
 [Leu13]motilin

380383  0  0  0  0  0  0  0  0999 V2000
   -5.8632  -21.0123  -32.4815 C   0  0  0  0  0
   -6.4982  -22.2254  -31.8151 C   0  0  0  0  0
   -7.4481  -21.8715  -30.6436 C   0  0  0  0  0
   -8.6687  -21.0894  -31.1436 C   0  0  0  0  0
   -7.8334  -23.1654  -29.8766 C   0  0  0  0  0
   -6.7118  -23.6215  -28.9109 C   0  0  0  0  0
   -5.9354  -24.5120  -29.2887 O   0  0  0  0  0
   -6.4042  -23.0734  -27.7162 N   0  0  0  0  0
   -6.8664  -22.0008  -26.8125 C   0  0  0  0  0
   -7.0684  -20.6276  -27.4641 C   0  0  0  0  0
   -7.1721  -19.4892  -26.4719 C   0  0  0  0  0
   -6.0164  -18.8490  -26.0039 C   0  0  0  0  0
   -6.1093  -17.8008  -25.0866 C   0  0  0  0  0
   -7.3563  -17.3883  -24.6219 C   0  0  0  0  0
   -8.5115  -18.0216  -25.0764 C   0  0  0  0  0
   -8.4214  -19.0666  -25.9974 C   0  0  0  0  0
   -8.1073  -22.3960  -26.0029 C   0  0  0  0  0
   -9.1768  -22.6030  -26.5876 O   0  0  0  0  0
   -8.1323  -22.4495  -24.6441 N   0  0  0  0  0
   -7.0932  -22.6446  -23.6126 C   0  0  0  0  0
   -6.5858  -24.0993  -23.4625 C   0  0  0  0  0
   -5.7437  -24.6451  -24.6020 C   0  0  0  0  0
   -5.8435  -24.2632  -22.2467 O   0  0  0  0  0
   -5.9826  -21.5740  -23.5641 C   0  0  0  0  0
   -4.9967  -21.6020  -24.3053 O   0  0  0  0  0
   -6.0862  -20.4752  -22.7629 N   0  0  0  0  0
   -6.7788  -20.2936  -21.4779 C   0  0  0  0  0
   -8.3099  -20.2125  -21.5628 C   0  0  0  0  0
   -8.8801  -19.4531  -20.3828 C   0  0  0  0  0
   -9.0187  -18.0590  -20.4385 C   0  0  0  0  0
   -9.4827  -17.3517  -19.3286 C   0  0  0  0  0
   -9.8046  -18.0333  -18.1617 C   0  0  0  0  0
   -9.6774  -19.4160  -18.0865 C   0  0  0  0  0
   -9.2150  -20.1250  -19.1976 C   0  0  0  0  0
  -10.2417  -17.3012  -17.0974 O   0  0  0  0  0
   -6.2656  -21.4003  -20.5326 C   0  0  0  0  0
   -6.9028  -22.4406  -20.3338 O   0  0  0  0  0
   -4.9958  -21.3270  -20.0379 N   0  0  0  0  0
   -4.0505  -20.2235  -20.1314 C   0  0  0  0  0
   -4.2338  -19.3020  -18.9319 C   0  0  0  0  0
   -5.1905  -18.5222  -18.8881 O   0  0  0  0  0
   -3.4375  -19.3778  -17.8337 N   0  0  0  0  0
   -2.2254  -20.1518  -17.5382 C   0  0  0  0  0
   -2.3932  -21.6637  -17.7359 C   0  0  0  0  0
   -1.3353  -22.4742  -16.9900 C   0  0  0  0  0
   -1.5210  -23.9459  -17.2392 C   0  0  0  0  0
   -1.8407  -24.7825  -16.4103 O   0  0  0  0  0
   -1.2660  -24.2878  -18.5140 O   0  0  0  0  0
   -1.0481  -19.5695  -18.3480 C   0  0  0  0  0
   -0.9835  -19.7107  -19.5723 O   0  0  0  0  0
   -0.0701  -18.8277  -17.7608 N   0  0  0  0  0
    0.0416  -18.2413  -16.4155 C   0  0  0  0  0
   -1.0669  -17.2095  -16.1467 C   0  0  0  0  0
   -0.7861  -16.2608  -14.9602 C   0  0  0  0  0
    0.4317  -15.3641  -15.1959 C   0  0  0  0  0
   -2.0181  -15.3887  -14.7007 C   0  0  0  0  0
    0.1280  -19.3574  -15.3579 C   0  0  0  0  0
   -0.7287  -19.4908  -14.4799 O   0  0  0  0  0
    1.0654  -20.3427  -15.4504 N   0  0  0  0  0
    2.5263  -20.2688  -15.6525 C   0  0  0  0  0
    3.0855  -19.1487  -16.5281 C   0  0  0  0  0
    4.5656  -19.3638  -16.8566 C   0  0  0  0  0
    5.1457  -18.1013  -17.4435 C   0  0  0  0  0
    5.1422  -17.8487  -18.6416 O   0  0  0  0  0
    5.6165  -17.2075  -16.5290 N   0  0  0  0  0
    3.1141  -20.1870  -14.2286 C   0  0  0  0  0
