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(2R,6S)-4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-propyl]-2,6-dimethyl-morpholine
(2R,6S)-4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-propyl]-2,6-dimethyl-morpholine ID: AN-14394
CAS:78613-35-1
Supplier:AN PharmaTech Co Ltd

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SMILES:O1[C@@H](CN(CC(Cc2ccc(C(CC)(C)C)cc2)C)C[C@@H]1C)C	54260
FORMULA: C21H35NO
MASS: 317.5087
EXACT MASS: 317.2718647
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.0000     0.0000 
   C   3    3.0000     1.0000     0.0000 
   C   4    3.6056     1.7320     1.0000     0.0000 
   C   5    1.7320     1.0001     1.7321     2.0000     0.0000 
   C   6    1.7321     1.0000     1.7320     2.6457     1.7321     0.0000 
   C   7    1.0000     1.7321     2.6458     3.4641     2.0000     1.0001 
   C   8    1.0000     1.7321     2.6458     3.0000     1.0000     2.0000 
   C   9    4.5826     2.6457     1.7320     1.0000     3.0000     3.4641 
   C  10    7.8102     6.2450     5.5678     4.5826     6.0828     7.2111 
   C  11    3.4641     2.0000     1.7320     1.0000     1.7321     3.0000 
   C  12    5.2915     3.4641     2.6457     1.7320     3.6056     4.3589 
   C  13    1.7320     2.6458     3.4641     3.6055     1.7320     3.0000 
   C  14    1.7320     2.6458     3.4641     4.3589     3.0000     1.7321 
   C  15    6.9282     5.2915     4.5826     3.6055     5.1962     6.2450 
   C  16    8.7178     7.2111     6.5574     5.5678     7.0000     8.1853 
   C  17    6.2450     4.3589     3.4641     2.6458     4.5827     5.1962 
   C  18    5.1962     3.6055     3.0000     2.0000     3.4641     4.5826 
   C  19    8.3023     6.5927     5.8079     4.8715     6.5724     7.5142 
   C  20    7.4210     6.0445     5.5016     4.5020     5.7275     7.0382 
   C  21    7.0000     5.1962     4.3589     3.4641     5.2916     6.0828 
   C  22    6.0828     4.5826     4.0000     3.0000     4.3589     5.5678 
   C  23    9.5394     7.9373     7.2111     6.2450     7.8103     8.8882 
   H  24    2.9562     1.0813     0.6200     1.5967     2.0296     1.4156 
   H  25    3.5889     1.5968     0.6200     1.0812     2.3452     2.1829 
   H  26    4.2394     2.5045     1.8500     0.8500     2.5343     3.4601 
   H  27    2.3452     1.0813     1.4156     1.4331     0.6201     2.0296 
   H  28    2.0296     1.5968     2.1829     2.1943     0.6200     2.3452 
   H  29    2.0295     1.5967     2.1829     3.1512     2.3451     0.6200 
   H  30    2.3452     1.0812     1.4155     2.4059     2.0296     0.6200 
   H  31    0.8743     2.2901     3.2380     3.6200     1.6199     2.3716 
   H  32    0.8743     2.2901     3.2380     4.0130     2.3716     1.6200 
   H  33    4.3998     2.4059     1.4156     1.0813     2.9562     3.1022 
   H  34    5.1245     3.1512     2.1829     1.5968     3.5889     3.8917 
   H  35    4.0841     2.5558     2.1114     1.1766     2.3521     3.5505 
   H  36    3.5191     2.3716     2.2901     1.6200     1.8397     3.3533 
   H  37    2.8442     1.4956     1.5200     1.1766     1.1121     2.4825 
   H  38    1.5200     2.9083     3.8121     4.6403     3.0634     2.1115 
   H  39    2.2901     3.2380     4.0131     4.9340     3.6200     2.2901 
   H  40    2.1114     2.5121     3.1995     4.1517     3.0634     1.5201 
   H  41    2.1114     2.5121     3.1995     3.1879     1.5200     3.0634 
   H  42    2.2900     3.2380     4.0130     4.0601     2.2900     3.6200 
   H  43    1.5200     2.9083     3.8121     4.0750     2.1114     3.0634 
   H  44    9.1781     7.7334     7.1127     6.1177     7.4737     8.7162 
   H  45    8.3923     6.9829     6.3974     5.3983     6.6942     7.9716 
   H  46    6.4222     4.4726     3.5192     2.8292     4.8213     5.2330 
   H  47    4.6695     3.2069     2.7431     1.7732     2.9436     4.2029 
   H  48    7.7867     6.0339     5.2246     4.3054     6.0631     6.9403 
   H  49    8.6515     6.8728     6.0357     5.1410     6.9313     7.7612 
