@MOLECULE (2s,7ar,8r,8as,11s,11as,11br,11cr)-8-ethyl-11-methyl-2-[(2s,4s)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2h)-one 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7640 0.6352 -0.6508 O.3 1 UNL1111111111 -0.4131 2 O 3.8328 -0.7602 0.5308 O.3 1 UNL1111111111 -0.4010 3 O -3.8884 2.4230 -1.9677 O.2 1 UNL1111111111 -0.4427 4 O 5.7864 -0.6792 -0.5203 O.2 1 UNL1111111111 -0.4493 5 N 0.9344 -1.1373 0.3984 N.3 1 UNL1111111111 -0.4654 6 C -0.6881 0.6529 0.1328 C.3 1 UNL1111111111 -0.1643 7 C -0.5010 -0.8197 0.5771 C.3 1 UNL1111111111 0.0428 8 C -1.9428 1.2258 0.7722 C.3 1 UNL1111111111 -0.1727 9 C -1.5815 -1.6984 -0.0712 C.3 1 UNL1111111111 -0.1368 10 C -2.9390 -1.2571 0.5368 C.3 1 UNL1111111111 -0.1577 11 C -3.1536 0.2638 0.6019 C.3 1 UNL1111111111 0.0911 12 C 0.6521 1.2869 0.5253 C.3 1 UNL1111111111 -0.3123 13 C 1.6592 0.1528 0.1950 C.3 1 UNL1111111111 0.0125 14 C -2.4124 2.4810 0.0014 C.3 1 UNL1111111111 -0.2041 15 C -1.6646 -1.6367 -1.6044 C.3 1 UNL1111111111 -0.2806 16 C 1.2828 -2.1676 -0.5841 C.3 1 UNL1111111111 -0.0994 17 C 2.8813 0.1295 1.1373 C.3 1 UNL1111111111 0.1043 18 C -3.1343 -1.8543 1.9463 C.3 1 UNL1111111111 -0.2656 19 C -0.5759 -2.4605 -2.2975 C.3 1 UNL1111111111 -0.2620 20 C 0.8313 -1.9192 -2.0349 C.3 1 UNL1111111111 -0.3087 21 C -3.4169 1.9166 -0.9914 C.2 1 UNL1111111111 0.5808 22 C 3.5858 1.4925 1.2889 C.3 1 UNL1111111111 -0.3429 23 C -3.0940 3.5076 0.8948 C.3 1 UNL1111111111 -0.4372 24 C -3.3796 -3.3620 1.8917 C.3 1 UNL1111111111 -0.4319 25 C 4.8396 1.3917 0.4060 C.3 1 UNL1111111111 -0.1854 26 C 4.9256 -0.0851 0.0625 C.2 1 UNL1111111111 0.5793 27 C 4.7347 2.2035 -0.8786 C.3 1 UNL1111111111 -0.4363 28 H -0.7882 0.6915 -0.9815 H 1 UNL1111111111 0.1584 29 H -0.6391 -0.8881 1.6966 H 1 UNL1111111111 0.1415 30 H -1.7697 1.4411 1.8458 H 1 UNL1111111111 0.1569 31 H -1.3876 -2.7611 0.2184 H 1 UNL1111111111 0.1536 32 H -3.7572 -1.6611 -0.1212 H 1 UNL1111111111 0.1718 33 H -3.9281 0.5055 1.3691 H 1 UNL1111111111 0.1322 34 H 0.8646 2.2051 -0.0384 H 1 UNL1111111111 0.1420 35 H 0.6755 1.5482 1.5956 H 1 UNL1111111111 0.1486 36 H 2.0208 0.2668 -0.8568 H 1 UNL1111111111 0.1384 37 H -1.5689 2.9619 -0.5461 H 1 UNL1111111111 0.1737 38 H -1.6361 -0.5880 -1.9571 H 1 UNL1111111111 0.1458 39 H -2.6569 -2.0114 -1.9324 H 1 UNL1111111111 0.1447 40 H 0.8668 -3.1302 -0.2093 H 1 UNL1111111111 0.1437 41 H 2.3944 -2.2864 -0.5497 H 1 UNL1111111111 0.1592 42 H 2.6401 -0.3578 2.1058 H 1 UNL1111111111 0.1634 43 H -3.9934 -1.3680 2.4493 H 1 UNL1111111111 0.1374 44 H -2.2533 -1.6384 2.5806 H 1 UNL1111111111 0.1395 45 H -0.7688 -2.4659 -3.3896 H 1 UNL1111111111 0.1375 46 H -0.6410 -3.5185 -1.9802 H 1 UNL1111111111 0.1361 47 H 1.5487 -2.4041 -2.7249 H 1 UNL1111111111 0.1422 48 H 0.8738 -0.8408 -2.2722 H 1 UNL1111111111 0.1398 49 H 3.8536 1.6765 2.3433 H 1 UNL1111111111 0.1524 50 H 2.9432 2.3364 0.9943 H 1 UNL1111111111 0.1610 51 H -3.5083 4.3363 0.3015 H 1 UNL1111111111 0.1633 52 H -3.9236 3.0749 1.4674 H 1 UNL1111111111 0.1525 53 H -2.3885 3.9433 1.6125 H 1 UNL1111111111 0.1515 54 H -4.2510 -3.6060 1.2729 H 1 UNL1111111111 0.1463 55 H -2.5201 -3.9012 1.4766 H 1 UNL1111111111 0.1466 56 H -3.5628 -3.7679 2.8931 H 1 UNL1111111111 0.1414 57 H 5.7534 1.6926 0.9701 H 1 UNL1111111111 0.1689 58 H 3.8316 1.9564 -1.4506 H 1 UNL1111111111 0.1529 59 H 4.7116 3.2797 -0.6713 H 1 UNL1111111111 0.1508 60 H 5.5961 2.0157 -1.5373 H 1 UNL1111111111 0.1650 @BOND 1 1 11 1 2 1 21 1 3 2 17 1 4 2 26 1 5 3 21 2 6 4 26 2 7 5 7 1 8 5 13 1 9 5 16 1 10 6 7 1 11 6 8 1 12 6 12 1 13 6 28 1 14 7 9 1 15 7 29 1 16 8 11 1 17 8 14 1 18 8 30 1 19 9 10 1 20 9 15 1 21 9 31 1 22 10 11 1 23 10 18 1 24 10 32 1 25 11 33 1 26 12 13 1 27 12 34 1 28 12 35 1 29 13 17 1 30 13 36 1 31 14 21 1 32 14 23 1 33 14 37 1 34 15 19 1 35 15 38 1 36 15 39 1 37 16 20 1 38 16 40 1 39 16 41 1 40 17 22 1 41 17 42 1 42 18 24 1 43 18 43 1 44 18 44 1 45 19 20 1 46 19 45 1 47 19 46 1 48 20 47 1 49 20 48 1 50 22 25 1 51 22 49 1 52 22 50 1 53 23 51 1 54 23 52 1 55 23 53 1 56 24 54 1 57 24 55 1 58 24 56 1 59 25 26 1 60 25 27 1 61 25 57 1 62 27 58 1 63 27 59 1 64 27 60 1