    3.3237  -19.0982  -13.6846 O   0  0  0  0  0
    3.2911  -21.3099  -13.4723 N   0  0  0  0  0
    3.4585  -22.7230  -13.8616 C   0  0  0  0  0
    2.2322  -23.3589  -14.5247 C   0  0  0  0  0
    2.2897  -24.8907  -14.4814 C   0  0  0  0  0
    1.0091  -25.4985  -15.0504 C   0  0  0  0  0
    1.1277  -26.9494  -15.0092 N   0  0  0  0  0
    0.0568  -27.6479  -15.0451 C   0  0  0  0  0
   -1.2369  -27.2698  -15.1301 N   0  0  0  0  0
    0.1407  -28.9945  -14.9773 N   0  0  0  0  0
    4.7430  -22.8061  -14.7047 C   0  0  0  0  0
    4.7343  -22.5317  -15.9088 O   0  0  0  0  0
    5.9627  -23.0053  -14.1347 N   0  0  0  0  0
    6.3439  -23.5378  -12.8190 C   0  0  0  0  0
    5.9118  -22.6546  -11.6349 C   0  0  0  0  0
    6.7579  -22.8901  -10.3635 C   0  0  0  0  0
    8.1373  -22.2337  -10.4653 C   0  0  0  0  0
    6.0261  -22.3370   -9.1373 C   0  0  0  0  0
    5.8270  -24.9873  -12.7422 C   0  0  0  0  0
    4.7949  -25.2657  -12.1259 O   0  0  0  0  0
    6.4138  -25.9913  -13.4602 N   0  0  0  0  0
    7.8218  -26.1697  -13.8465 C   0  0  0  0  0
    8.3763  -25.1475  -14.8418 C   0  0  0  0  0
    9.6574  -25.6561  -15.5082 C   0  0  0  0  0
   10.2722  -24.5764  -16.3644 C   0  0  0  0  0
   10.1215  -24.5058  -17.5772 O   0  0  0  0  0
   10.9754  -23.6290  -15.6811 N   0  0  0  0  0
    8.6117  -26.2304  -12.5288 C   0  0  0  0  0
    9.1358  -25.2196  -12.0496 O   0  0  0  0  0
    8.6159  -27.3530  -11.7524 N   0  0  0  0  0
    8.6274  -28.7657  -12.1634 C   0  0  0  0  0
    7.3538  -29.2788  -12.8408 C   0  0  0  0  0
    7.2881  -30.8105  -12.8171 C   0  0  0  0  0
    6.0583  -31.3136  -13.5212 C   0  0  0  0  0
    5.0661  -30.6707  -13.8170 O   0  0  0  0  0
    6.1331  -32.6303  -13.7921 O   0  0  0  0  0
    9.8988  -28.9460  -13.0101 C   0  0  0  0  0
    9.8826  -28.7278  -14.2259 O   0  0  0  0  0
   11.1130  -29.1701  -12.4332 N   0  0  0  0  0
   11.4772  -29.6937  -11.1066 C   0  0  0  0  0
   11.0326  -28.8277   -9.9198 C   0  0  0  0  0
   11.8597  -29.1254   -8.6622 C   0  0  0  0  0
   11.4025  -28.2747   -7.4754 C   0  0  0  0  0
   12.2474  -28.5655   -6.2351 C   0  0  0  0  0
   11.8084  -27.7614   -5.1008 N   0  0  0  0  0
   10.9676  -31.1442  -11.0466 C   0  0  0  0  0
    9.8215  -31.4037  -10.6654 O   0  0  0  0  0
   11.6850  -32.1763  -11.5737 N   0  0  0  0  0
   13.1277  -32.3293  -11.8143 C   0  0  0  0  0
   13.7391  -31.3356  -12.8049 C   0  0  0  0  0
   15.0527  -31.8561  -13.3977 C   0  0  0  0  0
   15.6464  -30.8552  -14.3508 C   0  0  0  0  0
   15.1905  -29.7637  -14.6469 O   0  0  0  0  0
   16.8042  -31.2901  -14.8815 O   0  0  0  0  0
   13.7985  -32.3174  -10.4274 C   0  0  0  0  0
   14.0383  -31.2559   -9.8444 O   0  0  0  0  0
   14.0147  -33.4675   -9.7298 N   0  0  0  0  0
   14.0224  -34.8745  -10.1627 C   0  0  0  0  0
   12.6291  -35.3765  -10.5670 C   0  0  0  0  0
   12.5113  -36.8991  -10.4564 C   0  0  0  0  0
   11.1583  -37.3799  -10.9797 C   0  0  0  0  0
   11.0439  -38.8189  -10.7876 N   0  0  0  0  0
   10.4923  -39.2917   -9.7383 C   0  0  0  0  0
    9.9484  -38.6700   -8.6694 N   0  0  0  0  0
   10.4113  -40.6297   -9.5753 N   0  0  0  0  0
   15.0884  -35.0017  -11.2654 C   0  0  0  0  0
   14.7778  -35.1579  -12.4499 O   0  0  0  0  0