   H  50    8.8313     7.1616     6.3982     5.4494     7.0993     8.0950 
   H  51    8.0085     6.6603     6.1215     5.1218     6.3252     7.6551 
   H  52    7.2388     6.0010     5.5514     4.5627     5.5863     7.0009 
   H  53    6.8393     5.4296     4.8818     3.8823     5.1350     6.4219 
   H  54    7.5792     5.7415     4.8708     4.0130     5.8809     6.6018 
   H  55    6.1648     4.8212     4.3433     3.3533     4.4727     5.8193 
   H  56    9.2164     7.5460     6.7780     5.8323     7.4844     8.4775 
   H  57   10.0650     8.4157     7.6540     6.7056     8.3334     9.3512 
   H  58    9.8908     8.3563     7.6699     6.6898     8.1703     9.3221 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    4.3589     4.0000     0.0000 
   C  10    7.9373     6.9282     4.0000     0.0000 
   C  11    3.6056     2.6458     1.7320     4.3589     0.0000 
   C  12    5.1962     4.5826     1.0000     3.0000     2.0000     0.0000 
   C  13    2.6457     1.0000     4.5826     7.0000     3.0000     5.0000 
   C  14    1.0000     2.6457     5.1962     8.8882     4.5826     6.0828 
   C  15    7.0000     6.0828     3.0000     1.0000     3.4641     2.0000 
   C  16    8.8882     7.8102     5.0000     1.0000     5.2915     4.0000 
   C  17    6.0828     5.5678     1.7321     2.6458     3.0000     1.0001 
   C  18    5.2915     4.3589     1.7320     2.6457     1.7320     1.0000 
   C  19    8.3184     7.4785     4.1231     1.0000     4.8439     3.1623 
   C  20    7.6684     6.4863     4.1231     1.0000     4.0664     3.1623 
   C  21    6.9283     6.2450     2.6458     1.7321     3.6056     1.7321 
   C  22    6.2450     5.1962     2.6457     1.7320     2.6457     1.7320 
   C  23    9.6437     8.6603     5.5678     1.7321     6.0828     4.5826 
   H  24    2.4060     2.8114     2.1828     6.1176     2.3451     3.1512 
   H  25    3.1513     3.2657     1.4155     5.3983     2.0295     2.4059 
   H  26    4.2217     3.5032     0.9341     3.7513     0.9341     1.0828 
   H  27    2.5069     1.5968     2.4266     5.4853     1.1266     2.9897 
   H  28    2.5069     1.0813     3.1671     5.8507     1.6278     3.6167 
   H  29    1.0813     2.5068     3.8917     7.7334     3.5889     4.8281 
   H  30    1.5969     2.5069     3.1021     6.9829     2.9561     4.0506 
   H  31    1.8396     0.6200     4.6200     7.4716     3.2380     5.1927 
   H  32    0.6200     1.8397     4.9340     8.4157     4.0601     5.7415 
   H  33    4.0507     3.9400     0.6200     4.5875     2.0295     1.5967 
   H  34    4.8282     4.5875     0.6200     3.9399     2.3451     1.0812 
   H  35    4.2047     3.2567     1.5200     3.7437     0.6200     1.4955 
   H  36    3.8242     2.6008     2.2901     4.3318     0.6201     2.3716 
   H  37    3.0148     2.0404     2.1114     4.9753     0.6200     2.5557 
   H  38    1.1766     2.5121     5.5323     9.0888     4.7390     6.3723 
   H  39    1.6200     3.2380     5.7415     9.4829     5.1927     6.6486 
   H  40    1.1766     2.9083     4.9156     8.7271     4.5067     5.8449 
   H  41    2.9083     1.1766     4.1339     6.3870     2.4825     4.4738 
   H  42    3.2379     1.6199     5.0104     7.1150     3.3533     5.3370 
   H  43    2.5121     1.1766     5.0675     7.6141     3.5505     5.5456 
   H  44    9.3908     8.2506     5.5866     1.5967     5.7858     4.5875 
   H  45    8.6245     7.4597     4.9302     1.0812     5.0192     3.9399 
   H  46    6.1648     5.8193     1.8397     3.1408     3.3533     1.4158 
   H  47    4.8399     3.7980     1.8396     3.1407     1.2347     1.4157 
   H  48    7.7641     6.9909     3.5248     1.1766     4.3461     2.5815 
   H  49    8.6048     7.8644     4.3156     1.6200     5.2188     3.4095 
   H  50    8.8815     7.9845     4.7270     1.1766     5.3673     3.7556 
   H  51    8.2758     7.0637     4.7270     1.1766     4.6776     3.7556 
   H  52    7.5635     6.2770     4.3156     1.6200     4.0016     3.4095 
   H  53    7.0632     5.9174     3.5248     1.1766     3.4584     2.5815 
