.0232     3.7600     3.4641     2.9379     2.7884     1.6310 
   H  33    3.3548     3.8564     3.0000     2.2128     1.6310     2.7884 
   H  34    1.7320     0.9350     1.6309     2.4518     3.2390     3.4641 
   H  35    2.5291     1.7320     2.2128     3.0298     3.7808     4.2611 
   H  36    2.7298     2.2545     1.3470     1.7447     2.2178     4.1207 
   H  37    2.8867     2.6367     1.4158     1.3368     1.5204     3.9640 
   H  38    2.0775     1.9808     0.6950     0.5129     1.0721     3.0901 
   H  39    3.5240     4.2936     4.1123     3.6212     3.4821     1.9301 
   H  40    3.6063     4.4027     4.4726     4.1143     4.1143     1.8777 
   H  41    2.7563     3.5532     3.7345     3.4821     3.6212     1.0254 
   H  42    3.5475     3.7891     2.6217     1.8217     1.0255     3.6212 
   H  43    4.3066     4.6160     3.4849     2.6726     1.8778     4.1143 
   H  44    3.9865     4.4318     3.4619     2.6421     1.9301     3.4821 
   H  45    7.6779     6.9750     6.5026     6.9000     7.1703     9.2581 
   H  46    6.9750     6.2946     5.7571     6.1269     6.3802     8.5236 
   H  47    3.8653     3.0690     3.4457     4.2290     4.9256     5.5965 
   H  48    3.3572     2.8258     2.0000     2.3539     2.7287     4.7740 
   H  49    6.7115     6.0582     5.4449     5.7711     5.9877     8.2191 
   H  50    6.1588     5.5623     4.8149     5.0583     5.2101     7.5833 
   H  51    5.4735     4.8300     4.2093     4.5654     4.8364     6.9820 
   H  52    5.7075     4.9347     4.8302     5.4444     5.9478     7.4046 
   H  53    6.4938     5.7092     5.6811     6.3119     6.8238     8.2070 
   H  54    6.9037     6.1420     5.9380     6.4887     6.9166     8.5810 
   H  55    5.3074     4.5177     4.5801     5.2617     5.8363     7.0291 
   H  56    4.9496     4.3562     3.6200     3.9169     4.1529     6.3937 
   H  57    7.2795     6.5146     6.3230     6.8740     7.2985     8.9609 
   H  58    8.1562     7.3908     7.1901     7.7263     8.1285     9.8369 
   H  59    8.2092     7.4734     7.1216     7.5805     7.9052     9.8410 
   H  60    5.7501     5.1316     6.1085     6.9303     7.7158     7.2161 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.2129     0.0000 
   H  33    2.9379     1.7320     0.0000 
   H  34    2.6670     4.6496     4.5535     0.0000 
   H  35    3.4641     5.4201     5.2069     0.7971     0.0000 
   H  36    3.4423     4.6722     3.8414     1.9808     2.0774     0.0000 
   H  37    3.4017     4.2101     3.1408     2.6367     2.8866     0.8768 
   H  38    2.5289     3.4508     2.6423     2.2546     2.7298     1.2399 
   H  39    2.6421     0.6950     2.3258     5.2069     5.9907     5.3475 
   H  40    2.6726     1.4158     3.1408     5.3371     6.1338     5.7778 
   H  41    1.8217     1.3471     2.9814     4.4880     5.2850     5.0675 
   H  42    3.4820     2.9813     1.3470     4.2493     4.7529     3.0000 
   H  43    4.1143     3.1407     1.4158     5.1153     5.6292     3.8536 
   H  44    3.6212     2.3258     0.6950     5.0655     5.6718     4.1208 
   H  45    8.5236     9.8369     8.7550     6.1798     5.5364     5.1888 
   H  46    7.8013     9.0611     7.9604     5.5364     4.9380     4.4304 
   H  47    4.7998     6.7523     6.4384     2.1355     1.3414     2.8995 
   H  48    4.0920     5.2915     4.3589     2.3980     2.2859     0.6534 
   H  49    7.5133     8.6962     7.5519     5.3419     4.7911     4.1049 
   H  50    6.9103     7.9556     6.7443     4.9352     4.4861     3.4687 
   H  51    6.2735     7.5003     6.4329     4.1438     3.6471     2.8743 
   H  52    6.6214     8.2943     7.5754     4.0402     3.2954     3.7349 
   H  53    7.4175     9.1437     8.4506     4.7940     4.0211     4.6095 
   H  54    7.8061     9.3896     8.5461     5.2619     4.5291     4.7474 
   H  55    6.2361     8.0261     7.4443     3.5955     2.8161     3.6260 
