@MOLECULE 4-[(3s,3ar,5ar,6s,9as,9br)-3-hydroxy-3a,6-dimethyldodecahydro-1h-cyclopenta[a]naphthalen-6-yl]-2-butanone 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0840 -1.8692 1.3055 O.3 1 UNL1111111111 -0.5678 2 O 4.6662 -2.0772 0.4760 O.2 1 UNL1111111111 -0.4599 3 C -2.3660 0.4357 0.3810 C.3 1 UNL1111111111 -0.1355 4 C -2.6862 -0.8389 -0.4432 C.3 1 UNL1111111111 0.0128 5 C -1.0651 1.0823 -0.0932 C.3 1 UNL1111111111 -0.1214 6 C 0.0798 0.0649 0.1606 C.3 1 UNL1111111111 -0.1324 7 C 1.4614 0.6489 -0.2639 C.3 1 UNL1111111111 0.0784 8 C -1.5890 -1.8637 -0.1507 C.3 1 UNL1111111111 -0.2901 9 C -0.2148 -1.2813 -0.5330 C.3 1 UNL1111111111 -0.2779 10 C -4.1143 -1.1819 0.0689 C.3 1 UNL1111111111 0.1349 11 C -3.6650 1.2540 0.3102 C.3 1 UNL1111111111 -0.2772 12 C -0.7989 2.3840 0.6752 C.3 1 UNL1111111111 -0.2830 13 C -4.7747 0.1808 0.3920 C.3 1 UNL1111111111 -0.2957 14 C 1.6761 1.9938 0.4702 C.3 1 UNL1111111111 -0.2901 15 C 0.5350 2.9873 0.2301 C.3 1 UNL1111111111 -0.2641 16 C -2.8014 -0.5975 -1.9546 C.3 1 UNL1111111111 -0.4609 17 C 2.5610 -0.3450 0.1900 C.3 1 UNL1111111111 -0.2854 18 C 1.5482 0.8566 -1.7821 C.3 1 UNL1111111111 -0.4614 19 C 3.9900 0.1471 -0.0534 C.3 1 UNL1111111111 -0.3818 20 C 4.9907 -0.9370 0.2619 C.2 1 UNL1111111111 0.4991 21 C 6.4326 -0.5146 0.2920 C.3 1 UNL1111111111 -0.5596 22 H -2.2305 0.1257 1.4516 H 1 UNL1111111111 0.1524 23 H -1.1281 1.3128 -1.1803 H 1 UNL1111111111 0.1380 24 H 0.1224 -0.1205 1.2624 H 1 UNL1111111111 0.1390 25 H -1.7649 -2.8006 -0.7079 H 1 UNL1111111111 0.1345 26 H -1.5884 -2.1305 0.9240 H 1 UNL1111111111 0.1440 27 H 0.5687 -2.0180 -0.2669 H 1 UNL1111111111 0.1414 28 H -0.1570 -1.1608 -1.6301 H 1 UNL1111111111 0.1404 29 H -4.6983 -1.7942 -0.6421 H 1 UNL1111111111 0.1097 30 H -3.7288 1.8314 -0.6245 H 1 UNL1111111111 0.1345 31 H -3.7390 1.9789 1.1333 H 1 UNL1111111111 0.1357 32 H -0.7884 2.1913 1.7639 H 1 UNL1111111111 0.1406 33 H -1.6210 3.1014 0.5001 H 1 UNL1111111111 0.1347 34 H -5.2091 0.1405 1.4090 H 1 UNL1111111111 0.1634 35 H -5.6018 0.3975 -0.2966 H 1 UNL1111111111 0.1352 36 H 2.6294 2.4497 0.1479 H 1 UNL1111111111 0.1288 37 H 1.7765 1.8049 1.5560 H 1 UNL1111111111 0.1390 38 H 0.4895 3.2669 -0.8388 H 1 UNL1111111111 0.1349 39 H 0.7310 3.9261 0.7799 H 1 UNL1111111111 0.1289 40 H -3.5829 0.1331 -2.1880 H 1 UNL1111111111 0.1472 41 H -1.8668 -0.2116 -2.3769 H 1 UNL1111111111 0.1518 42 H -3.0383 -1.5254 -2.4855 H 1 UNL1111111111 0.1424 43 H 2.4247 -1.3142 -0.3348 H 1 UNL1111111111 0.1599 44 H 2.4315 -0.5806 1.2642 H 1 UNL1111111111 0.1479 45 H 0.6678 1.3850 -2.1643 H 1 UNL1111111111 0.1474 46 H 2.4237 1.4529 -2.0571 H 1 UNL1111111111 0.1393 47 H 1.6169 -0.0972 -2.3158 H 1 UNL1111111111 0.1454 48 H -3.6139 -2.7186 1.2219 H 1 UNL1111111111 0.3114 49 H 4.1145 0.4591 -1.1108 H 1 UNL1111111111 0.1679 50 H 4.2029 1.0492 0.5533 H 1 UNL1111111111 0.1613 51 H 6.6435 0.1027 1.1752 H 1 UNL1111111111 0.1740 52 H 6.7126 0.0642 -0.5952 H 1 UNL1111111111 0.1682 53 H 7.1009 -1.3877 0.3436 H 1 UNL1111111111 0.1799 @BOND 1 1 10 1 2 1 48 1 3 2 20 2 4 3 4 1 5 3 5 1 6 3 11 1 7 3 22 1 8 4 8 1 9 4 10 1 10 4 16 1 11 5 6 1 12 5 12 1 13 5 23 1 14 6 7 1 15 6 9 1 16 6 24 1 17 7 14 1 18 7 17 1 19 7 18 1 20 8 9 1 21 8 25 1 22 8 26 1 23 9 27 1 24 9 28 1 25 10 13 1 26 10 29 1 27 11 13 1 28 11 30 1 29 11 31 1 30 12 15 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 14 15 1 36 14 36 1 37 14 37 1 38 15 38 1 39 15 39 1 40 16 40 1 41 16 41 1 42 16 42 1 43 17 19 1 44 17 43 1 45 17 44 1 46 18 45 1 47 18 46 1 48 18 47 1 49 19 20 1 50 19 49 1 51 19 50 1 52 20 21 1 53 21 51 1 54 21 52 1 55 21 53 1