   H  54    7.4716     6.8429     3.1408     1.8397     4.2100     2.2901 
   H  55    6.4222     5.2330     3.1407     1.8396     2.8292     2.2900 
   H  56    9.2665     8.3676     5.1005     1.5201     5.7523     4.1339 
   H  57   10.1334     9.2024     5.9770     2.2901     6.6018     5.0104 
   H  58   10.0450     8.9863     6.0625     2.1114     6.4560     5.0675 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.4641     0.0000 
   C  15    6.2450     7.9373     0.0000 
   C  16    7.8102     9.8489     2.0000     0.0000 
   C  17    6.0000     6.9283     1.7321     3.6056     0.0000 
   C  18    4.5826     6.2450     1.7320     3.6055     1.7321     0.0000 
   C  19    7.6590     9.2302     1.4142     1.4142     2.5036     3.1196 
   C  20    6.4296     8.6489     1.4142     1.4142     3.1197     2.5036 
   C  21    6.5575     7.8103     1.0001     2.6458     1.0000     2.0000 
   C  22    5.2915     7.2111     1.0000     2.6457     2.0000     1.0000 
   C  23    8.7178    10.5830     2.6458     1.0001     4.0000     4.3589 
   H  24    3.7221     3.1022     5.1245     7.1127     3.8917     3.5889 
   H  25    4.0761     3.8918     4.3997     6.3974     3.1021     2.9561 
   H  26    3.9271     5.1500     2.7879     4.7300     2.0791     1.1500 
   H  27    2.1829     3.4978     4.5868     6.4139     3.9716     2.8555 
   H  28    1.4156     3.4978     5.0180     6.7291     4.6148     3.3038 
   H  29    3.4977     1.4156     6.7558     8.7162     5.6148     5.1245 
   H  30    3.4977     2.1830     5.9981     7.9716     4.8210     4.3997 
   H  31    0.8743     2.6008     6.6486     8.3333     6.1810     4.9340 
   H  32    2.6008     0.8743     7.4970     9.3512     6.6487     5.7745 
   H  33    4.6339     4.8211     3.5889     5.5866     2.1829     2.3451 
   H  34    5.1957     5.6149     2.9561     4.9303     1.4155     2.0295 
   H  35    3.5505     5.1724     2.8441     4.6842     2.4825     1.1121 
   H  36    2.7430     4.8212     3.5192     5.2100     3.3533     1.8397 
   H  37    2.4825     4.0019     4.0840     5.9014     3.5505     2.3520 
   H  38    3.1995     0.6200     8.1613    10.0303     7.2581     6.4446 
   H  39    4.0130     0.6200     8.5255    10.4482     7.4716     6.8428 
   H  40    3.8121     0.6200     7.7565     9.7038     6.6400     6.1022 
   H  41    0.6200     3.8121     5.6451     7.1916     5.4719     4.0019 
   H  42    0.6200     4.0130     6.4221     7.8742     6.3328     4.8212 
   H  43    0.6200     3.1995     6.8484     8.4290     6.5443     5.1724 
   H  44    8.1928    10.3611     2.5913     0.6200     4.2225     4.1347 
   H  45    7.3957     9.6003     1.9883     0.6199     3.6997     3.4019 
   H  46    6.3328     6.9559     2.2901     4.0601     0.6200     2.2901 
   H  47    3.9755     5.8142     2.2900     4.0601     2.2901     0.6200 
   H  48    7.2266     8.6626     1.0698     1.9038     1.8848     2.6488 
   H  49    8.1027     9.4891     1.9038     1.9038     2.6112     3.5256 
   H  50    8.1157     9.8041     1.9038     1.0698     3.1229     3.6354 
   H  51    6.9673     9.2590     1.9038     1.0698     3.6355     3.1229 
   H  52    6.1314     8.5561     1.9038     1.9038     3.5257     2.6112 
   H  53    5.9080     8.0404     1.0698     1.9038     2.6489     1.8848 
   H  54    7.1725     8.3334     1.4158     2.6009     1.4158     2.6200 
   H  55    5.2100     7.4071     1.4157     2.6008     2.6200     1.4158 
   H  56    8.4906    10.1880     2.2884     1.1767     3.4769     4.0204 
   H  57    9.2900    11.0592     3.1408     1.6200     4.3433     4.8708 
   H  58    8.9822    10.9989     3.0874     1.1766     4.5475     4.7546 

              C  19      C  20      C  21      C  22      C  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.0000     0.0000 
   C  21    1.5060     2.3942     0.0000 
   C  22    2.3942     1.5060     1.7321     0.0000 
   C  23    1.5060     2.3942     3.0000     3.4641     0.0000 
   H  24    6.3034     6.0924     4.8281     4.5875     7.7334     0.0000 