   H  56    5.7092     6.8428     5.7415     3.7574     3.3700     2.2732 
   H  57    8.1845     9.7751     8.9275     5.6289     4.8882     5.1324 
   H  58    9.0610    10.6366     9.7539     6.5026     5.7571     5.9822 
   H  59    9.0854    10.5160     9.5099     6.6284     5.9295     5.8449 
   H  60    6.5253     8.7344     8.9814     4.4784     4.0108     6.0510 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    4.9027     4.1339     0.0000 
   H  40    5.4400     4.6167     0.8768     0.0000 
   H  41    4.8188     3.9636     1.2400     0.8768     0.0000 
   H  42    2.1651     2.0235     3.6267     4.3934     4.0841     0.0000 
   H  43    3.0000     2.8995     3.6980     4.5380     4.3935     0.8768 
   H  44    3.3362     3.0000     2.8442     3.6981     3.6268     1.2399 
   H  45    5.6596     6.3873    10.5212    10.9653    10.2361     7.5728 
   H  46    4.8732     5.6147     9.7475    10.2077     9.4913     6.7758 
   H  47    3.7759     3.8536     7.3301     7.4716     6.6187     5.8349 
   H  48    1.2346     1.8414     5.9725     6.4222     5.7190     3.3890 
   H  49    4.4929     5.2611     9.3859     9.8702     9.1723     6.3476 
   H  50    3.7466     4.5565     8.6489     9.1723     8.5075     5.5130 
   H  51    3.3219     4.0532     8.1862     8.6489     7.9405     5.2900 
   H  52    4.4846     4.9595     8.9379     9.2302     8.4240     6.6381 
   H  53    5.3610     5.8305     9.7805    10.0482     9.2302     7.5129 
   H  54    5.4095     5.9873    10.0482    10.3833     9.5939     7.5082 
   H  55    4.4422     4.8031     8.6481     8.8822     8.0540     6.6065 
   H  56    2.6457     3.4074     7.5320     8.0195     7.3326     4.5920 
   H  57    5.7896     6.3723    10.4335    10.7663     9.9749     7.8816 
   H  58    6.6131     7.2216    11.2982    11.6393    10.8502     8.6767 
   H  59    6.3858     7.0686    11.1924    11.5942    10.8373     8.3631 
   H  60    6.8897     6.7037     9.1436     8.9718     8.1059     8.7193 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    8.2181     8.8128     0.0000 
   H  46    7.4238     8.0157     0.7971     0.0000 
   H  47    6.7065     6.8507     4.6801     4.2144     0.0000 
   H  48    4.2029     4.5708     4.5512     3.7861     2.8059     0.0000 
   H  49    6.9793     7.5872     1.2439     0.4752     4.1879     3.4536 
   H  50    6.1221     6.7502     2.1182     1.3473     4.1272     2.8184 
   H  51    5.9866     6.5264     2.3393     1.5616     3.2512     2.2268 
   H  52    7.4369     7.8201     2.5141     2.2093     2.2268     3.2512 
   H  53    8.3077     8.6968     2.4210     2.4025     2.8184     4.1273 
   H  54    8.2571     8.7250     1.5478     1.6335     3.4536     4.1880 
   H  55    7.4373     7.7467     3.2087     2.8966     1.6200     3.2400 
   H  56    5.2915     5.8285     3.0175     2.2280     3.2400     1.6200 
   H  57    8.6244     9.1010     1.5201     1.7880     3.7799     4.5703 
   H  58    9.3975     9.9042     1.6309     2.2128     4.6200     5.4053 
   H  59    9.0354     9.6014     0.8924     1.6343     4.9203     5.2278 
   H  60    9.5896     9.5285     7.2270     7.0212     3.3635     6.1024 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.8768     0.0000 
   H  51    1.2400     0.8768     0.0000 
   H  52    2.3532     2.6924     2.0000     0.0000 
   H  53    2.6924     3.2400     2.6924     0.8768     0.0000 
   H  54    2.0000     2.6924     2.3532     1.2400     0.8768     0.0000 
   H  55    3.0083     3.2487     2.4696     0.6980     1.2096     1.8543 
   H  56    1.8543     1.2096     0.6981     2.4697     3.2488     3.0084 
   H  57    2.2029     2.9572     2.6909     1.5929     1.0605     0.3856 
   H  58    2.6814     3.5234     3.4174     2.4632     1.8230     1.2564 
   H  59    2.1045     2.9806     3.0790     2.6937     2.2981     1.4848 
