@MOLECULE 8a-(hydroxymethyl)-4,4,6a,11,12,14b-hexamethyl-10-methyleneicosahydro-3(2h)-picenone 77 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4609 2.6722 1.0539 O.3 1 UNL111111 -0.2493 2 O 6.7258 -1.1381 0.4543 O.2 1 UNL111111 -0.4717 3 C 0.7832 0.8802 0.1693 C.3 1 UNL111111 0.0791 4 C 1.4453 -0.5247 0.0666 C.3 1 UNL111111 -0.1465 5 C -0.6641 0.7212 -0.4109 C.3 1 UNL111111 -0.1353 6 C -1.4942 -0.3225 0.3790 C.3 1 UNL111111 -0.1160 7 C 2.9831 -0.5962 0.3163 C.3 1 UNL111111 0.0652 8 C -2.8884 -0.4786 -0.2827 C.3 1 UNL111111 -0.1544 9 C 3.6666 0.4558 -0.6003 C.3 1 UNL111111 -0.1385 10 C -3.6589 0.8604 -0.3024 C.3 1 UNL111111 0.0190 11 C 0.6679 -1.5184 0.9417 C.3 1 UNL111111 -0.2765 12 C 1.5754 1.8517 -0.7344 C.3 1 UNL111111 -0.3029 13 C -0.7562 -1.6729 0.3989 C.3 1 UNL111111 -0.2844 14 C -1.4205 2.0577 -0.4442 C.3 1 UNL111111 -0.2772 15 C 3.0676 1.8519 -0.3929 C.3 1 UNL111111 -0.2710 16 C -2.8043 1.8844 -1.0794 C.3 1 UNL111111 -0.2940 17 C -3.7054 -1.6588 0.2882 C.3 1 UNL111111 -0.1092 18 C 5.2131 0.4740 -0.4721 C.3 1 UNL111111 -0.0173 19 C 3.4477 -2.0180 -0.1327 C.3 1 UNL111111 -0.2878 20 C 0.7262 1.4444 1.5919 C.3 1 UNL111111 -0.4590 21 C -5.0052 0.6820 -1.0446 C.3 1 UNL111111 -0.2253 22 C 3.3539 -0.4260 1.7910 C.3 1 UNL111111 -0.4653 23 C -5.0801 -1.7865 -0.4240 C.3 1 UNL111111 -0.0271 24 C -3.9702 1.4321 1.0967 C.3 1 UNL111111 -0.1089 25 C 4.8726 -2.0699 -0.6917 C.3 1 UNL111111 -0.3867 26 C 5.7066 -0.9361 -0.1559 C.2 1 UNL111111 0.4735 27 C -5.7848 -0.4626 -0.4789 C.2 1 UNL111111 -0.5102 28 C -3.9164 -1.6202 1.8049 C.3 1 UNL111111 -0.4578 29 C 5.8373 0.8453 -1.8306 C.3 1 UNL111111 -0.4555 30 C 5.7490 1.4374 0.5894 C.3 1 UNL111111 -0.4493 31 C -4.9119 -2.3506 -1.8437 C.3 1 UNL111111 -0.4560 32 C -7.0224 -0.3103 -0.0712 C.2 1 UNL111111 0.3272 33 H 1.3071 -0.8398 -1.0047 H 1 UNL111111 0.1350 34 H -0.5642 0.3556 -1.4594 H 1 UNL111111 0.1334 35 H -1.6205 0.0335 1.4260 H 1 UNL111111 0.1351 36 H -2.7003 -0.7390 -1.3608 H 1 UNL111111 0.1428 37 H 3.4289 0.1473 -1.6532 H 1 UNL111111 0.1404 38 H 0.6430 -1.1777 1.9930 H 1 UNL111111 0.1425 39 H 1.1658 -2.5042 0.9595 H 1 UNL111111 0.1328 40 H 1.1773 2.8782 -0.6284 H 1 UNL111111 0.1396 41 H 1.4334 1.5802 -1.7966 H 1 UNL111111 0.1356 42 H -0.7295 -2.1042 -0.6186 H 1 UNL111111 0.1362 43 H -1.3055 -2.3995 1.0268 H 1 UNL111111 0.1383 44 H -0.8501 2.8104 -1.0205 H 1 UNL111111 0.1382 45 H -1.5221 2.4728 0.5738 H 1 UNL111111 