   H  25    5.5365     5.4435     4.0506     3.9399     6.9829     0.7971 
   H  26    4.0993     3.6525     2.7609     2.1500     5.4335     2.4418 
   H  27    5.9571     5.1662     4.6716     3.7688     7.2093     1.8728 
   H  28    6.4205     5.4071     5.2293     4.1189     7.5826     2.5704 
   H  29    7.9904     7.6004     6.5339     6.1177     9.3908     1.7321 
   H  30    7.2114     6.8934     5.7469     5.3983     8.6244     0.9350 
   H  31    8.0515     6.9873     6.8429     5.7415     9.2024     3.3548 
   H  32    8.8371     8.0966     7.4716     6.7056    10.1334     3.0232 
   H  33    4.6498     4.7402     3.1512     3.2657     6.1177     1.7320 
   H  34    3.9117     4.2124     2.4059     2.8113     5.3983     2.5291 
   H  35    4.2260     3.4887     3.0148     2.0403     5.4651     2.7298 
   H  36    4.9298     3.9021     3.8243     2.6009     6.0634     2.8867 
   H  37    5.4623     4.6550     4.2047     3.2566     6.7008     2.0775 
   H  38    9.4891     8.7846     8.1044     7.3846    10.8019     3.5241 
   H  39    9.8041     9.2590     8.3705     7.8144    11.1707     3.6063 
   H  40    9.0066     8.5561     7.5558     7.0878    10.3966     2.7563 
   H  41    7.0593     5.8098     5.9890     4.6842     8.1023     3.5475 
   H  42    7.8331     6.4722     6.8180     5.4428     8.8105     4.3066 
   H  43    8.2617     7.0494     7.1345     5.9015     9.3340     3.9865 
   H  44    1.9934     1.7679     3.2657     3.1512     1.0813     7.6779 
   H  45    1.8412     0.9736     2.8113     2.4059     1.5968     6.9750 
   H  46    2.8388     3.6974     1.4158     2.6200     4.3433     3.8653 
   H  47    3.6973     2.8387     2.6200     1.4158     4.8708     3.3572 
   H  48    0.6200     2.0939     0.8901     2.0631     2.1242     5.7075 
   H  49    0.6200     2.6200     1.6788     2.9035     1.6788     6.4937 
   H  50    0.6200     2.0939     2.1242     2.8242     0.8901     6.9036 
   H  51    2.0939     0.6200     2.8243     2.1242     2.0632     6.7115 
   H  52    2.6200     0.6200     2.9036     1.6788     2.9036     6.1588 
   H  53    2.0939     0.6200     2.0632     0.8901     2.8243     5.4736 
   H  54    1.2564     2.6815     0.6200     2.2901     2.7431     5.3074 
   H  55    2.6814     1.2564     2.2901     0.6200     3.5192     4.9496 
   H  56    0.9791     2.3797     2.4825     3.1995     0.6200     7.2795 
   H  57    1.8543     3.0084     3.3533     4.0130     0.6200     8.1562 
   H  58    2.0847     2.5633     3.5505     3.8121     0.6200     8.2092 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    1.8462     0.0000 
   H  27    1.9785     1.9154     0.0000 
   H  28    2.7657     2.5358     0.7971     0.0000 
   H  29    2.5292     3.9866     2.6463     2.9532     0.0000 
   H  30    1.7320     3.2523     2.1562     2.6464     0.7971     0.0000 
   H  31    3.8564     4.1114     2.2128     1.6310     2.7883     2.9379 
   H  32    3.7600     4.7386     2.9379     2.7884     1.6309     2.2129 
   H  33    0.9350     1.4255     2.4518     3.2391     3.4641     2.6670 
   H  34    1.7320     1.4963     3.0298     3.7809     4.2612     3.4641 
   H  35    2.2545     0.5866     1.7447     2.2179     4.1207     3.4423 
   H  36    2.6367     1.4036     1.3368     1.5204     3.9640     3.4017 
   H  37    1.9808     1.4729     0.5129     1.0721     3.0901     2.5289 
   H  38    4.2936     5.3903     3.6212     3.4821     1.9301     2.6421 
   H  39    4.4027     5.7377     4.1144     4.1143     1.8777     2.6727 
   H  40    3.5532     4.9759     3.4820     3.6212     1.0254     1.8217 
   H  41    3.7891     3.4165     1.8217     1.0254     3.6211     3.4820 
   H  42    4.6160     4.2871     2.6726     1.8777     4.1142     4.1143 
   H  43    4.4318     4.4655     2.6421     1.9300     3.4820     3.6212 
   H  44    6.9750     5.2733     6.9000     7.1704     9.2581     8.5236 
   H  45    6.2946     4.5495     6.1269     6.3803     8.5236     7.8013 