   16.4098  -34.7731  -11.0133 N   0  0  0  0  0
   17.2300  -35.0640   -9.8217 C   0  0  0  0  0
   16.7950  -34.4598   -8.4948 C   0  0  0  0  0
   17.9390  -34.5340   -7.5100 C   0  0  0  0  0
   18.1580  -35.5140   -6.8079 O   0  0  0  0  0
   18.7475  -33.4394   -7.4599 N   0  0  0  0  0
   17.3504  -36.5923   -9.7411 C   0  0  0  0  0
   16.3966  -37.2783   -9.3623 O   0  0  0  0  0
   18.4569  -37.2343  -10.2125 N   0  0  0  0  0
   19.6995  -36.7316  -10.8247 C   0  0  0  0  0
   19.4609  -35.9406  -12.1187 C   0  0  0  0  0
   20.7127  -35.8953  -13.0021 C   0  0  0  0  0
   20.4657  -35.0513  -14.2549 C   0  0  0  0  0
   21.6977  -35.0216  -15.1562 C   0  0  0  0  0
   21.4377  -34.1990  -16.3316 N   0  0  0  0  0
   20.5109  -35.9522   -9.7626 C   0  0  0  0  0
   20.5403  -34.7194   -9.7275 O   0  0  0  0  0
   21.1213  -36.6391   -8.7499 N   0  0  0  0  0
   21.5129  -38.0397   -8.7726 C   0  0  0  0  0
   22.8585  -38.1249   -9.4910 C   0  0  0  0  0
   22.9377  -37.8631  -10.6963 O   0  0  0  0  0
   24.0161  -38.3835   -8.8259 N   0  0  0  0  0
   24.2936  -38.7395   -7.4275 C   0  0  0  0  0
   23.8354  -37.6920   -6.4098 C   0  0  0  0  0
   24.4722  -37.8915   -5.0342 C   0  0  0  0  0
   24.0190  -36.8034   -4.0918 C   0  0  0  0  0
   24.6569  -35.7746   -3.9029 O   0  0  0  0  0
   22.8065  -37.0066   -3.5065 N   0  0  0  0  0
   23.7638  -40.1448   -7.1290 C   0  0  0  0  0
   22.7011  -40.6161   -7.5012 O   0  0  0  0  0
   24.6042  -40.8690   -6.3643 O   0  0  0  0  0
   -9.1583  -23.1392  -29.2521 N   0  0  0  0  0
   -9.9107  -24.2947  -29.2963 C   0  0  0  0  0
   -9.9435  -25.0151  -28.2990 O   0  0  0  0  0
  -10.8021  -24.5389  -30.5531 C   0  0  0  0  0
  -10.0492  -24.8437  -31.8434 C   0  0  0  0  0
   -9.6372  -26.2984  -31.6497 C   0  0  0  0  0
  -10.8359  -26.9063  -30.9290 C   0  0  0  0  0
  -11.5622  -25.7775  -30.3591 N   0  0  0  0  0
  -12.7238  -26.0097  -29.6614 C   0  0  0  0  0
  -13.0689  -27.1731  -29.4145 O   0  0  0  0  0
  -13.7005  -24.8575  -29.2831 C   0  0  0  0  0
  -13.2061  -23.8585  -28.2042 C   0  0  0  0  0
  -13.0541  -22.4024  -28.6582 C   0  0  0  0  0
  -14.1729  -23.8685  -27.0052 C   0  0  0  0  0
  -14.2035  -24.2414  -30.5145 N   0  0  0  0  0
  -15.2418  -24.6263  -31.3149 C   0  0  0  0  0
  -15.2154  -24.2174  -32.4810 O   0  0  0  0  0
  -16.4478  -25.4486  -30.7966 C   0  0  0  0  0
  -16.0957  -26.9104  -30.4776 C   0  0  0  0  0
  -17.2893  -27.8413  -30.4788 C   0  0  0  0  0
  -17.6424  -28.5545  -31.6314 C   0  0  0  0  0
  -18.7336  -29.4260  -31.6149 C   0  0  0  0  0
  -19.4821  -29.5897  -30.4501 C   0  0  0  0  0
  -19.1441  -28.8784  -29.3011 C   0  0  0  0  0
  -18.0551  -28.0066  -29.3161 C   0  0  0  0  0
  -17.1078  -24.7221  -29.6845 N   0  0  0  0  0
   -5.1244  -21.3374  -33.2214 H   0  0  0  0  0
   -5.3502  -20.3839  -31.7467 H   0  0  0  0  0
   -6.6047  -20.4030  -33.0051 H   0  0  0  0  0
   -5.6850  -22.8617  -31.4463 H   0  0  0  0  0
   -7.0366  -22.8087  -32.5719 H   0  0  0  0  0
   -6.8853  -21.2112  -29.9840 H   0  0  0  0  0
   -9.2583  -21.6797  -31.8520 H   0  0  0  0  0
   -8.3707  -20.1622  -31.6422 H   0  0  0  0  0
   -9.3195  -20.7961  -30.3133 H   0  0  0  0  0
   -7.8632  -23.9835  -30.6020 H   0  0  0  0  0
   -5.6037  -23.5754  -27.3445 H   0  0  0  0  0