   H  60    7.1446     7.3016     6.4531     4.8128     4.8348     5.7066 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    2.8059     0.0000 
   H  57    2.1650     3.3596     0.0000 
   H  58    3.0000     4.1077     0.8768     0.0000 
   H  59    3.3362     3.7750     1.2399     0.8768     0.0000 
   H  60    4.1373     6.5608     5.8709     6.4596     7.1054     0.0000 




ATOMIC CHARGES
  Cl   1   -0.1453996612
   O   2   -0.3713713887
   N   3   -0.2971947797
   C   4    0.0019477523
   C   5   -0.0271044959
   C   6    0.0250447398
   C   7    0.0250447398
   C   8    0.0689467719
   C   9    0.0689467719
   C  10   -0.0239307428
   C  11   -0.0100992719
   C  12   -0.0609541060
   C  13   -0.0470463615
   C  14   -0.0374704074
   C  15   -0.0374704074
   C  16   -0.0417075834
   C  17   -0.0467182267
   C  18   -0.0582893633
   C  19   -0.0582893633
   C  20   -0.0557992928
   C  21   -0.0557992928
   C  22   -0.0578005342
   C  23   -0.0578005342
   C  24   -0.0644917298
   H  25    0.0429228440
   H  26    0.0429228440
   H  27    0.0313572460
   H  28    0.0451773348
   H  29    0.0451773348
   H  30    0.0451773348
   H  31    0.0451773348
   H  32    0.0605924476
   H  33    0.0605924476
   H  34    0.0316163914
   H  35    0.0316163914
   H  36    0.0232905951
   H  37    0.0232905951
   H  38    0.0232905951
   H  39    0.0254915712
   H  40    0.0254915712
   H  41    0.0254915712
   H  42    0.0254915712
   H  43    0.0254915712
   H  44    0.0254915712
   H  45    0.0270934751
   H  46    0.0270934751
   H  47    0.0620374193
   H  48    0.0620374193
   H  49    0.0238123528
   H  50    0.0238123528
   H  51    0.0238123528
   H  52    0.0238123528
   H  53    0.0238123528
   H  54    0.0238123528
   H  55    0.0620546008
   H  56    0.0620546008
   H  57    0.0230036118
   H  58    0.0230036118
   H  59    0.0230036118
   H  60    0.1453996612


BOND ANGLES
   8    2    9   C3   O3   C3    120.001
   4    3    6   C3   N3   C3    119.999
   4    3    7   C3   N3   C3    120.001
   6    3    7   C3   N3   C3    120.001
   3    4    5   N3   C3   C3    120.001
   3    4   25   N3   C3   HC     80.004
   3    4   26   N3   C3   HC    160.002
   5    4   25   C3   C3   HC    159.996
   5    4   26   C3   C3   HC     79.997
  25    4   26   HC   C3   HC     79.999
   4    5   10   C3   C3   C3    119.998
   4    5   12   C3   C3   C3    120.001
   4    5   27   C3   C3   HC     59.998
  10    5   12   C3   C3   C3    120.001
  10    5   27   C3   C3   HC    179.974
  12    5   27   C3   C3   HC     60.002
   3    6    9   N3   C3   C3    119.999
   3    6   28   N3   C3   HC     80.006
   3    6   29   N3   C3   HC    159.996
   9    6   28   C3   C3   HC    159.996
   9    6   29   C3   C3   HC     80.006
  28    6   29   HC   C3   HC     79.990
   3    7    8   N3   C3   C3    120.001
   3    7   30   N3   C3   HC    159.996
   3    7   31   N3   C3   HC     79.997
   8    7   30   C3   C3   HC     80.004
   8    7   31   C3   C3   HC    160.002
  30    7   31   HC   C3   HC     79.999
   2    8    7   O3   C3   C3    119.999
   2    8   15   O3   C3   C3    120.001
   2    8   32   O3   C3   HC     59.998
   7    8   15   C3   C3   C3    120.001
   7    8   32   C3   C3   HC    179.974
  15    8   32   C3   C3   HC     60.003
   2    9    6   O3   C3   C3    120.001
   2    9   14   O3   C3   C3    119.998
   2    9   33   O3   C3   HC     60.003
   6    9   14   C3   C3   C3    120.001
   6    9   33   C3   C3   HC    179.974
  14    9   33   C3   C3   HC     59.995
   5   10   13   C3   C3  Car    119.998
   5   10   34   C3   C3   HC     79.998
   5   10   35   C3   C3   HC    160.007
  13   10   34  Car   C3   HC    160.004
  13   10   35  Car   C3   HC     79.995
  34   10   35   HC   C3   HC     80.009
  16   11   17  Car   C3   C3    179.974