   H  46    3.0690     2.4195     4.2290     4.9257     5.5966     4.7998 
   H  47    2.8258     0.9969     2.3539     2.7288     4.7740     4.0920 
   H  48    4.9347     3.5585     5.4443     5.9478     7.4046     6.6213 
   H  49    5.7091     4.4162     6.3118     6.8238     8.2070     7.4175 
   H  50    6.1420     4.6599     6.4887     6.9166     8.5810     7.8061 
   H  51    6.0582     4.2721     5.7710     5.9877     8.2191     7.5133 
   H  52    5.5623     3.7271     5.0583     5.2101     7.5833     6.9103 
   H  53    4.8300     3.0330     4.5654     4.8364     6.9820     6.2735 
   H  54    4.5177     3.3466     5.2617     5.8364     7.0292     6.2361 
   H  55    4.3562     2.5179     3.9169     4.1530     6.3937     5.7092 
   H  56    6.5146     5.0449     6.8740     7.2985     8.9609     8.1845 
   H  57    7.3908     5.9127     7.7263     8.1286     9.8369     9.0610 
   H  58    7.4734     5.8620     7.5805     7.9052     9.8410     9.0854 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    1.7320     0.0000 
   H  33    4.5535     4.6496     0.0000 
   H  34    5.2069     5.4201     0.7971     0.0000 
   H  35    3.8414     4.6722     1.9808     2.0774     0.0000 
   H  36    3.1407     4.2100     2.6368     2.8867     0.8769     0.0000 
   H  37    2.6423     3.4508     2.2546     2.7298     1.2399     0.8768 
   H  38    2.3257     0.6950     5.2069     5.9908     5.3476     4.9027 
   H  39    3.1407     1.4158     5.3372     6.1339     5.7779     5.4400 
   H  40    2.9813     1.3470     4.4881     5.2851     5.0675     4.8188 
   H  41    1.3470     2.9813     4.2493     4.7529     3.0000     2.1650 
   H  42    1.4158     3.1407     5.1153     5.6292     3.8536     2.9999 
   H  43    0.6950     2.3258     5.0655     5.6718     4.1208     3.3362 
   H  44    8.7550     9.8369     6.1798     5.5364     5.1888     5.6596 
   H  45    7.9604     9.0611     5.5364     4.9380     4.4304     4.8732 
   H  46    6.4384     6.7523     2.1355     1.3414     2.8995     3.7760 
   H  47    4.3589     5.2915     2.3980     2.2859     0.6534     1.2347 
   H  48    7.5754     8.2942     4.0402     3.2954     3.7349     4.4846 
   H  49    8.4505     9.1436     4.7940     4.0211     4.6094     5.3610 
   H  50    8.5460     9.3895     5.2619     4.5291     4.7474     5.4095 
   H  51    7.5519     8.6962     5.3419     4.7911     4.1048     4.4929 
   H  52    6.7443     7.9556     4.9353     4.4862     3.4688     3.7466 
   H  53    6.4329     7.5003     4.1438     3.6472     2.8742     3.3219 
   H  54    7.4443     8.0261     3.5955     2.8161     3.6260     4.4422 
   H  55    5.7415     6.8428     3.7574     3.3700     2.2732     2.6458 
   H  56    8.9275     9.7751     5.6289     4.8882     5.1324     5.7897 
   H  57    9.7539    10.6366     6.5026     5.7571     5.9822     6.6131 
   H  58    9.5099    10.5160     6.6284     5.9295     5.8449     6.3858 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    4.1339     0.0000 
   H  39    4.6167     0.8768     0.0000 
   H  40    3.9636     1.2400     0.8768     0.0000 
   H  41    2.0235     3.6267     4.3934     4.0840     0.0000 
   H  42    2.8995     3.6980     4.5379     4.3934     0.8768     0.0000 
   H  43    3.0000     2.8441     3.6980     3.6267     1.2399     0.8768 
   H  44    6.3873    10.5212    10.9654    10.2361     7.5728     8.2181 
   H  45    5.6147     9.7476    10.2077     9.4913     6.7758     7.4238 
   H  46    3.8536     7.3301     7.4716     6.6188     5.8349     6.7065 
   H  47    1.8414     5.9725     6.4222     5.7190     3.3890     4.2029 
   H  48    4.9594     8.9379     9.2302     8.4240     6.6381     7.4368 
   H  49    5.8304     9.7805    10.0482     9.2302     7.5129     8.3077 
   H  50    5.9873    10.0482    10.3833     9.5939     7.5082     8.2570 
   H  51    5.2611     9.3859     9.8702     9.1723     6.3476     6.9792 
   H  52    4.5565     8.6489     9.1723     8.5075     5.5130     6.1220 