   -6.0299  -21.9093  -26.1369 H   0  0  0  0  0
   -7.9674  -20.6236  -28.0905 H   0  0  0  0  0
   -6.2230  -20.4106  -28.1286 H   0  0  0  0  0
   -5.0332  -19.1664  -26.3468 H   0  0  0  0  0
   -5.2069  -17.3064  -24.7362 H   0  0  0  0  0
   -7.4280  -16.5703  -23.9099 H   0  0  0  0  0
   -9.4854  -17.6994  -24.7163 H   0  0  0  0  0
   -9.3351  -19.5475  -26.3425 H   0  0  0  0  0
   -9.0614  -22.7243  -24.3437 H   0  0  0  0  0
   -7.6695  -22.4972  -22.7012 H   0  0  0  0  0
   -7.4618  -24.7541  -23.3686 H   0  0  0  0  0
   -4.8428  -24.0503  -24.7715 H   0  0  0  0  0
   -6.3210  -24.7041  -25.5259 H   0  0  0  0  0
   -5.3981  -25.6573  -24.3617 H   0  0  0  0  0
   -6.3868  -23.9368  -21.4983 H   0  0  0  0  0
   -5.3085  -19.8481  -22.9291 H   0  0  0  0  0
   -6.4159  -19.3297  -21.1052 H   0  0  0  0  0
   -8.7891  -21.1959  -21.5946 H   0  0  0  0  0
   -8.6107  -19.7044  -22.4869 H   0  0  0  0  0
   -8.7521  -17.5118  -21.3394 H   0  0  0  0  0
   -9.5799  -16.2707  -19.3692 H   0  0  0  0  0
   -9.9234  -19.9559  -17.1779 H   0  0  0  0  0
   -9.1057  -21.2058  -19.1262 H   0  0  0  0  0
  -10.3692  -17.9010  -16.3446 H   0  0  0  0  0
   -4.7409  -22.1145  -19.4558 H   0  0  0  0  0
   -4.2114  -19.6335  -21.0356 H   0  0  0  0  0
   -3.0540  -20.6432  -20.2084 H   0  0  0  0  0
   -3.7238  -18.7070  -17.1293 H   0  0  0  0  0
   -2.0672  -19.9835  -16.4754 H   0  0  0  0  0
   -2.3403  -21.9331  -18.7937 H   0  0  0  0  0
   -3.3862  -21.9741  -17.3859 H   0  0  0  0  0
   -1.4078  -22.2998  -15.9107 H   0  0  0  0  0
   -0.3205  -22.2008  -17.2981 H   0  0  0  0  0
   -1.3713  -25.2613  -18.5641 H   0  0  0  0  0
    0.5808  -18.4732  -18.4541 H   0  0  0  0  0
    0.9874  -17.7057  -16.4219 H   0  0  0  0  0
   -2.0150  -17.7243  -15.9580 H   0  0  0  0  0
   -1.2230  -16.6061  -17.0512 H   0  0  0  0  0
   -0.6031  -16.8541  -14.0567 H   0  0  0  0  0
    0.3447  -14.8156  -16.1398 H   0  0  0  0  0
    1.3589  -15.9440  -15.2212 H   0  0  0  0  0
    0.5366  -14.6312  -14.3885 H   0  0  0  0  0
   -2.2496  -14.7602  -15.5675 H   0  0  0  0  0
   -1.8562  -14.7320  -13.8393 H   0  0  0  0  0
   -2.8954  -16.0080  -14.4859 H   0  0  0  0  0
    0.8381  -21.0218  -14.7321 H   0  0  0  0  0
    2.7907  -21.2104  -16.1245 H   0  0  0  0  0
    2.9670  -18.1775  -16.0354 H   0  0  0  0  0
    2.5432  -19.1034  -17.4771 H   0  0  0  0  0
    4.6931  -20.1780  -17.5786 H   0  0  0  0  0
    5.1436  -19.6323  -15.9651 H   0  0  0  0  0
    5.9983  -16.3356  -16.8714 H   0  0  0  0  0
    5.5818  -17.3674  -15.5307 H   0  0  0  0  0
    3.6535  -21.0705  -12.5566 H   0  0  0  0  0
    3.5989  -23.2481  -12.9202 H   0  0  0  0  0
    2.1255  -23.0592  -15.5699 H   0  0  0  0  0
    1.3287  -23.0296  -13.9972 H   0  0  0  0  0
    2.4167  -25.2323  -13.4472 H   0  0  0  0  0
    3.1578  -25.2519  -15.0461 H   0  0  0  0  0
    0.8815  -25.1735  -16.0883 H   0  0  0  0  0
    0.1594  -25.1401  -14.4576 H   0  0  0  0  0
   -1.3923  -26.3103  -15.4445 H   0  0  0  0  0
   -1.7977  -27.9102  -15.6771 H   0  0  0  0  0
    1.0965  -29.2585  -14.7530 H   0  0  0  0  0
   -0.4999  -29.3781  -14.2938 H   0  0  0  0  0
    6.6915  -22.9912  -14.8385 H   0  0  0  0  0
    7.4302  -23.5526  -12.8260 H   0  0  0  0  0
