@MOLECULE promedol 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0346 -1.1241 0.4541 O.3 1 UNL1111111111 -0.4624 2 O 0.7519 -1.7490 -1.5733 O.2 1 UNL1111111111 -0.5007 3 N -3.1405 0.3537 0.4027 N.3 1 UNL1111111111 -0.4253 4 C -0.1767 0.2633 0.1257 C.3 1 UNL1111111111 0.2745 5 C -0.8518 0.8450 1.3998 C.3 1 UNL1111111111 -0.1547 6 C -1.1031 0.4166 -1.0874 C.3 1 UNL1111111111 -0.3964 7 C -2.4816 -0.2197 -0.7951 C.3 1 UNL1111111111 0.0922 8 C -2.2527 0.2107 1.5749 C.3 1 UNL1111111111 -0.1137 9 C 1.1794 0.8931 -0.0863 C.ar 1 UNL1111111111 -0.0506 10 C -0.0148 0.5893 2.6501 C.3 1 UNL1111111111 -0.4477 11 C -3.3803 -0.1128 -2.0336 C.3 1 UNL1111111111 -0.4648 12 C -3.5928 1.7480 0.2297 C.3 1 UNL1111111111 -0.2713 13 C 1.2816 2.1483 -0.6890 C.ar 1 UNL1111111111 -0.1625 14 C 2.3361 0.2485 0.3554 C.ar 1 UNL1111111111 -0.1425 15 C 0.4316 -2.0201 -0.4478 C.2 1 UNL1111111111 0.6142 16 C 2.5287 2.7421 -0.8698 C.ar 1 UNL1111111111 -0.1331 17 C 3.5834 0.8406 0.1711 C.ar 1 UNL1111111111 -0.1422 18 C 0.4730 -3.3748 0.2084 C.3 1 UNL1111111111 -0.3217 19 C 3.6823 2.0869 -0.4440 C.ar 1 UNL1111111111 -0.1509 20 C 1.9302 -3.7904 0.3840 C.3 1 UNL1111111111 -0.4209 21 H -0.9610 1.9447 1.2472 H 1 UNL1111111111 0.1461 22 H -0.6471 -0.0519 -1.9830 H 1 UNL1111111111 0.1879 23 H -1.2270 1.4821 -1.3483 H 1 UNL1111111111 0.1548 24 H -2.3320 -1.3102 -0.5599 H 1 UNL1111111111 0.1416 25 H -2.1464 -0.8796 1.7790 H 1 UNL1111111111 0.1519 26 H -2.7585 0.6449 2.4619 H 1 UNL1111111111 0.1368 27 H 0.9709 1.0664 2.5761 H 1 UNL1111111111 0.1542 28 H -0.5042 0.9838 3.5470 H 1 UNL1111111111 0.1449 29 H 0.1565 -0.4835 2.8057 H 1 UNL1111111111 0.1576 30 H -3.4337 0.9079 -2.4227 H 1 UNL1111111111 0.1449 31 H -3.0059 -0.7558 -2.8383 H 1 UNL1111111111 0.1501 32 H -4.4025 -0.4351 -1.7972 H 1 UNL1111111111 0.1577 33 H -2.8090 2.4499 -0.0895 H 1 UNL1111111111 0.1182 34 H -4.0203 2.1124 1.1779 H 1 UNL1111111111 0.1388 35 H -4.4052 1.7669 -0.5158 H 1 UNL1111111111 0.1455 36 H 0.3888 2.6723 -1.0238 H 1 UNL1111111111 0.1485 37 H 2.2686 -0.7206 0.8483 H 1 UNL1111111111 0.1558 38 H 2.5997 3.7176 -1.3463 H 1 UNL1111111111 0.1481 39 H 4.4811 0.3266 0.5078 H 1 UNL1111111111 0.1474 40 H -0.0554 -3.3659 1.1845 H 1 UNL1111111111 0.1715 41 H -0.0701 -4.1002 -0.4337 H 1 UNL1111111111 0.1719 42 H 4.6564 2.5458 -0.5905 H 1 UNL1111111111 0.1469 43 H 2.4575 -3.1374 1.0904 H 1 UNL1111111111 0.1489 44 H 2.0072 -4.8155 0.7649 H 1 UNL1111111111 0.1480 45 H 2.4757 -3.7529 -0.5705 H 1 UNL1111111111 0.1625 @BOND 1 1 4 1 2 1 15 1 3 2 15 2 4 3 7 1 5 3 8 1 6 3 12 1 7 4 5 1 8 4 6 1 9 4 9 1 10 5 8 1 11 5 10 1 12 5 21 1 13 6 7 1 14 6 22 1 15 6 23 1 16 7 11 1 17 7 24 1 18 8 25 1 19 8 26 1 20 9 13 ar 21 9 14 ar 22 10 27 1 23 10 28 1 24 10 29 1 25 11 30 1 26 11 31 1 27 11 32 1 28 12 33 1 29 12 34 1 30 12 35 1 31 13 16 ar 32 13 36 1 33 14 17 ar 34 14 37 1 35 15 18 1 36 16 19 ar 37 16 38 1 38 17 19 ar 39 17 39 1 40 18 20 1 41 18 40 1 42 18 41 1 43 19 42 1 44 20 43 1 45 20 44 1 46 20 45 1