   H  53    4.0531     8.1862     8.6489     7.9405     5.2899     5.9865 
   H  54    4.8031     8.6482     8.8822     8.0541     6.6065     7.4373 
   H  55    3.4074     7.5320     8.0196     7.3326     4.5920     5.2915 
   H  56    6.3723    10.4336    10.7663     9.9749     7.8816     8.6244 
   H  57    7.2216    11.2983    11.6393    10.8503     8.6767     9.3975 
   H  58    7.0686    11.1924    11.5942    10.8374     8.3631     9.0354 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    8.8128     0.0000 
   H  45    8.0157     0.7971     0.0000 
   H  46    6.8507     4.6801     4.2144     0.0000 
   H  47    4.5708     4.5512     3.7861     2.8059     0.0000 
   H  48    7.8201     2.5140     2.2092     2.2268     3.2512     0.0000 
   H  49    8.6967     2.4209     2.4024     2.8184     4.1272     0.8768 
   H  50    8.7250     1.5478     1.6334     3.4536     4.1879     1.2400 
   H  51    7.5871     1.2440     0.4752     4.1880     3.4536     2.3532 
   H  52    6.7502     2.1183     1.3473     4.1273     2.8184     2.6924 
   H  53    6.5263     2.3393     1.5617     3.2512     2.2268     2.0000 
   H  54    7.7467     3.2087     2.8966     1.6200     3.2400     0.6981 
   H  55    5.8285     3.0175     2.2280     3.2400     1.6200     2.4696 
   H  56    9.1010     1.5201     1.7880     3.7799     4.5703     1.5929 
   H  57    9.9042     1.6309     2.2128     4.6200     5.4053     2.4632 
   H  58    9.6014     0.8924     1.6343     4.9203     5.2278     2.6937 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.8768     0.0000 
   H  51    2.6924     2.0000     0.0000 
   H  52    3.2400     2.6924     0.8768     0.0000 
   H  53    2.6924     2.3532     1.2400     0.8768     0.0000 
   H  54    1.2096     1.8543     3.0084     3.2488     2.4697     0.0000 
   H  55    3.2487     3.0083     1.8543     1.2096     0.6980     2.8059 
   H  56    1.0605     0.3857     2.2030     2.9573     2.6910     2.1650 
   H  57    1.8230     1.2564     2.6815     3.5234     3.4175     3.0000 
   H  58    2.2980     1.4848     2.1045     2.9807     3.0791     3.3362 

              H  55      H  56      H  57      H  58
              --------------------------------------------
   H  55    0.0000 
   H  56    3.3596     0.0000 
   H  57    4.1077     0.8768     0.0000 
   H  58    3.7750     1.2399     0.8768     0.0000 



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


BOND ANGLES
   7    1    8   C3   O3   C3    120.001
   3    2    5   C3   N3   C3    120.001
   3    2    6   C3   N3   C3    120.001
   5    2    6   C3   N3   C3    119.998
   2    3    4   N3   C3   C3    120.001
   2    3   24   N3   C3   HC     80.004
   2    3   25   N3   C3   HC    160.002
   4    3   24   C3   C3   HC    159.996
   4    3   25   C3   C3   HC     79.997
  24    3   25   HC   C3   HC     79.999
   3    4    9   C3   C3   C3    120.001
   3    4   11   C3   C3   C3    120.001
   3    4   26   C3   C3   HC    179.974
   9    4   11   C3   C3   C3    119.999
   9    4   26   C3   C3   HC     59.999
  11    4   26   C3   C3   HC     59.999
   2    5    8   N3   C3   C3    120.001
   2    5   27   N3   C3   HC     79.996
   2    5   28   N3   C3   HC    159.993
   8    5   27   C3   C3   HC    160.003
   8    5   28   C3   C3   HC     80.006
  27    5   28   HC   C3   HC     79.997
   2    6    7   N3   C3   C3    119.998
   2    6   29   N3   C3   HC    160.004
   2    6   30   N3   C3   HC     79.997
   7    6   29   C3   C3   HC     79.998
   7    6   30   C3   C3   HC    160.005
  29    6   30   HC   C3   HC     80.007
   1    7    6   O3   C3   C3    120.001
   1    7   14   O3   C3   C3    120.001
   1    7   32   O3   C3   HC     60.002
   6    7   14   C3   C3   C3    119.998
   6    7   32   C3   C3   HC    179.974
  14    7   32   C3   C3   HC     59.998
   1    8    5   O3   C3   C3    120.001
   1    8   13   O3   C3   C3    120.001
   1    8   31   O3   C3   HC     59.998
   5    8   13   C3   C3   C3    119.999
   5    8   31   C3   C3   HC    179.974
