@MOLECULE (7beta,17r,19e)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate 47 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5732 2.0199 -0.2778 O.3 1 UNL1111111111 -0.4471 2 O 0.8491 3.2333 0.9720 O.2 1 UNL1111111111 -0.5093 3 N 1.4903 -1.8394 -1.0736 N.3 1 UNL1111111111 -0.3990 4 N -1.6309 -2.2885 0.7053 N.2 1 UNL1111111111 -0.3715 5 C 1.3768 0.5407 -0.3086 C.3 1 UNL1111111111 -0.2095 6 C 1.1542 -0.4520 -1.5105 C.3 1 UNL1111111111 0.0341 7 C -0.9129 -0.2915 -0.3967 C.3 1 UNL1111111111 -0.0595 8 C -0.0402 0.8070 0.2517 C.3 1 UNL1111111111 0.1383 9 C 2.2904 -0.1521 0.7320 C.3 1 UNL1111111111 -0.1044 10 C -0.3582 -0.3818 -1.8225 C.3 1 UNL1111111111 -0.2813 11 C 0.8418 -2.1283 0.2519 C.3 1 UNL1111111111 0.0326 12 C -0.5853 -1.6731 0.2406 C.2 1 UNL1111111111 0.1695 13 C 1.5481 -1.3367 1.3920 C.3 1 UNL1111111111 -0.3215 14 C 2.9708 -1.8938 -0.9014 C.3 1 UNL1111111111 -0.1302 15 C 3.4460 -0.7597 -0.0202 C.2 1 UNL1111111111 -0.0777 16 C -2.3859 -0.2331 -0.1844 C.ar 1 UNL1111111111 -0.0858 17 C -2.7658 -1.4409 0.4772 C.ar 1 UNL1111111111 0.1127 18 C 4.7211 -0.3730 0.0526 C.2 1 UNL1111111111 -0.1592 19 C -3.3297 0.7183 -0.4958 C.ar 1 UNL1111111111 -0.1155 20 C -4.0810 -1.6929 0.8182 C.ar 1 UNL1111111111 -0.1503 21 C -0.0614 3.1893 0.1877 C.2 1 UNL1111111111 0.6374 22 C -4.6657 0.4637 -0.1483 C.ar 1 UNL1111111111 -0.1656 23 C 5.2024 0.7453 0.9083 C.3 1 UNL1111111111 -0.4405 24 C -5.0317 -0.7159 0.4931 C.ar 1 UNL1111111111 -0.1361 25 C -0.8012 4.3271 -0.4274 C.3 1 UNL1111111111 -0.5070 26 H 1.8457 1.4810 -0.6549 H 1 UNL1111111111 0.1650 27 H 1.7701 -0.1877 -2.3929 H 1 UNL1111111111 0.1475 28 H -0.1002 0.8507 1.3542 H 1 UNL1111111111 0.1498 29 H 2.6161 0.5805 1.5007 H 1 UNL1111111111 0.1604 30 H -0.6172 0.5039 -2.4231 H 1 UNL1111111111 0.1601 31 H -0.7154 -1.2673 -2.3739 H 1 UNL1111111111 0.1713 32 H 0.9094 -3.2336 0.4146 H 1 UNL1111111111 0.1740 33 H 2.2614 -1.9855 1.9296 H 1 UNL1111111111 0.1571 34 H 0.8342 -0.9959 2.1585 H 1 UNL1111111111 0.1558 35 H 3.4309 -1.8548 -1.9127 H 1 UNL1111111111 0.1533 36 H 3.2521 -2.8799 -0.4717 H 1 UNL1111111111 0.1542 37 H 5.4943 -0.8754 -0.5272 H 1 UNL1111111111 0.1439 38 H -3.0483 1.6445 -0.9928 H 1 UNL1111111111 0.1618 39 H -4.3622 -2.6157 1.3197 H 1 UNL1111111111 0.1715 40 H -5.4252 1.2054 -0.3867 H 1 UNL1111111111 0.1498 41 H 5.1484 0.4838 1.9761 H 1 UNL1111111111 0.1582 42 H 4.6007 1.6570 0.7700 H 1 UNL1111111111 0.1616 43 H 6.2445 1.0147 0.6941 H 1 UNL1111111111 0.1485 44 H -6.0762 -0.8879 0.7497 H 1 UNL1111111111 0.1507 45 H -1.5564 4.7168 0.2746 H 1 UNL1111111111 0.1856 46 H -1.3277 4.0397 -1.3507 H 1 UNL1111111111 0.1844 47 H -0.1155 5.1545 -0.6660 H 1 UNL1111111111 0.1816 @BOND 1 1 8 1 2 1 21 1 3 2 21 2 4 3 6 1 5 3 11 1 6 3 14 1 7 4 12 2 8 4 17 1 9 5 6 1 10 5 8 1 11 5 9 1 12 5 26 1 13 6 10 1 14 6 27 1 15 7 8 1 16 7 10 1 17 7 12 1 18 7 16 1 19 8 28 1 20 9 13 1 21 9 15 1 22 9 29 1 23 10 30 1 24 10 31 1 25 11 12 1 26 11 13 1 27 11 32 1 28 13 33 1 29 13 34 1 30 14 15 1 31 14 35 1 32 14 36 1 33 15 18 2 34 16 17 ar 35 16 19 ar 36 17 20 ar 37 18 23 1 38 18 37 1 39 19 22 ar 40 19 38 1 41 20 24 ar 42 20 39 1 43 21 25 1 44 22 24 ar 45 22 40 1 46 23 41 1 47 23 42 1 48 23 43 1 49 24 44 1 50 25 45 1 51 25 46 1 52 25 47 1