@MOLECULE [(1as,8s,8ar,8bs)-6-amino-5-formyl-8a-methoxy-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5488 1.6346 1.8532 O.3 1 UNL1111111111111 -0.3728 2 O 3.0217 -1.0833 0.1321 O.3 1 UNL1111111111111 -0.4690 3 O -2.8909 2.1462 -0.5027 O.2 1 UNL1111111111111 -0.4516 4 O -1.0667 -2.7817 0.6802 O.2 1 UNL1111111111111 -0.4403 5 O -5.6224 -0.7946 -0.3976 O.2 1 UNL1111111111111 -0.5590 6 O 3.6370 -2.5302 -1.5253 O.2 1 UNL1111111111111 -0.5284 7 N 1.5846 1.6344 -1.9117 N.3 1 UNL1111111111111 -0.4483 8 N -0.1646 1.7553 0.3585 N.pl3 1 UNL1111111111111 -0.3640 9 N -3.6973 -2.4764 0.2527 N.pl3 1 UNL1111111111111 -0.4500 10 N 5.2022 -1.4705 -0.2112 N.am 1 UNL1111111111111 -0.6778 11 C 2.0649 1.6663 -0.5198 C.3 1 UNL1111111111111 -0.1317 12 C 1.1833 1.1077 0.6040 C.3 1 UNL1111111111111 0.3618 13 C 1.3158 2.8552 -1.1334 C.3 1 UNL1111111111111 -0.0826 14 C -0.0435 2.9874 -0.4361 C.3 1 UNL1111111111111 -0.1051 15 C 0.8662 -0.4225 0.7157 C.3 1 UNL1111111111111 -0.1411 16 C -1.1048 0.7840 0.1959 C.2 1 UNL1111111111111 0.1851 17 C -0.6090 -0.4791 0.4424 C.2 1 UNL1111111111111 -0.3833 18 C 1.6530 -1.3028 -0.2476 C.3 1 UNL1111111111111 -0.0015 19 C -2.5442 1.0344 -0.1723 C.2 1 UNL1111111111111 0.4967 20 C -1.4228 -1.6438 0.4757 C.2 1 UNL1111111111111 0.4637 21 C 2.8612 1.3149 2.2814 C.3 1 UNL1111111111111 -0.2002 22 C -3.3976 -0.1230 -0.1191 C.2 1 UNL1111111111111 -0.5428 23 C -2.9178 -1.3942 0.1906 C.2 1 UNL1111111111111 0.2785 24 C -4.8027 0.1087 -0.4126 C.2 1 UNL1111111111111 0.4375 25 C 3.9282 -1.7741 -0.6292 C.2 1 UNL1111111111111 0.7338 26 H 3.1428 1.6036 -0.3801 H 1 UNL1111111111111 0.1918 27 H 1.7897 3.7731 -1.4784 H 1 UNL1111111111111 0.1865 28 H 0.8011 1.0283 -2.1249 H 1 UNL1111111111111 0.2666 29 H -0.0564 3.8640 0.2531 H 1 UNL1111111111111 0.1771 30 H -0.8933 3.1146 -1.1434 H 1 UNL1111111111111 0.1883 31 H 1.0773 -0.7451 1.7700 H 1 UNL1111111111111 0.1930 32 H 1.5292 -1.0299 -1.3092 H 1 UNL1111111111111 0.1468 33 H 1.4118 -2.3777 -0.1148 H 1 UNL1111111111111 0.1692 34 H 3.5804 1.9839 1.7988 H 1 UNL1111111111111 0.1266 35 H 3.1166 0.2645 2.1051 H 1 UNL1111111111111 0.1420 36 H 2.8128 1.5204 3.3603 H 1 UNL1111111111111 0.1560 37 H -5.1241 1.1328 -0.6538 H 1 UNL1111111111111 0.1374 38 H -4.7002 -2.3946 0.0639 H 1 UNL1111111111111 0.3513 39 H -3.3150 -3.3856 0.4596 H 1 UNL1111111111111 0.3219 40 H 5.3751 -0.8400 0.5391 H 1 UNL1111111111111 0.3139 41 H 5.9847 -1.8943 -0.6658 H 1 UNL1111111111111 0.3240 @BOND 1 1 12 1 2 1 21 1 3 2 18 1 4 2 25 1 5 3 19 2 6 4 20 2 7 5 24 2 8 6 25 2 9 7 11 1 10 7 13 1 11 7 28 1 12 8 12 1 13 8 14 1 14 8 16 1 15 9 23 1 16 9 38 1 17 9 39 1 18 10 25 am 19 10 40 1 20 10 41 1 21 11 12 1 22 11 13 1 23 11 26 1 24 12 15 1 25 13 14 1 26 13 27 1 27 14 29 1 28 14 30 1 29 15 17 1 30 15 18 1 31 15 31 1 32 16 17 2 33 16 19 1 34 17 20 1 35 18 32 1 36 18 33 1 37 19 22 1 38 20 23 1 39 21 34 1 40 21 35 1 41 21 36 1 42 22 23 2 43 22 24 1 44 24 37 1