@MOLECULE [(1as,8s,8ar,8bs)-8a-methoxy-5-methyl-6-({2-[(4-nitrophenyl)disulfanyl]ethyl}amino)-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 62 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.1180 0.6419 -1.3013 C.3 1 UNL1 0.4031 2 C -6.5621 0.2927 -0.9076 C.3 1 UNL1 -0.1241 3 C -3.9474 -0.3772 -1.0842 C.3 1 UNL1 -0.1362 4 C -7.0636 1.4034 0.0127 C.3 1 UNL1 -0.0871 5 C 5.7849 -0.3878 -1.6593 C.ar 1 UNL1 -0.1670 6 C 6.2067 -0.5520 0.7241 C.ar 1 UNL1 -0.1843 7 C 6.8948 0.4373 -1.8046 C.ar 1 UNL1 -0.0752 8 C 7.3157 0.2791 0.5891 C.ar 1 UNL1 -0.0752 9 C -4.4223 -1.6590 -0.3951 C.3 1 UNL1 -0.0095 10 C 1.0026 -0.5966 1.1676 C.3 1 UNL1 -0.0525 11 C 2.3204 -0.6706 1.9449 C.3 1 UNL1 -0.3946 12 C -4.2005 1.7768 -3.2046 C.3 1 UNL1 -0.1746 13 C -0.9534 2.9680 2.6250 C.3 1 UNL1 -0.4014 14 H -7.5307 -0.5287 0.8027 H 1 UNL1 0.2708 15 H 0.7034 1.1737 2.3065 H 1 UNL1 0.3122 16 H -1.3508 -3.8385 -0.1002 H 1 UNL1 0.3244 17 H -2.1113 -5.3359 0.2830 H 1 UNL1 0.3199 18 C 5.4431 -0.8781 -0.3953 C.ar 1 UNL1 -0.0537 19 C 7.6493 0.7689 -0.6753 C.ar 1 UNL1 -0.0865 20 O -3.5352 3.4309 1.6292 O.2 1 UNL1 -0.4466 21 O -1.0436 -0.9083 -0.3373 O.2 1 UNL1 -0.4504 22 O -4.4879 -4.3053 0.1508 O.2 1 UNL1 -0.5593 23 O 9.4389 1.9272 0.1829 O.2 1 UNL1 -0.3942 24 C -5.9349 2.4174 0.2297 C.3 1 UNL1 -0.0577 25 C -3.4190 -3.7660 -0.0291 C.2 1 UNL1 0.7247 26 O -5.2448 0.9952 -2.6483 O.3 1 UNL1 -0.4101 27 O -3.2369 -2.4615 -0.3815 O.3 1 UNL1 -0.4051 28 C -2.9329 2.4644 1.2171 C.2 1 UNL1 0.4749 29 C -1.6599 0.0173 0.1373 C.2 1 UNL1 0.4869 30 C -0.9861 0.9254 1.1718 C.2 1 UNL1 0.1776 31 C -1.6062 2.0635 1.6352 C.2 1 UNL1 -0.3397 32 O 9.0838 2.0469 -1.9368 O.2 1 UNL1 -0.3924 33 N 0.2476 0.5796 1.6274 N.pl3 1 UNL1 -0.4754 34 C -3.5783 1.5637 0.2061 C.2 1 UNL1 0.1687 35 C -2.9974 0.3980 -0.2149 C.2 1 UNL1 -0.3296 36 N 8.8054 1.6419 -0.8201 N.pl3 1 UNL1 0.6235 37 S 3.3153 -2.1338 1.4995 S.3 1 UNL1 0.0402 38 S 4.0205 -1.9323 -0.3471 S.3 1 UNL1 0.0407 39 N -6.7464 0.0578 0.5392 N.3 1 UNL1 -0.4699 40 N -2.1836 -4.3630 0.0798 N.am 1 UNL1 -0.6868 41 N -4.7570 1.8440 -0.4540 N.pl3 1 UNL1 -0.4036 42 H -7.1578 -0.2023 -1.6704 H 1 UNL1 0.1788 43 H -3.4819 -0.6400 -2.0654 H 1 UNL1 0.1862 44 H -8.0759 1.7956 0.0060 H 1 UNL1 0.1615 45 H -6.1762 3.3941 -0.2454 H 1 UNL1 0.1597 46 H -5.7370 2.6050 1.3089 H 1 UNL1 0.1815 47 H -4.7396 -1.4948 0.6525 H 1 UNL1 0.1632 48 H -5.2230 -2.1721 -0.9551 H 1 UNL1 0.1421 49 H -3.2226 1.3078 -3.0609 H 1 UNL1 0.1317 50 H -4.4699 1.8017 -4.2676 H 1 UNL1 0.1435 51 H -4.2150 2.7847 -2.7746 H 1 UNL1 0.1416 52 H -1.5943 3.8366 2.8640 H 1 UNL1 0.1785 53 H -0.7611 2.4630 3.5814 H 1 UNL1 0.1404 54 H -0.0102 3.3833 2.2455 H 1 UNL1 0.1387 55 H 1.1765 -0.5152 0.0645 H 1 UNL1 0.1735 56 H 0.3872 -1.5187 1.3224 H 1 UNL1 0.1726 57 H 2.9095 0.2571 1.8166 H 1 UNL1 0.1672 58 H 2.1290 -0.7663 3.0356 H 1 UNL1 0.1801 59 H 5.1925 -0.6367 -2.5445 H 1 UNL1 0.1781 60 H 5.9681 -0.9405 1.7167 H 1 UNL1 0.1761 61 H 7.1744 0.8280 -2.7897 H 1 UNL1 0.1906 62 H 7.9223 0.5443 1.4625 H 1 UNL1 0.1893 @BOND 1 50 12 1 2 12 49 1 3 12 51 1 4 12 26 1 5 61 7 1 6 26 1 1 7 59 5 1 8 43 3 1 9 32 36 2 10 7 5 ar 11 7 19 ar 12 42 2 1 13 5 18 ar 14 1 3 1 15 1 2 1 16 1 41 1 17 3 9 1 18 3 35 1 19 48 9 1 20 2 4 1 21 2 39 1 22 36 19 1 23 36 23 2 24 19 8 ar 25 41 34 1 26 41 24 1 27 18 38 1 28 18 6 ar 29 9 27 1 30 9 47 1 31 27 25 1 32 38 37 1 33 21 29 2 34 45 24 1 35 35 29 1 36 35 34 2 37 16 40 1 38 25 40 am 39 25 22 2 40 44 4 1 41 4 24 1 42 4 39 1 43 55 10 1 44 40 17 1 45 29 30 1 46 34 28 1 47 24 46 1 48 39 14 1 49 8 6 ar 50 8 62 1 51 6 60 1 52 10 56 1 53 10 33 1 54 10 11 1 55 30 33 1 56 30 31 2 57 28 20 2 58 28 31 1 59 37 11 1 60 33 15 1 61 31 13 1 62 57 11 1 63 11 58 1 64 54 13 1 65 13 52 1 66 13 53 1