  13    8   31   C3   C3   HC     60.002
   4    9   12   C3   C3  Car    120.001
   4    9   33   C3   C3   HC     80.004
   4    9   34   C3   C3   HC    160.002
  12    9   33  Car   C3   HC    159.996
  12    9   34  Car   C3   HC     79.997
  33    9   34   HC   C3   HC     79.999
  15   10   16  Car   C3   C3    179.974
  15   10   19  Car   C3   C3     90.000
  15   10   20  Car   C3   C3     90.000
  16   10   19   C3   C3   C3     90.000
  16   10   20   C3   C3   C3     90.000
  19   10   20   C3   C3   C3    179.974
   4   11   35   C3   C3   HC     89.999
   4   11   36   C3   C3   HC    179.974
   4   11   37   C3   C3   HC     90.001
  35   11   36   HC   C3   HC     90.005
  35   11   37   HC   C3   HC    179.974
  36   11   37   HC   C3   HC     89.995
   9   12   17   C3  Car  Car    119.998
   9   12   18   C3  Car  Car    120.001
  17   12   18  Car  Car  Car    120.001
   8   13   41   C3   C3   HC     89.999
   8   13   42   C3   C3   HC    179.974
   8   13   43   C3   C3   HC     90.001
  41   13   42   HC   C3   HC     90.000
  41   13   43   HC   C3   HC    179.974
  42   13   43   HC   C3   HC     90.000
   7   14   38   C3   C3   HC     90.000
   7   14   39   C3   C3   HC    179.974
   7   14   40   C3   C3   HC     90.000
  38   14   39   HC   C3   HC     90.000
  38   14   40   HC   C3   HC    179.974
  39   14   40   HC   C3   HC     90.000
  10   15   21   C3  Car  Car    119.998
  10   15   22   C3  Car  Car    120.001
  21   15   22  Car  Car  Car    120.001
  10   16   23   C3   C3   C3    119.998
  10   16   44   C3   C3   HC    160.004
  10   16   45   C3   C3   HC     79.995
  23   16   44   C3   C3   HC     79.998
  23   16   45   C3   C3   HC    160.007
  44   16   45   HC   C3   HC     80.009
  12   17   21  Car  Car  Car    119.998
  12   17   46  Car  Car   HC    120.000
  21   17   46  Car  Car   HC    120.002
  12   18   22  Car  Car  Car    120.001
  12   18   47  Car  Car   HC    119.998
  22   18   47  Car  Car   HC    120.002
  10   19   48   C3   C3   HC     90.000
  10   19   49   C3   C3   HC    179.974
  10   19   50   C3   C3   HC     90.000
  48   19   49   HC   C3   HC     90.000
  48   19   50   HC   C3   HC    179.974
  49   19   50   HC   C3   HC     90.000
  10   20   51   C3   C3   HC     90.000
  10   20   52   C3   C3   HC    179.974
  10   20   53   C3   C3   HC     90.000
  51   20   52   HC   C3   HC     90.000
  51   20   53   HC   C3   HC    179.974
  52   20   53   HC   C3   HC     90.000
  15   21   17  Car  Car  Car    119.998
  15   21   54  Car  Car   HC    120.000
  17   21   54  Car  Car   HC    120.002
  15   22   18  Car  Car  Car    120.001
  15   22   55  Car  Car   HC    119.998
  18   22   55  Car  Car   HC    120.002
  16   23   56   C3   C3   HC     90.004
  16   23   57   C3   C3   HC    179.974
  16   23   58   C3   C3   HC     89.996
  56   23   57   HC   C3   HC     90.000
  56   23   58   HC   C3   HC    179.974
  57   23   58   HC   C3   HC     90.000


TORSION ANGLES
   8    1    7    6      0.026
   8    1    7   14    179.974
   8    1    7   32    179.974
   7    1    8    5      0.026
   7    1    8   13    179.974
   7    1    8   31    179.974
   5    2    3    4      0.026
   5    2    3   24    179.974
   5    2    3   25    179.974
   6    2    3    4    179.974
   6    2    3   24      0.026
   6    2    3   25      0.026
   3    2    5    8    179.974
   3    2    5   27      0.026
   3    2    5   28      0.026
   6    2    5    8      0.026
   6    2    5   27    179.974
   6    2    5   28    179.974
   3    2    6    7    179.974
   3    2    6   29      0.026
   3    2    6   30      0.026
   5    2    6    7      0.026
   5    2    6   29    179.974
   5    2    6   30    179.974
   2    3    4    9    179.974
   2    3    4   11      0.026
   2    3    4   26    180.000
  24    3    4    9      0.026
  24    3    4   11    179.974
  24    3    4   26    180.000
  25    3    4    9      0.026
  25    3    4   11    179.974
  25    3    4   26    180.000
