@MOLECULE (4as,6as,7s,11ar,11bs)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,7,8,11,11a,11b-dodecahydro-6ah-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6216 -2.3183 0.8009 O.3 1 UNL1111111111 -0.5650 2 O -0.6554 -3.2543 -1.1939 O.2 1 UNL1111111111 -0.4647 3 O -4.9420 1.7703 1.4101 O.2 1 UNL1111111111 -0.4205 4 C 1.2312 0.5168 -0.6518 C.3 1 UNL1111111111 0.0721 5 C 1.8828 -0.0253 0.6556 C.3 1 UNL1111111111 -0.1455 6 C -0.3142 0.3466 -0.4553 C.3 1 UNL1111111111 -0.1371 7 C -0.7483 -1.1078 -0.1841 C.3 1 UNL1111111111 -0.1371 8 C 3.4027 0.2494 0.8033 C.3 1 UNL1111111111 0.1054 9 C 1.5203 -1.5026 0.8591 C.3 1 UNL1111111111 -0.2872 10 C 1.5423 2.0329 -0.7353 C.3 1 UNL1111111111 -0.2968 11 C 0.0061 -1.6491 1.0394 C.3 1 UNL1111111111 -0.2615 12 C 3.6590 1.7638 0.6151 C.3 1 UNL1111111111 -0.2973 13 C 3.0464 2.3161 -0.6725 C.3 1 UNL1111111111 -0.2625 14 C 1.7162 -0.1632 -1.9323 C.3 1 UNL1111111111 -0.4661 15 C -1.1663 0.9667 -1.5785 C.3 1 UNL1111111111 -0.3001 16 C -2.2949 -1.1687 0.0505 C.3 1 UNL1111111111 0.1628 17 C 4.2829 -0.5662 -0.1503 C.3 1 UNL1111111111 -0.4633 18 C 3.8317 -0.1012 2.2483 C.3 1 UNL1111111111 -0.4720 19 C -0.5275 -2.0621 -1.3460 C.2 1 UNL1111111111 0.3398 20 C -2.8612 0.0036 0.8559 C.3 1 UNL1111111111 -0.2959 21 C -2.4182 1.5962 -1.0583 C.2 1 UNL1111111111 -0.1109 22 C -3.1402 1.1879 -0.0038 C.2 1 UNL1111111111 -0.1453 23 C -4.3363 1.9799 0.3871 C.2 1 UNL1111111111 0.3234 24 H 1.4029 0.5494 1.4961 H 1 UNL1111111111 0.1394 25 H -0.5411 0.9258 0.4845 H 1 UNL1111111111 0.1595 26 H 2.0368 -1.9104 1.7487 H 1 UNL1111111111 0.1459 27 H 1.8700 -2.1173 0.0098 H 1 UNL1111111111 0.1432 28 H 1.0340 2.5655 0.0903 H 1 UNL1111111111 0.1392 29 H 1.1308 2.4565 -1.6698 H 1 UNL1111111111 0.1318 30 H -0.2495 -2.7162 1.2099 H 1 UNL1111111111 0.1634 31 H -0.3309 -1.1236 1.9536 H 1 UNL1111111111 0.1509 32 H 4.7475 1.9575 0.6248 H 1 UNL1111111111 0.1366 33 H 3.2468 2.3152 1.4820 H 1 UNL1111111111 0.1386 34 H 3.5583 1.8871 -1.5541 H 1 UNL1111111111 0.1360 35 H 3.2220 3.4076 -0.7313 H 1 UNL1111111111 0.1306 36 H 2.6960 0.2218 -2.2455 H 1 UNL1111111111 0.1549 37 H 1.8442 -1.2437 -1.8026 H 1 UNL1111111111 0.1510 38 H 1.0361 0.0147 -2.7706 H 1 UNL1111111111 0.1387 39 H -1.4278 0.2120 -2.3491 H 1 UNL1111111111 0.1542 40 H -0.5713 1.7248 -2.1322 H 1 UNL1111111111 0.1567 41 H -2.8299 -1.2497 -0.9264 H 1 UNL1111111111 0.1165 42 H 5.3406 -0.4891 0.1264 H 1 UNL1111111111 0.1434 43 H 4.0170 -1.6280 -0.1345 H 1 UNL1111111111 0.1473 44 H 4.1992 -0.2189 -1.1842 H 1 UNL1111111111 0.1452 45 H 3.1732 0.3604 2.9902 H 1 UNL1111111111 0.1442 46 H 3.8189 -1.1825 2.4192 H 1 UNL1111111111 0.1483 47 H 4.8505 0.2438 2.4513 H 1 UNL1111111111 0.1437 48 H -0.2998 -1.6547 -2.3362 H 1 UNL1111111111 0.1140 49 H -2.1950 0.2728 1.7020 H 1 UNL1111111111 0.1686 50 H -3.7962 -0.3461 1.3675 H 1 UNL1111111111 0.1977 51 H -2.7299 2.4742 -1.6325 H 1 UNL1111111111 0.1424 52 H -2.2075 -3.1174 0.3993 H 1 UNL1111111111 0.3382 53 H -4.6603 2.7815 -0.2908 H 1 UNL1111111111 0.1052 @BOND 1 1 16 1 2 1 52 1 3 2 19 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 14 1 9 5 8 1 10 5 9 1 11 5 24 1 12 6 7 1 13 6 15 1 14 6 25 1 15 7 11 1 16 7 16 1 17 7 19 1 18 8 12 1 19 8 17 1 20 8 18 1 21 9 11 1 22 9 26 1 23 9 27 1 24 10 13 1 25 10 28 1 26 10 29 1 27 11 30 1 28 11 31 1 29 12 13 1 30 12 32 1 31 12 33 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 14 38 1 37 15 21 1 38 15 39 1 39 15 40 1 40 16 20 1 41 16 41 1 42 17 42 1 43 17 43 1 44 17 44 1 45 18 45 1 46 18 46 1 47 18 47 1 48 19 48 1 49 20 22 1 50 20 49 1 51 20 50 1 52 21 22 2 53 21 51 1 54 22 23 1 55 23 53 1