  16   11   20  Car   C3   C3     90.000
  16   11   21  Car   C3   C3     90.000
  17   11   20   C3   C3   C3     90.000
  17   11   21   C3   C3   C3     90.000
  20   11   21   C3   C3   C3    179.974
   5   12   36   C3   C3   HC     89.999
   5   12   37   C3   C3   HC    179.974
   5   12   38   C3   C3   HC     90.001
  36   12   37   HC   C3   HC     90.000
  36   12   38   HC   C3   HC    179.974
  37   12   38   HC   C3   HC     90.000
  10   13   18   C3  Car  Car    120.001
  10   13   19   C3  Car  Car    119.998
  18   13   19  Car  Car  Car    120.001
   9   14   42   C3   C3   HC     89.996
   9   14   43   C3   C3   HC    179.974
   9   14   44   C3   C3   HC     90.004
  42   14   43   HC   C3   HC     90.000
  42   14   44   HC   C3   HC    179.974
  43   14   44   HC   C3   HC     90.000
   8   15   39   C3   C3   HC     90.000
   8   15   40   C3   C3   HC    179.974
   8   15   41   C3   C3   HC     90.000
  39   15   40   HC   C3   HC     90.000
  39   15   41   HC   C3   HC    179.974
  40   15   41   HC   C3   HC     90.000
  11   16   22   C3  Car  Car    120.001
  11   16   23   C3  Car  Car    119.998
  22   16   23  Car  Car  Car    120.001
  11   17   24   C3   C3   C3    120.001
  11   17   45   C3   C3   HC    159.996
  11   17   46   C3   C3   HC     79.997
  24   17   45   C3   C3   HC     80.004
  24   17   46   C3   C3   HC    160.002
  45   17   46   HC   C3   HC     79.999
  13   18   22  Car  Car  Car    120.001
  13   18   47  Car  Car   HC    119.998
  22   18   47  Car  Car   HC    120.002
  13   19   23  Car  Car  Car    119.998
  13   19   48  Car  Car   HC    120.000
  23   19   48  Car  Car   HC    120.002
  11   20   52   C3   C3   HC     90.000
  11   20   53   C3   C3   HC    179.974
  11   20   54   C3   C3   HC     90.000
  52   20   53   HC   C3   HC     90.000
  52   20   54   HC   C3   HC    179.974
  53   20   54   HC   C3   HC     90.000
  11   21   49   C3   C3   HC     90.000
  11   21   50   C3   C3   HC    179.974
  11   21   51   C3   C3   HC     90.000
  49   21   50   HC   C3   HC     90.000
  49   21   51   HC   C3   HC    179.974
  50   21   51   HC   C3   HC     90.000
  16   22   18  Car  Car  Car    120.001
  16   22   55  Car  Car   HC    119.998
  18   22   55  Car  Car   HC    120.002
  16   23   19  Car  Car  Car    119.998
  16   23   56  Car  Car   HC    120.000
  19   23   56  Car  Car   HC    120.002
  17   24   57   C3   C3   HC     90.001
  17   24   58   C3   C3   HC    179.974
  17   24   59   C3   C3   HC     89.999
  57   24   58   HC   C3   HC     90.000
  57   24   59   HC   C3   HC    179.974
  58   24   59   HC   C3   HC     90.000


TORSION ANGLES
   9    2    8    7      0.026
   9    2    8   15    179.974
   9    2    8   32    179.974
   8    2    9    6      0.026
   8    2    9   14    179.974
   8    2    9   33    179.974
   6    3    4    5      0.026
   6    3    4   25    179.974
   6    3    4   26    179.974
   7    3    4    5    179.974
   7    3    4   25      0.026
   7    3    4   26      0.026
   4    3    6    9    179.974
   4    3    6   28      0.026
   4    3    6   29      0.026
   7    3    6    9      0.026
   7    3    6   28    179.974
   7    3    6   29    179.974
   4    3    7    8    179.974
   4    3    7   30      0.026
   4    3    7   31      0.026
   6    3    7    8      0.026
   6    3    7   30    179.974
   6    3    7   31    179.974
   3    4    5   10    179.974
   3    4    5   12      0.026
   3    4    5   27      0.026
  25    4    5   10      0.026
  25    4    5   12    179.974
  25    4    5   27    179.974
  26    4    5   10      0.026
  26    4    5   12    179.974
  26    4    5   27    179.974
   4    5   10   13    179.974
   4    5   10   34      0.026
   4    5   10   35      0.026
  12    5   10   13      0.026
  12    5   10   34    179.974