0.1436 46 H 3.5954 2.5869 -1.0299 H 1 UNL111111 0.1342 47 H 3.2178 2.1929 0.6481 H 1 UNL111111 0.1451 48 H -3.3281 2.8604 -1.1023 H 1 UNL111111 0.1539 49 H -2.6961 1.5688 -2.1298 H 1 UNL111111 0.1362 50 H -3.1322 -2.5950 0.0542 H 1 UNL111111 0.1364 51 H 2.7552 -2.4194 -0.8972 H 1 UNL111111 0.1416 52 H 3.3664 -2.7101 0.7277 H 1 UNL111111 0.1469 53 H 0.1274 0.8151 2.2578 H 1 UNL111111 0.1453 54 H 1.7248 1.5276 2.0345 H 1 UNL111111 0.1489 55 H 0.2890 2.4490 1.6044 H 1 UNL111111 0.1437 56 H -4.8243 0.4953 -2.1219 H 1 UNL111111 0.1448 57 H -5.5773 1.6339 -0.9904 H 1 UNL111111 0.1464 58 H 2.7396 -1.0583 2.4406 H 1 UNL111111 0.1471 59 H 4.4003 -0.7012 1.9785 H 1 UNL111111 0.1551 60 H 3.2239 0.6089 2.1274 H 1 UNL111111 0.1500 61 H -5.6947 -2.5192 0.1606 H 1 UNL111111 0.1265 62 H -3.0998 1.4051 1.7886 H 1 UNL111111 0.1634 63 H -4.7609 0.8219 1.6179 H 1 UNL111111 0.1864 64 H 4.8601 -2.0194 -1.7984 H 1 UNL111111 0.1602 65 H 5.3456 -3.0423 -0.4442 H 1 UNL111111 0.1687 66 H -4.7439 -0.9576 2.0828 H 1 UNL111111 0.1443 67 H -4.1612 -2.6167 2.1911 H 1 UNL111111 0.1439 68 H -3.0201 -1.2787 2.3340 H 1 UNL111111 0.1504 69 H 5.5530 0.1456 -2.6226 H 1 UNL111111 0.1423 70 H 5.5198 1.8458 -2.1454 H 1 UNL111111 0.1529 71 H 6.9334 0.8538 -1.7718 H 1 UNL111111 0.1578 72 H 5.6117 2.4832 0.2981 H 1 UNL111111 0.1451 73 H 5.2660 1.2928 1.5608 H 1 UNL111111 0.1515 74 H 6.8270 1.2791 0.7486 H 1 UNL111111 0.1665 75 H -4.2618 -1.7191 -2.4567 H 1 UNL111111 0.1492 76 H -4.4784 -3.3561 -1.8240 H 1 UNL111111 0.1426 77 H -5.8788 -2.4127 -2.3574 H 1 UNL111111 0.1480 @BOND 1 75 31 1 2 77 31 1 3 56 21 1 4 69 29 1 5 49 16 1 6 31 76 1 7 31 23 1 8 70 29 1 9 41 12 1 10 64 25 1 11 36 8 1 12 34 5 1 13 29 71 1 14 29 18 1 15 37 9 1 16 21 57 1 17 21 27 1 18 21 10 1 19 48 16 1 20 16 14 1 21 16 10 1 22 44 14 1 23 33 4 1 24 27 23 1 25 27 32 2 26 46 15 1 27 51 19 1 28 23 61 1 29 23 17 1 30 42 13 1 31 12 40 1 32 12 15 1 33 12 3 1 34 14 5 1 35 14 45 1 36 10 8 1 37 10 24 1 38 8 17 1 39 8 6 1 40 5 3 1 41 5 6 1 42 25 65 1 43 25 19 1 44 25 26 1 45 9 15 1 46 9 18 1 47 9 7 1 48 15 47 1 49 18 26 1 50 18 30 1 51 50 17 1 52 19 7 1 53 19 52 1 54 17 28 1 55 4 3 1 56 4 7 1 57 4 11 1 58 26 2 2 59 3 20 1 60 6 13 1 61 6 35 1 62 13 43 1 63 13 11 1 64 7 22 1 65 72 30 1 66 1 24 1 67 24 63 1 68 24 62 1 69 30 74 1 70 30 73 1 71 11 39 1 72 11 38 1 73 28 66 1 74 28 67 1 75 28 68 1 76 20 55 1 77 20 54 1 78 20 53 1 79 22 59 1 80 22 60 1 81 22 58 1