@MOLECULE (4as,4bs,10bs,12as)-8-methoxy-2,2,12a-trimethyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-1(2h)-chrysenone 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0502 -1.8954 0.3906 O.2 1 UNL1111111111 -0.4722 2 O 6.2537 -0.2876 -0.0084 O.3 1 UNL1111111111 -0.3183 3 C -1.6087 0.3970 -0.6549 C.3 1 UNL1111111111 -0.1285 4 C -2.1323 -0.4981 0.4864 C.3 1 UNL1111111111 -0.0228 5 C -0.0915 0.6610 -0.6204 C.3 1 UNL1111111111 -0.1116 6 C 0.6633 -0.6879 -0.5893 C.3 1 UNL1111111111 -0.1039 7 C -1.3512 -1.8277 0.4522 C.3 1 UNL1111111111 -0.2776 8 C -2.4314 1.6880 -0.7489 C.3 1 UNL1111111111 -0.2874 9 C 0.1583 -1.5976 0.5488 C.3 1 UNL1111111111 -0.2671 10 C -4.5513 0.3355 -0.2486 C.3 1 UNL1111111111 -0.0006 11 C -3.6137 -0.7858 0.2098 C.2 1 UNL1111111111 0.4331 12 C 0.3818 1.5608 0.5241 C.3 1 UNL1111111111 -0.2698 13 C -3.8574 1.3401 -1.1865 C.3 1 UNL1111111111 -0.2878 14 C -2.0792 0.1010 1.8959 C.3 1 UNL1111111111 -0.4492 15 C 2.1459 -0.4879 -0.4322 C.ar 1 UNL1111111111 -0.1057 16 C 1.8578 1.9157 0.3144 C.3 1 UNL1111111111 -0.2916 17 C 2.6988 0.7105 0.0210 C.ar 1 UNL1111111111 0.0776 18 C -5.7278 -0.3086 -0.9977 C.3 1 UNL1111111111 -0.4514 19 C -5.0795 1.0367 1.0102 C.3 1 UNL1111111111 -0.4518 20 C 2.9900 -1.5651 -0.7400 C.ar 1 UNL1111111111 -0.0970 21 C 4.0851 0.8307 0.1832 C.ar 1 UNL1111111111 -0.3368 22 C 4.3623 -1.4669 -0.5878 C.ar 1 UNL1111111111 -0.2615 23 C 4.8976 -0.2561 -0.1184 C.ar 1 UNL1111111111 0.2544 24 C 6.8941 0.8903 0.4599 C.3 1 UNL1111111111 -0.2021 25 H -1.7881 -0.1781 -1.6077 H 1 UNL1111111111 0.1419 26 H 0.1741 1.1730 -1.5830 H 1 UNL1111111111 0.1357 27 H 0.4694 -1.2062 -1.5635 H 1 UNL1111111111 0.1409 28 H -1.5955 -2.3824 -0.4742 H 1 UNL1111111111 0.1463 29 H -1.6948 -2.4832 1.2767 H 1 UNL1111111111 0.1551 30 H -1.9737 2.3840 -1.4764 H 1 UNL1111111111 0.1405 31 H -2.4393 2.2296 0.2136 H 1 UNL1111111111 0.1421 32 H 0.4246 -1.1560 1.5272 H 1 UNL1111111111 0.1431 33 H 0.6872 -2.5693 0.5128 H 1 UNL1111111111 0.1393 34 H 0.2596 1.0495 1.4971 H 1 UNL1111111111 0.1493 35 H -0.2279 2.4793 0.5798 H 1 UNL1111111111 0.1339 36 H -4.4679 2.2608 -1.2523 H 1 UNL1111111111 0.1430 37 H -3.8337 0.9312 -2.2165 H 1 UNL1111111111 0.1438 38 H -2.7680 -0.4196 2.5742 H 1 UNL1111111111 0.1520 39 H -1.0778 0.0039 2.3354 H 1 UNL1111111111 0.1588 40 H -2.3352 1.1649 1.9051 H 1 UNL1111111111 0.1456 41 H 2.2410 2.4491 1.2084 H 1 UNL1111111111 0.1482 42 H 1.9587 2.6345 -0.5272 H 1 UNL1111111111 0.1537 43 H -6.2659 -1.0153 -0.3497 H 1 UNL1111111111 0.1657 44 H -6.4441 0.4410 -1.3450 H 1 UNL1111111111 0.1426 45 H -5.3866 -0.8837 -1.8668 H 1 UNL1111111111 0.1497 46 H -5.9024 1.7173 0.7634 H 1 UNL1111111111 0.1506 47 H -5.4660 0.3119 1.7379 H 1 UNL1111111111 0.1552 48 H -4.3041 1.6301 1.5052 H 1 UNL1111111111 0.1477 49 H 2.5566 -2.4975 -1.1050 H 1 UNL1111111111 0.1537 50 H 4.5040 1.7647 0.5377 H 1 UNL1111111111 0.1619 51 H 5.0237 -2.2960 -0.8214 H 1 UNL1111111111 0.1716 52 H 6.7260 1.7261 -0.2261 H 1 UNL1111111111 0.1330 53 H 7.9525 0.5961 0.4549 H 1 UNL1111111111 0.1513 54 H 6.5696 1.1341 1.4761 H 1 UNL1111111111 0.1334 @BOND 1 1 11 2 2 2 23 1 3 2 24 1 4 3 4 1 5 3 5 1 6 3 8 1 7 3 25 1 8 4 7 1 9 4 11 1 10 4 14 1 11 5 6 1 12 5 12 1 13 5 26 1 14 6 9 1 15 6 15 1 16 6 27 1 17 7 9 1 18 7 28 1 19 7 29 1 20 8 13 1 21 8 30 1 22 8 31 1 23 9 32 1 24 9 33 1 25 10 11 1 26 10 13 1 27 10 18 1 28 10 19 1 29 12 16 1 30 12 34 1 31 12 35 1 32 13 36 1 33 13 37 1 34 14 38 1 35 14 39 1 36 14 40 1 37 15 17 ar 38 15 20 ar 39 16 17 1 40 16 41 1 41 16 42 1 42 17 21 ar 43 18 43 1 44 18 44 1 45 18 45 1 46 19 46 1 47 19 47 1 48 19 48 1 49 20 22 ar 50 20 49 1 51 21 23 ar 52 21 50 1 53 22 23 ar 54 22 51 1 55 24 52 1 56 24 53 1 57 24 54 1