@MOLECULE allo-yohimbane 45 49 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.0498 -1.4172 -0.2422 N.3 1 UNL1111111111 -0.4267 2 N 1.5997 1.1931 -0.7598 N.ar 1 UNL1111111111 -0.3923 3 C -2.9015 0.7174 -0.9239 C.3 1 UNL1111111111 -0.0997 4 C -3.3982 -0.6295 -0.3574 C.3 1 UNL1111111111 -0.1105 5 C -0.5535 -0.1910 -0.9358 C.3 1 UNL1111111111 0.0462 6 C -1.4502 0.9851 -0.4964 C.3 1 UNL1111111111 -0.2936 7 C -2.4055 -1.7571 -0.7327 C.3 1 UNL1111111111 -0.1318 8 C -3.8276 1.8640 -0.4816 C.3 1 UNL1111111111 -0.2780 9 C -3.5812 -0.5732 1.1671 C.3 1 UNL1111111111 -0.2705 10 C -4.0211 1.9026 1.0394 C.3 1 UNL1111111111 -0.2585 11 C -4.5402 0.5558 1.5569 C.3 1 UNL1111111111 -0.2668 12 C 0.8698 0.0218 -0.5356 C.ar 1 UNL1111111111 0.0589 13 C -0.1133 -2.5596 -0.3918 C.3 1 UNL1111111111 -0.1038 14 C 1.6784 -0.9302 0.0650 C.ar 1 UNL1111111111 -0.1022 15 C 1.1722 -2.2685 0.4233 C.3 1 UNL1111111111 -0.2492 16 C 2.9727 -0.3445 0.2492 C.ar 1 UNL1111111111 -0.0765 17 C 2.8924 0.9904 -0.2727 C.ar 1 UNL1111111111 0.1119 18 C 4.1804 -0.7928 0.7902 C.ar 1 UNL1111111111 -0.1048 19 C 3.9905 1.8589 -0.2555 C.ar 1 UNL1111111111 -0.2158 20 C 5.2622 0.0695 0.8060 C.ar 1 UNL1111111111 -0.1979 21 C 5.1676 1.3790 0.2889 C.ar 1 UNL1111111111 -0.1177 22 H -2.9333 0.6572 -2.0398 H 1 UNL1111111111 0.1231 23 H -4.3838 -0.8658 -0.8243 H 1 UNL1111111111 0.1266 24 H -0.6033 -0.3007 -2.0548 H 1 UNL1111111111 0.1274 25 H -1.3906 1.0930 0.6063 H 1 UNL1111111111 0.1705 26 H -1.0903 1.9327 -0.9268 H 1 UNL1111111111 0.1279 27 H -2.7247 -2.7020 -0.2412 H 1 UNL1111111111 0.1393 28 H -2.4351 -1.9344 -1.8283 H 1 UNL1111111111 0.1111 29 H -4.8113 1.7472 -0.9750 H 1 UNL1111111111 0.1332 30 H -3.4235 2.8303 -0.8343 H 1 UNL1111111111 0.1315 31 H -2.5937 -0.4293 1.6528 H 1 UNL1111111111 0.1656 32 H -3.9563 -1.5418 1.5409 H 1 UNL1111111111 0.1276 33 H -4.7244 2.7110 1.3094 H 1 UNL1111111111 0.1256 34 H -3.0647 2.1514 1.5374 H 1 UNL1111111111 0.1397 35 H -4.6541 0.5907 2.6560 H 1 UNL1111111111 0.1299 36 H -5.5487 0.3567 1.1511 H 1 UNL1111111111 0.1304 37 H 0.1509 -2.7632 -1.4504 H 1 UNL1111111111 0.1169 38 H -0.6036 -3.4705 0.0111 H 1 UNL1111111111 0.1349 39 H 1.9258 -3.0566 0.2376 H 1 UNL1111111111 0.1446 40 H 0.9382 -2.3026 1.5105 H 1 UNL1111111111 0.1636 41 H 1.2481 2.0358 -1.1452 H 1 UNL1111111111 0.3137 42 H 4.2547 -1.8011 1.1887 H 1 UNL1111111111 0.1502 43 H 3.9155 2.8637 -0.6533 H 1 UNL1111111111 0.1537 44 H 6.2112 -0.2580 1.2233 H 1 UNL1111111111 0.1473 45 H 6.0468 2.0197 0.3234 H 1 UNL1111111111 0.1449 @BOND 1 1 5 1 2 1 7 1 3 1 13 1 4 2 12 ar 5 2 17 ar 6 2 41 1 7 3 4 1 8 3 6 1 9 3 8 1 10 3 22 1 11 4 7 1 12 4 9 1 13 4 23 1 14 5 6 1 15 5 12 1 16 5 24 1 17 6 25 1 18 6 26 1 19 7 27 1 20 7 28 1 21 8 10 1 22 8 29 1 23 8 30 1 24 9 11 1 25 9 31 1 26 9 32 1 27 10 11 1 28 10 33 1 29 10 34 1 30 11 35 1 31 11 36 1 32 12 14 ar 33 13 15 1 34 13 37 1 35 13 38 1 36 14 15 1 37 14 16 ar 38 15 39 1 39 15 40 1 40 16 17 ar 41 16 18 ar 42 17 19 ar 43 18 20 ar 44 18 42 1 45 19 21 ar 46 19 43 1 47 20 21 ar 48 20 44 1 49 21 45 1