@MOLECULE [(1as,8r,8as,8bs)-7-hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6165 -0.6325 -1.9188 O.3 1 UNL1111111111 -0.3806 2 O -1.2034 1.8574 1.1287 O.3 1 UNL1111111111 -0.4505 3 O 1.0053 -2.6380 1.0395 O.3 1 UNL1111111111 -0.3225 4 O 1.8045 2.0298 -1.7926 O.3 1 UNL1111111111 -0.3854 5 O 0.4505 3.3051 1.7586 O.2 1 UNL1111111111 -0.5198 6 O 4.9407 0.1970 -0.6361 O.2 1 UNL1111111111 -0.1995 7 N -4.1830 -0.8880 0.4530 N.3 1 UNL1111111111 -0.4564 8 N -1.2352 -1.2066 -0.2146 N.pl3 1 UNL1111111111 -0.4158 9 N 3.9435 0.7589 -0.9697 N.2 1 UNL1111111111 0.1081 10 N 0.2139 1.2292 2.7441 N.am 1 UNL1111111111 -0.6626 11 C -3.1547 0.1624 0.3159 C.3 1 UNL1111111111 -0.1306 12 C -2.0701 -0.0691 -0.7453 C.3 1 UNL1111111111 0.3670 13 C -3.0225 -0.9455 1.3604 C.3 1 UNL1111111111 -0.0769 14 C -1.8455 -1.8395 0.9743 C.3 1 UNL1111111111 -0.1087 15 C -1.0609 1.0805 -1.1035 C.3 1 UNL1111111111 -0.1668 16 C 0.0977 -0.8101 -0.2158 C.ar 1 UNL1111111111 0.2608 17 C 0.2704 0.4409 -0.8539 C.ar 1 UNL1111111111 -0.3375 18 C -1.2390 2.3189 -0.2156 C.3 1 UNL1111111111 -0.0161 19 C 1.2054 -1.5195 0.2674 C.ar 1 UNL1111111111 -0.0480 20 C 1.5560 0.8969 -1.1130 C.ar 1 UNL1111111111 0.3905 21 C -3.5756 0.1755 -2.5771 C.3 1 UNL1111111111 -0.2041 22 C 2.4976 -1.0348 0.0532 C.ar 1 UNL1111111111 0.1616 23 C 2.6872 0.1707 -0.6553 C.ar 1 UNL1111111111 -0.2604 24 C 3.6557 -1.7969 0.5849 C.3 1 UNL1111111111 -0.4543 25 C -0.0918 2.2318 1.8588 C.2 1 UNL1111111111 0.7291 26 C 0.8495 -3.8196 0.2505 C.3 1 UNL1111111111 -0.2033 27 H -3.4571 1.1822 0.5473 H 1 UNL1111111111 0.1947 28 H -3.2305 -0.8125 2.4224 H 1 UNL1111111111 0.1848 29 H -4.2177 -1.5747 -0.2964 H 1 UNL1111111111 0.2736 30 H -1.1152 -1.9600 1.8024 H 1 UNL1111111111 0.1704 31 H -2.1797 -2.8634 0.6878 H 1 UNL1111111111 0.1666 32 H -1.1914 1.3522 -2.1769 H 1 UNL1111111111 0.1709 33 H -2.2378 2.7811 -0.3206 H 1 UNL1111111111 0.1418 34 H -0.4682 3.0921 -0.4053 H 1 UNL1111111111 0.1589 35 H -3.8572 -0.4512 -3.4354 H 1 UNL1111111111 0.1561 36 H -3.1389 1.1156 -2.9253 H 1 UNL1111111111 0.1240 37 H -4.4486 0.3618 -1.9423 H 1 UNL1111111111 0.1373 38 H 0.9678 2.4767 -2.0881 H 1 UNL1111111111 0.3166 39 H 4.2825 -1.1707 1.2435 H 1 UNL1111111111 0.1800 40 H 3.3521 -2.6762 1.1675 H 1 UNL1111111111 0.1708 41 H 4.3175 -2.1409 -0.2269 H 1 UNL1111111111 0.1782 42 H -0.0187 -3.7314 -0.4109 H 1 UNL1111111111 0.1379 43 H 0.6926 -4.5950 1.0078 H 1 UNL1111111111 0.1432 44 H 1.7542 -4.0168 -0.3316 H 1 UNL1111111111 0.1336 45 H -0.1999 0.3264 2.6398 H 1 UNL1111111111 0.3160 46 H 0.9887 1.3295 3.3670 H 1 UNL1111111111 0.3272 @BOND 1 1 12 1 2 1 21 1 3 2 18 1 4 2 25 1 5 3 19 1 6 3 26 1 7 4 20 1 8 4 38 1 9 5 25 2 10 6 9 2 11 7 11 1 12 7 13 1 13 7 29 1 14 8 12 1 15 8 14 1 16 8 16 1 17 9 23 1 18 10 25 am 19 10 45 1 20 10 46 1 21 11 12 1 22 11 13 1 23 11 27 1 24 12 15 1 25 13 14 1 26 13 28 1 27 14 30 1 28 14 31 1 29 15 17 1 30 15 18 1 31 15 32 1 32 16 17 ar 33 16 19 ar 34 17 20 ar 35 18 33 1 36 18 34 1 37 19 22 ar 38 20 23 ar 39 21 35 1 40 21 36 1 41 21 37 1 42 22 23 ar 43 22 24 1 44 24 39 1 45 24 40 1 46 24 41 1 47 26 42 1 48 26 43 1 49 26 44 1