@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 -2.5574 -0.3691 2.0943 O.3 1 UNL1111111111 -0.4024 2 O -1.1353 2.1117 -0.8607 O.3 1 UNL1111111111 -0.4596 3 O 0.7772 -2.4547 -1.3794 O.3 1 UNL1111111111 -0.3224 4 O 1.9636 1.7511 1.9863 O.3 1 UNL1111111111 -0.3858 5 O 0.6078 3.4692 -1.4470 O.2 1 UNL1111111111 -0.5153 6 O 4.9395 -0.1713 0.5602 O.2 1 UNL1111111111 -0.2004 7 N -4.2140 -0.5083 -0.4121 N.3 1 UNL1111111111 -0.4765 8 N -1.3306 -1.0656 0.1391 N.pl3 1 UNL1111111111 -0.4432 9 N 3.9932 0.4271 0.9708 N.2 1 UNL1111111111 0.1078 10 N 0.2117 1.4699 -2.5339 N.am 1 UNL1111111111 -0.6656 11 C -3.1593 0.4898 -0.1281 C.3 1 UNL1111111111 -0.1213 12 C -2.0713 0.0384 0.8583 C.3 1 UNL1111111111 0.4278 13 C -3.0837 -0.4075 -1.3597 C.3 1 UNL1111111111 -0.0954 14 C -2.0203 -1.4806 -1.1030 C.3 1 UNL1111111111 -0.0684 15 C -0.9661 1.0966 1.2763 C.3 1 UNL1111111111 -0.1554 16 C 0.0250 -0.7540 0.1337 C.ar 1 UNL1111111111 0.2602 17 C 0.3040 0.3940 0.9115 C.ar 1 UNL1111111111 -0.3382 18 C -1.0815 2.4275 0.5253 C.3 1 UNL1111111111 -0.0136 19 C 1.0700 -1.4669 -0.4706 C.ar 1 UNL1111111111 -0.0562 20 C 1.6233 0.7254 1.1870 C.ar 1 UNL1111111111 0.3885 21 C -3.1272 -1.6632 2.2059 C.3 1 UNL1111111111 -0.1733 22 C 2.3981 -1.1062 -0.2331 C.ar 1 UNL1111111111 0.1576 23 C 2.6895 -0.0187 0.6162 C.ar 1 UNL1111111111 -0.2624 24 C 3.4849 -1.8744 -0.8878 C.3 1 UNL1111111111 -0.4557 25 C -0.0090 2.4417 -1.5889 C.2 1 UNL1111111111 0.7310 26 C 0.5336 -3.7153 -0.7536 C.3 1 UNL1111111111 -0.2058 27 H -3.3812 1.5541 -0.1592 H 1 UNL1111111111 0.1756 28 H -3.2124 -0.0647 -2.3810 H 1 UNL1111111111 0.1640 29 H -5.1043 -0.1338 -0.7203 H 1 UNL1111111111 0.2642 30 H -1.3197 -1.5992 -1.9532 H 1 UNL1111111111 0.1598 31 H -2.4955 -2.4722 -0.9145 H 1 UNL1111111111 0.1707 32 H -1.0580 1.2681 2.3769 H 1 UNL1111111111 0.1811 33 H -0.2450 3.1157 0.7554 H 1 UNL1111111111 0.1593 34 H -2.0349 2.9509 0.7240 H 1 UNL1111111111 0.1436 35 H -3.9810 -1.7824 1.5303 H 1 UNL1111111111 0.1531 36 H -2.3704 -2.4297 2.0131 H 1 UNL1111111111 0.1334 37 H -3.4485 -1.6803 3.2541 H 1 UNL1111111111 0.1377 38 H 1.1632 2.1960 2.3738 H 1 UNL1111111111 0.3186 39 H 4.1277 -2.3765 -0.1444 H 1 UNL1111111111 0.1782 40 H 3.1086 -2.6454 -1.5775 H 1 UNL1111111111 0.1704 41 H 4.1520 -1.2159 -1.4713 H 1 UNL1111111111 0.1804 42 H 1.4249 -4.0584 -0.2209 H 1 UNL1111111111 0.1324 43 H -0.3209 -3.6500 -0.0721 H 1 UNL1111111111 0.1376 44 H 0.3115 -4.3673 -1.6050 H 1 UNL1111111111 0.1426 45 H -0.2394 0.5832 -2.4475 H 1 UNL1111111111 0.3143 46 H 0.9919 1.5446 -3.1573 H 1 UNL1111111111 0.3268 @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