    4.8658  -22.8419  -11.3775 H   0  0  0  0  0
    5.9784  -21.5964  -11.9186 H   0  0  0  0  0
    6.8935  -23.9683  -10.2133 H   0  0  0  0  0
    8.0508  -21.1496  -10.5966 H   0  0  0  0  0
    8.7154  -22.6268  -11.3053 H   0  0  0  0  0
    8.7187  -22.4160   -9.5550 H   0  0  0  0  0
    5.8461  -21.2608   -9.2334 H   0  0  0  0  0
    6.6105  -22.5043   -8.2263 H   0  0  0  0  0
    5.0584  -22.8327   -9.0056 H   0  0  0  0  0
    5.8945  -26.8537  -13.3311 H   0  0  0  0  0
    7.8623  -27.1330  -14.3484 H   0  0  0  0  0
    8.5966  -24.1902  -14.3644 H   0  0  0  0  0
    7.6314  -24.9486  -15.6223 H   0  0  0  0  0
    9.4504  -26.5260  -16.1416 H   0  0  0  0  0
   10.3954  -25.9677  -14.7601 H   0  0  0  0  0
   11.2368  -23.7393  -14.7107 H   0  0  0  0  0
   11.4417  -22.9170  -16.2288 H   0  0  0  0  0
    9.1201  -27.1630  -10.8954 H   0  0  0  0  0
    8.7177  -29.3202  -11.2329 H   0  0  0  0  0
    7.2808  -28.9637  -13.8842 H   0  0  0  0  0
    6.4752  -28.8744  -12.3232 H   0  0  0  0  0
    7.2603  -31.1773  -11.7859 H   0  0  0  0  0
    8.1674  -31.2256  -13.3221 H   0  0  0  0  0
    5.2863  -32.8328  -14.2428 H   0  0  0  0  0
   11.8428  -29.2137  -13.1369 H   0  0  0  0  0
   12.5635  -29.6829  -11.0934 H   0  0  0  0  0
    9.9805  -28.9844   -9.6697 H   0  0  0  0  0
   11.1572  -27.7685  -10.1756 H   0  0  0  0  0
   12.9183  -28.9231   -8.8646 H   0  0  0  0  0
   11.7723  -30.1874   -8.4040 H   0  0  0  0  0
   10.3460  -28.4813   -7.2634 H   0  0  0  0  0
   11.4781  -27.2115   -7.7363 H   0  0  0  0  0
   13.3024  -28.3499   -6.4360 H   0  0  0  0  0
   12.1766  -29.6253   -5.9677 H   0  0  0  0  0
   11.8638  -26.7716   -5.3388 H   0  0  0  0  0
   10.8251  -27.9481   -4.9068 H   0  0  0  0  0
   11.1688  -33.0442  -11.4859 H   0  0  0  0  0
   13.2160  -33.3116  -12.2697 H   0  0  0  0  0
   13.9502  -30.3695  -12.3396 H   0  0  0  0  0
   13.0319  -31.1505  -13.6233 H   0  0  0  0  0
   14.8733  -32.7852  -13.9486 H   0  0  0  0  0
   15.7793  -32.0403  -12.5994 H   0  0  0  0  0
   17.0750  -30.5775  -15.4985 H   0  0  0  0  0
   14.3421  -33.2827   -8.7899 H   0  0  0  0  0
   14.3455  -35.4575   -9.2979 H   0  0  0  0  0
   12.3774  -35.0891  -11.5916 H   0  0  0  0  0
   11.8722  -34.9213   -9.9154 H   0  0  0  0  0
   12.6369  -37.2000   -9.4091 H   0  0  0  0  0
   13.3142  -37.3850  -11.0239 H   0  0  0  0  0
   11.0914  -37.1756  -12.0550 H   0  0  0  0  0
   10.3340  -36.8226  -10.5220 H   0  0  0  0  0
    9.7442  -37.6897   -8.8034 H   0  0  0  0  0
    9.1362  -39.1630   -8.3160 H   0  0  0  0  0
   10.9563  -41.0907  -10.2984 H   0  0  0  0  0
   10.7238  -40.9225   -8.6579 H   0  0  0  0  0
   16.9155  -34.8726  -11.8868 H   0  0  0  0  0
   18.1933  -34.6250  -10.0627 H   0  0  0  0  0
   15.9470  -34.9735   -8.0348 H   0  0  0  0  0
   16.5205  -33.4073   -8.6241 H   0  0  0  0  0
   18.8178  -32.7963   -8.2384 H   0  0  0  0  0
   19.5784  -33.5279   -6.8875 H   0  0  0  0  0
   18.3675  -38.2408  -10.1317 H   0  0  0  0  0
   20.2595  -37.6301  -11.1014 H   0  0  0  0  0
   19.1591  -34.9106  -11.9097 H   0  0  0  0  0
   18.6451  -36.4050  -12.6872 H   0  0  0  0  0
   20.9938  -36.9146  -13.2931 H   0  0  0  0  0
   21.5534  -35.4741  -12.4383 H   0  0  0  0  0