  12    5   10   35    179.974
  27    5   10   13    179.974
  27    5   10   34      0.026
  27    5   10   35      0.026
   4    5   12   36    179.974
   4    5   12   37    179.974
   4    5   12   38      0.026
  10    5   12   36      0.026
  10    5   12   37      0.026
  10    5   12   38    179.974
  27    5   12   36    179.974
  27    5   12   37    179.974
  27    5   12   38      0.026
   3    6    9    2      0.026
   3    6    9   14    179.974
   3    6    9   33    179.974
  28    6    9    2    179.974
  28    6    9   14      0.026
  28    6    9   33      0.026
  29    6    9    2    179.974
  29    6    9   14      0.026
  29    6    9   33      0.026
   3    7    8    2      0.026
   3    7    8   15    179.974
   3    7    8   32      0.026
  30    7    8    2    179.974
  30    7    8   15      0.026
  30    7    8   32    179.974
  31    7    8    2    179.974
  31    7    8   15      0.026
  31    7    8   32    179.974
   2    8   15   39      0.026
   2    8   15   40    180.000
   2    8   15   41    179.974
   7    8   15   39    179.974
   7    8   15   40    180.000
   7    8   15   41      0.026
  32    8   15   39      0.026
  32    8   15   40    180.000
  32    8   15   41    179.974
   2    9   14   42    179.974
   2    9   14   43    179.974
   2    9   14   44      0.026
   6    9   14   42      0.026
   6    9   14   43      0.026
   6    9   14   44    179.974
  33    9   14   42    179.974
  33    9   14   43    179.974
  33    9   14   44      0.026
   5   10   13   18    179.974
   5   10   13   19      0.026
  34   10   13   18      0.026
  34   10   13   19    179.974
  35   10   13   18      0.026
  35   10   13   19    179.974
  17   11   16   22    180.000
  17   11   16   23    180.000
  20   11   16   22      0.026
  20   11   16   23    179.974
  21   11   16   22    179.974
  21   11   16   23      0.026
  16   11   17   24    180.000
  16   11   17   45    180.000
  16   11   17   46    180.000
  20   11   17   24      0.026
  20   11   17   45    179.974
  20   11   17   46    179.974
  21   11   17   24    179.974
  21   11   17   45      0.026
  21   11   17   46      0.026
  16   11   20   52      0.026
  16   11   20   53    180.000
  16   11   20   54    179.974
  17   11   20   52    179.974
  17   11   20   53    180.000
  17   11   20   54      0.026
  21   11   20   52    180.000
  21   11   20   53    180.000
  21   11   20   54    180.000
  16   11   21   49    179.974
  16   11   21   50    180.000
  16   11   21   51      0.026
  17   11   21   49      0.026
  17   11   21   50    180.000
  17   11   21   51    179.974
  20   11   21   49    180.000
  20   11   21   50    180.000
  20   11   21   51    180.000
  10   13   18   22    179.974
  10   13   18   47      0.026
  19   13   18   22      0.026
  19   13   18   47    179.974
  10   13   19   23    179.974
  10   13   19   48      0.026
  18   13   19   23      0.026
  18   13   19   48    179.974
  11   16   22   18    179.974
  11   16   22   55      0.026
  23   16   22   18      0.026
  23   16   22   55    179.974
  11   16   23   19    179.974
  11   16   23   56      0.026
  22   16   23   19      0.026
  22   16   23   56    179.974
  11   17   24   57      0.026
  11   17   24   58    179.974
  11   17   24   59    179.974
  45   17   24   57    179.974
  45   17   24   58      0.026
  45   17   24   59      0.026
  46   17   24   57    179.974
  46   17   24   58      0.026
  46   17   24   59      0.026
  13   18   22   16      0.026
  13   18   22   55    179.974
  47   18   22   16    179.974
  47   18   22   55      0.026
  13   19   23   16      0.026
  13   19   23   56    179.974
  48   19   23   16    179.974
  48   19   23   56      0.026


CHIRAL ATOMS
  48   19   23   56      0.026
  48   19   23   56      0.026
  48   19   23   56      0.026