   3    4    9   12    179.974
   3    4    9   33      0.026
   3    4    9   34      0.026
  11    4    9   12      0.026
  11    4    9   33    179.974
  11    4    9   34    179.974
  26    4    9   12      0.026
  26    4    9   33    179.974
  26    4    9   34    179.974
   3    4   11   35    179.974
   3    4   11   36      0.026
   3    4   11   37      0.026
   9    4   11   35      0.026
   9    4   11   36    179.974
   9    4   11   37    179.974
  26    4   11   35      0.026
  26    4   11   36    179.974
  26    4   11   37    179.974
   2    5    8    1      0.026
   2    5    8   13    179.974
   2    5    8   31      0.026
  27    5    8    1    179.974
  27    5    8   13      0.026
  27    5    8   31    179.974
  28    5    8    1    179.974
  28    5    8   13      0.026
  28    5    8   31    179.974
   2    6    7    1      0.026
   2    6    7   14    179.974
   2    6    7   32    179.974
  29    6    7    1    179.974
  29    6    7   14      0.026
  29    6    7   32      0.026
  30    6    7    1    179.974
  30    6    7   14      0.026
  30    6    7   32      0.026
   1    7   14   38      0.026
   1    7   14   39    180.000
   1    7   14   40    179.974
   6    7   14   38    179.974
   6    7   14   39    180.000
   6    7   14   40      0.026
  32    7   14   38      0.026
  32    7   14   39    180.000
  32    7   14   40    179.974
   1    8   13   41    179.974
   1    8   13   42    179.974
   1    8   13   43      0.026
   5    8   13   41      0.026
   5    8   13   42      0.026
   5    8   13   43    179.974
  31    8   13   41    179.974
  31    8   13   42    179.974
  31    8   13   43      0.026
   4    9   12   17    179.974
   4    9   12   18      0.026
  33    9   12   17      0.026
  33    9   12   18    179.974
  34    9   12   17      0.026
  34    9   12   18    179.974
  16   10   15   21    180.000
  16   10   15   22    180.000
  19   10   15   21      0.026
  19   10   15   22    179.974
  20   10   15   21    179.974
  20   10   15   22      0.026
  15   10   16   23    180.000
  15   10   16   44    180.000
  15   10   16   45    180.000
  19   10   16   23      0.026
  19   10   16   44    179.974
  19   10   16   45    179.974
  20   10   16   23    179.974
  20   10   16   44      0.026
  20   10   16   45      0.026
  15   10   19   48      0.026
  15   10   19   49    180.000
  15   10   19   50    179.974
  16   10   19   48    179.974
  16   10   19   49    180.000
  16   10   19   50      0.026
  20   10   19   48    180.000
  20   10   19   49    180.000
  20   10   19   50    180.000
  15   10   20   51    179.974
  15   10   20   52    180.000
  15   10   20   53      0.026
  16   10   20   51      0.026
  16   10   20   52    180.000
  16   10   20   53    179.974
  19   10   20   51    180.000
  19   10   20   52    180.000
  19   10   20   53    180.000
   9   12   17   21    179.974
   9   12   17   46      0.026
  18   12   17   21      0.026
  18   12   17   46    179.974
   9   12   18   22    179.974
   9   12   18   47      0.026
  17   12   18   22      0.026
  17   12   18   47    179.974
  10   15   21   17    179.974
  10   15   21   54      0.026
  22   15   21   17      0.026
  22   15   21   54    179.974
  10   15   22   18    179.974
  10   15   22   55      0.026
  21   15   22   18      0.026
  21   15   22   55    179.974
  10   16   23   56      0.026
  10   16   23   57    179.974
  10   16   23   58    179.974
  44   16   23   56    179.974
  44   16   23   57      0.026
  44   16   23   58      0.026
  45   16   23   56    179.974
  45   16   23   57      0.026
  45   16   23   58      0.026
  12   17   21   15      0.026
  12   17   21   54    179.974
  46   17   21   15    179.974
  46   17   21   54      0.026
  12   18   22   15      0.026
  12   18   22   55    179.974
  47   18   22   15    179.974
  47   18   22   55      0.026


CHIRAL ATOMS
  47   18   22   55      0.026
  47   18   22   55      0.026
  47   18   22   55      0.026