   20.1975  -34.0295  -13.9569 H   0  0  0  0  0
   19.6105  -35.4594  -14.8087 H   0  0  0  0  0
   21.9517  -36.0368  -15.4790 H   0  0  0  0  0
   22.5584  -34.6177  -14.6121 H   0  0  0  0  0
   21.2499  -33.2394  -16.0442 H   0  0  0  0  0
   22.2760  -34.1636  -16.9104 H   0  0  0  0  0
   21.6212  -36.0282   -8.1157 H   0  0  0  0  0
   20.7874  -38.6530   -9.3110 H   0  0  0  0  0
   21.5423  -38.3974   -7.7485 H   0  0  0  0  0
   24.8109  -38.3849   -9.4567 H   0  0  0  0  0
   25.3897  -38.7998   -7.3954 H   0  0  0  0  0
   22.7498  -37.7010   -6.2847 H   0  0  0  0  0
   24.0904  -36.6899   -6.7796 H   0  0  0  0  0
   25.5656  -37.8609   -5.0962 H   0  0  0  0  0
   24.1971  -38.8619   -4.6067 H   0  0  0  0  0
   22.2953  -37.8766   -3.5618 H   0  0  0  0  0
   22.4802  -36.3053   -2.8523 H   0  0  0  0  0
   24.1769  -41.7495   -6.2852 H   0  0  0  0  0
   -9.0588  -22.9287  -28.2572 H   0  0  0  0  0
  -11.4654  -23.6884  -30.6841 H   0  0  0  0  0
   -9.2136  -24.1852  -32.0724 H   0  0  0  0  0
  -10.7421  -24.7807  -32.6935 H   0  0  0  0  0
   -9.4157  -26.8058  -32.5929 H   0  0  0  0  0
   -8.7449  -26.3595  -31.0158 H   0  0  0  0  0
  -11.5011  -27.4282  -31.6258 H   0  0  0  0  0
  -10.5328  -27.6019  -30.1399 H   0  0  0  0  0
  -14.5436  -25.3871  -28.8379 H   0  0  0  0  0
  -12.2460  -24.2011  -27.8103 H   0  0  0  0  0
  -14.0067  -21.9878  -29.0054 H   0  0  0  0  0
  -12.3233  -22.2869  -29.4585 H   0  0  0  0  0
  -12.7096  -21.7777  -27.8259 H   0  0  0  0  0
  -15.1647  -23.5029  -27.2933 H   0  0  0  0  0
  -13.8012  -23.2274  -26.1986 H   0  0  0  0  0
  -14.2849  -24.8791  -26.5986 H   0  0  0  0  0
  -13.5283  -23.7287  -31.0654 H   0  0  0  0  0
  -17.1702  -25.4513  -31.6246 H   0  0  0  0  0
  -15.6186  -27.0044  -29.4982 H   0  0  0  0  0
  -15.3562  -27.2808  -31.1999 H   0  0  0  0  0
  -17.0656  -28.4422  -32.5462 H   0  0  0  0  0
  -18.9978  -29.9805  -32.5112 H   0  0  0  0  0
  -20.3285  -30.2706  -30.4375 H   0  0  0  0  0
  -19.7261  -29.0010  -28.3919 H   0  0  0  0  0
  -17.8025  -27.4536  -28.4140 H   0  0  0  0  0
  -17.3936  -23.8059  -30.0316 H   0  0  0  0  0
  -16.4389  -24.5452  -28.9416 H   0  0  0  0  0
  1  2  1  0  0  0
  1191  1  0  0  0
  1192  1  0  0  0
  1193  1  0  0  0
  2  3  1  0  0  0
  2194  1  0  0  0
  2195  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3196  1  0  0  0
  4197  1  0  0  0
  4198  1  0  0  0
  4199  1  0  0  0
  5165  1  0  0  0
  5  6  1  0  0  0
  5200  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8201  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9202  1  0  0  0
 10 11  1  0  0  0
 10203  1  0  0  0
 10204  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12205  1  0  0  0
 13 14  2  0  0  0
 13206  1  0  0  0
 14 15  1  0  0  0
 14207  1  0  0  0
 15 16  2  0  0  0
 15208  1  0  0  0
 16209  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19210  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 20211  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21212  1  0  0  0
 22213  1  0  0  0
 22214  1  0  0  0
 22215  1  0  0  0
 23216  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26217  1  0  0  0
 27 36  1  0  0  0
 27 28  1  0  0  0
 27218  1  0  0  0
 28 29  1  0  0  0
 28219  1  0  0  0
