@MOLECULE (4s,4as)-7-methoxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1h-benzo[f]indol-6-yl dimethylcarbamate 54 56 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.6987 0.5700 -0.0121 O.3 1 UNL11111111 -0.4512 2 O -2.3763 -2.8354 0.8571 O.3 1 UNL11111111 -0.3790 3 O 6.0634 0.4363 -0.6860 O.2 1 UNL11111111 -0.4745 4 O -4.8315 -0.0910 0.4187 O.2 1 UNL11111111 -0.5720 5 N 4.1349 -0.8100 -0.9211 N.am 1 UNL11111111 -0.4801 6 N -4.4120 1.8241 -0.8018 N.am 1 UNL11111111 -0.4273 7 C 0.2700 0.2038 0.4653 C.3 1 UNL11111111 0.0858 8 C 1.5357 0.6165 1.2987 C.3 1 UNL11111111 -0.1043 9 C -0.9176 0.1538 1.4521 C.3 1 UNL11111111 -0.3186 10 C 0.4459 -1.1578 -0.1791 C.2 1 UNL11111111 0.0022 11 C -2.1971 -0.4447 0.8781 C.3 1 UNL11111111 0.1035 12 C 2.7882 0.4111 0.5305 C.2 1 UNL11111111 -0.0218 13 C 0.0165 1.2126 -0.6627 C.3 1 UNL11111111 -0.4470 14 C -1.9905 -1.7286 0.0502 C.3 1 UNL11111111 0.0679 15 C 2.8161 -0.7242 -0.4378 C.2 1 UNL11111111 0.1625 16 C -0.5744 -2.0167 -0.3272 C.2 1 UNL11111111 -0.2027 17 C 1.7504 -1.4863 -0.7338 C.2 1 UNL11111111 -0.2480 18 C 1.4286 2.0513 1.8233 C.3 1 UNL11111111 -0.4398 19 C 4.0118 0.9853 0.5643 C.2 1 UNL11111111 -0.1091 20 C 4.9135 0.2452 -0.3924 C.2 1 UNL11111111 0.5690 21 C 4.5625 2.1051 1.3366 C.3 1 UNL11111111 -0.4246 22 C 4.5658 -1.7207 -1.9651 C.3 1 UNL11111111 -0.2079 23 C -4.0536 0.6754 -0.1101 C.2 1 UNL11111111 0.7008 24 C -3.7519 -3.1595 0.7722 C.3 1 UNL11111111 -0.2123 25 C -5.7690 1.8322 -1.3651 C.3 1 UNL11111111 -0.2404 26 C -3.3942 2.4952 -1.6174 C.3 1 UNL11111111 -0.2388 27 H 1.5846 -0.0816 2.1838 H 1 UNL11111111 0.1620 28 H -1.1392 1.1756 1.8220 H 1 UNL11111111 0.1589 29 H -0.6322 -0.4495 2.3405 H 1 UNL11111111 0.1622 30 H -2.9416 -0.6297 1.6911 H 1 UNL11111111 0.1605 31 H 0.9131 1.3523 -1.2774 H 1 UNL11111111 0.1501 32 H -0.7872 0.8646 -1.3248 H 1 UNL11111111 0.1578 33 H -0.2835 2.1891 -0.2714 H 1 UNL11111111 0.1459 34 H -2.6170 -1.6771 -0.8755 H 1 UNL11111111 0.1419 35 H -0.4334 -3.0084 -0.7581 H 1 UNL11111111 0.1635 36 H 1.8135 -2.3410 -1.4023 H 1 UNL11111111 0.1699 37 H 1.5597 2.7833 1.0176 H 1 UNL11111111 0.1521 38 H 2.1944 2.2509 2.5818 H 1 UNL11111111 0.1473 39 H 0.4572 2.2475 2.2903 H 1 UNL11111111 0.1478 40 H 4.4922 1.9302 2.4221 H 1 UNL11111111 0.1623 41 H 4.0410 3.0505 1.1181 H 1 UNL11111111 0.1625 42 H 5.6314 2.2731 1.1104 H 1 UNL11111111 0.1757 43 H 3.9869 -1.5719 -2.8942 H 1 UNL11111111 0.1420 44 H 4.4507 -2.7700 -1.6365 H 1 UNL11111111 0.1474 45 H 5.6370 -1.5473 -2.1930 H 1 UNL11111111 0.1709 46 H -4.3899 -2.2997 1.0129 H 1 UNL11111111 0.1499 47 H -3.9920 -3.5499 -0.2208 H 1 UNL11111111 0.1202 48 H -3.8660 -3.9419 1.5320 H 1 UNL11111111 0.1437 49 H -6.1185 2.8761 -1.4462 H 1 UNL11111111 0.1498 50 H -6.4654 1.2987 -0.6868 H 1 UNL11111111 0.1760 51 H -5.8242 1.3564 -2.3574 H 1 UNL11111111 0.1339 52 H -3.1024 1.9148 -2.5091 H 1 UNL11111111 0.1363 53 H -2.4849 2.6689 -1.0080 H 1 UNL11111111 0.1682 54 H -3.7691 3.4808 -1.9416 H 1 UNL11111111 0.1488 @BOND 1 43 22 1 2 52 26 1 3 51 25 1 4 45 22 1 5 22 44 1 6 22 5 1 7 54 26 1 8 26 53 1 9 26 6 1 10 49 25 1 11 36 17 1 12 25 6 1 13 25 50 1 14 32 13 1 15 31 13 1 16 5 15 1 17 5 20 am 18 34 14 1 19 6 23 am 20 35 16 1 21 17 15 2 22 17 10 1 23 3 20 2 24 13 33 1 25 13 7 1 26 15 12 1 27 20 19 1 28 16 10 2 29 16 14 1 30 47 24 1 31 10 7 1 32 23 1 1 33 23 4 2 34 1 11 1 35 14 2 1 36 14 11 1 37 7 8 1 38 7 9 1 39 12 19 2 40 12 8 1 41 19 21 1 42 24 2 1 43 24 46 1 44 24 48 1 45 11 9 1 46 11 30 1 47 37 18 1 48 42 21 1 49 41 21 1 50 8 18 1 51 8 27 1 52 21 40 1 53 9 28 1 54 9 29 1 55 18 39 1 56 18 38 1