 28220  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30221  1  0  0  0
 31 32  2  0  0  0
 31222  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33223  1  0  0  0
 34224  1  0  0  0
 35225  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 39  1  0  0  0
 38226  1  0  0  0
 39 40  1  0  0  0
 39227  1  0  0  0
 39228  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 43  1  0  0  0
 42229  1  0  0  0
 43 49  1  0  0  0
 43 44  1  0  0  0
 43230  1  0  0  0
 44 45  1  0  0  0
 44231  1  0  0  0
 44232  1  0  0  0
 45 46  1  0  0  0
 45233  1  0  0  0
 45234  1  0  0  0
 46 48  1  0  0  0
 46 47  2  0  0  0
 48235  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51 52  1  0  0  0
 51236  1  0  0  0
 52 57  1  0  0  0
 52 53  1  0  0  0
 52237  1  0  0  0
 53 54  1  0  0  0
 53238  1  0  0  0
 53239  1  0  0  0
 54 56  1  0  0  0
 54 55  1  0  0  0
 54240  1  0  0  0
 55241  1  0  0  0
 55242  1  0  0  0
 55243  1  0  0  0
 56244  1  0  0  0
 56245  1  0  0  0
 56246  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59 60  1  0  0  0
 59247  1  0  0  0
 60 66  1  0  0  0
 60 61  1  0  0  0
 60248  1  0  0  0
 61 62  1  0  0  0
 61249  1  0  0  0
 61250  1  0  0  0
 62 63  1  0  0  0
 62251  1  0  0  0
 62252  1  0  0  0
 63 65  1  0  0  0
 63 64  2  0  0  0
 65253  1  0  0  0
 65254  1  0  0  0
 66 68  1  0  0  0
 66 67  2  0  0  0
 68 69  1  0  0  0
 68255  1  0  0  0
 69 77  1  0  0  0
 69 70  1  0  0  0
 69256  1  0  0  0
 70 71  1  0  0  0
 70257  1  0  0  0
 70258  1  0  0  0
 71 72  1  0  0  0
 71259  1  0  0  0
 71260  1  0  0  0
 72 73  1  0  0  0
 72261  1  0  0  0
 72262  1  0  0  0
 73 74  2  0  0  0
 74 76  1  0  0  0
 74 75  1  0  0  0
 75263  1  0  0  0
 75264  1  0  0  0
 76265  1  0  0  0
 76266  1  0  0  0
 77 79  1  0  0  0
 77 78  2  0  0  0
 79 80  1  0  0  0
 79267  1  0  0  0
 80 85  1  0  0  0
 80 81  1  0  0  0
 80268  1  0  0  0
 81 82  1  0  0  0
 81269  1  0  0  0
 81270  1  0  0  0
 82 84  1  0  0  0
 82 83  1  0  0  0
 82271  1  0  0  0
 83272  1  0  0  0
 83273  1  0  0  0
 83274  1  0  0  0
 84275  1  0  0  0
 84276  1  0  0  0
 84277  1  0  0  0
 85 87  1  0  0  0
 85 86  2  0  0  0
 87 88  1  0  0  0
 87278  1  0  0  0
 88 94  1  0  0  0
 88 89  1  0  0  0
 88279  1  0  0  0
 89 90  1  0  0  0
 89280  1  0  0  0
 89281  1  0  0  0
 90 91  1  0  0  0
 90282  1  0  0  0
 90283  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93284  1  0  0  0
 93285  1  0  0  0
 94 96  1  0  0  0
 94 95  2  0  0  0
 96 97  1  0  0  0
 96286  1  0  0  0
 97103  1  0  0  0
 97 98  1  0  0  0
 97287  1  0  0  0
 98 99  1  0  0  0
 98288  1  0  0  0
 98289  1  0  0  0
 99100  1  0  0  0
 99290  1  0  0  0
 99291  1  0  0  0
100102  1  0  0  0
100101  2  0  0  0
102292  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105106  1  0  0  0
105293  1  0  0  0
106112  1  0  0  0
106107  1  0  0  0
106294  1  0  0  0
107108  1  0  0  0
107295  1  0  0  0
107296  1  0  0  0
108109  1  0  0  0
108297  1  0  0  0
108298  1  0  0  0
109110  1  0  0  0
109299  1  0  0  0
109300  1  0  0  0
110111  1  0  0  0
110301  1  0  0  0
110302  1  0  0  0
111303  1  0  0  0
111304  1  0  0  0
112114  1  0  0  0
112113  2  0  0  0
114115  1  0  0  0
114305  1  0  0  0
115121  1  0  0  0
115116  1  0  0  0
115306  1  0  0  0
116117  1  0  0  0
116307  1  0  0  0
116308  1  0  0  0
117118  1  0  0  0
117309  1  0  0  0
117310  1  0  0  0
118120  1  0  0  0
118119  2  0  0  0
120311  1  0  0  0
121123  1  0  0  0
121122  2  0  0  0
123124  1  0  0  0
123312  1  0  0  0
124132  1  0  0  0
124125  1  0  0  0
124313  1  0  0  0
125126  1  0  0  0
125314  1  0  0  0
125315  1  0  0  0
126127  1  0  0  0
126316  1  0  0  0
126317  1  0  0  0
127128  1  0  0  0
127318  1  0  0  0
127319  1  0  0  0
128129  2  0  0  0
129131  1  0  0  0
129130  1  0  0  0
130320  1  0  0  0
130321  1  0  0  0
131322  1  0  0  0
131323  1  0  0  0
132134  1  0  0  0
132133  2  0  0  0
134135  1  0  0  0
134324  1  0  0  0
135140  1  0  0  0
135136  1  0  0  0
135325  1  0  0  0
136137  1  0  0  0
136326  1  0  0  0
136327  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139328  1  0  0  0
139329  1  0  0  0
140142  1  0  0  0
140141  2  0  0  0
142143  1  0  0  0
142330  1  0  0  0
143149  1  0  0  0
143144  1  0  0  0
143331  1  0  0  0
144145  1  0  0  0
144332  1  0  0  0
144333  1  0  0  0
145146  1  0  0  0
145334  1  0  0  0
145335  1  0  0  0
146147  1  0  0  0
146336  1  0  0  0
146337  1  0  0  0
147148  1  0  0  0
147338  1  0  0  0
147339  1  0  0  0
148340  1  0  0  0
148341  1  0  0  0
149151  1  0  0  0
149150  2  0  0  0
151152  1  0  0  0
151342  1  0  0  0
152153  1  0  0  0
152343  1  0  0  0
152344  1  0  0  0
153155  1  0  0  0
153154  2  0  0  0
155156  1  0  0  0
155345  1  0  0  0
156162  1  0  0  0
156157  1  0  0  0
156346  1  0  0  0
157158  1  0  0  0
157347  1  0  0  0
157348  1  0  0  0
158159  1  0  0  0
158349  1  0  0  0
158350  1  0  0  0
159161  1  0  0  0
159160  2  0  0  0
161351  1  0  0  0
161352  1  0  0  0
162164  1  0  0  0
162163  2  0  0  0
164353  1  0  0  0
165166  1  0  0  0
165354  1  0  0  0
166168  1  0  0  0
166167  2  0  0  0
168172  1  0  0  0
168169  1  0  0  0
168355  1  0  0  0
169170  1  0  0  0
169356  1  0  0  0
169357  1  0  0  0
170171  1  0  0  0
170358  1  0  0  0
170359  1  0  0  0
171172  1  0  0  0
171360  1  0  0  0
171361  1  0  0  0
172173  1  0  0  0
173175  1  0  0  0
173174  2  0  0  0
175179  1  0  0  0
175176  1  0  0  0
175362  1  0  0  0
176178  1  0  0  0
176177  1  0  0  0
176363  1  0  0  0
177364  1  0  0  0
177365  1  0  0  0
177366  1  0  0  0
178367  1  0  0  0
178368  1  0  0  0
178369  1  0  0  0
179180  1  0  0  0
179370  1  0  0  0
180182  1  0  0  0
180181  2  0  0  0
182190  1  0  0  0
182183  1  0  0  0
182371  1  0  0  0
183184  1  0  0  0
183372  1  0  0  0
183373  1  0  0  0
184185  2  0  0  0
184189  1  0  0  0
185186  1  0  0  0
185374  1  0  0  0
186187  2  0  0  0
186375  1  0  0  0
187188  1  0  0  0
187376  1  0  0  0
188189  2  0  0  0
188377  1  0  0  0
189378  1  0  0  0
190379  1  0  0  0
190380  1  0  0  0
M  END

>  <Chemical Name>
[Leu13]motilin

>  <PubChem CID>
91898971

>  <Formula>
C121H190N34O35

>  <Molecular Weight>
2681.054000

>  <IUPAC Name>
(2S)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoic acid

>  <XlogP>
-14.1

>  <Hydrogen Bond Donors>
37

>  <Hydrogen Bond Acceptors>
40

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N

>  <InChI Std. ID>
InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1

>  <InChI Key>
GFOZQXMKARUPQI-HYOAWBISSA-N

