@MOLECULE (6-amino-8a-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl methylcarbamate 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6479 0.1765 1.1386 O.3 1 UNL1111111111 -0.3635 2 O 2.4067 -1.7226 -0.7416 O.3 1 UNL1111111111 -0.4572 3 O -3.2677 1.8080 1.1972 O.2 1 UNL1111111111 -0.4431 4 O -1.7730 -2.6624 -1.3684 O.2 1 UNL1111111111 -0.4554 5 O 3.2962 -1.9661 1.3595 O.2 1 UNL1111111111 -0.5421 6 N 0.5413 2.4581 -1.5972 N.3 1 UNL1111111111 -0.3300 7 N -0.4632 1.2563 0.7733 N.pl3 1 UNL1111111111 -0.4035 8 N -4.3149 -2.4923 -0.5783 N.pl3 1 UNL1111111111 -0.5563 9 N 4.4669 -0.9613 -0.3612 N.am 1 UNL1111111111 -0.5826 10 C 1.4423 1.8528 -0.5910 C.3 1 UNL1111111111 -0.1679 11 C 0.6457 3.1086 -0.2683 C.3 1 UNL1111111111 -0.1139 12 C 0.8027 0.6803 0.1609 C.3 1 UNL1111111111 0.3918 13 C -0.5094 2.7313 0.6674 C.3 1 UNL1111111111 -0.0633 14 C 0.3349 -0.5702 -0.6661 C.3 1 UNL1111111111 -0.1193 15 C -1.5210 0.4702 0.3658 C.2 1 UNL1111111111 0.1853 16 C -1.1300 -0.6373 -0.3405 C.2 1 UNL1111111111 -0.3366 17 C 1.1729 3.1330 -2.7296 C.3 1 UNL1111111111 -0.2915 18 C 1.0650 -1.8569 -0.2730 C.3 1 UNL1111111111 0.0085 19 C -2.9603 0.7453 0.7071 C.2 1 UNL1111111111 0.4737 20 C -2.0407 -1.6695 -0.7286 C.2 1 UNL1111111111 0.4788 21 C 2.0223 1.0407 2.1966 C.3 1 UNL1111111111 -0.1940 22 C -3.8870 -0.3250 0.3860 C.2 1 UNL1111111111 -0.3203 23 C -3.4867 -1.4573 -0.2701 C.2 1 UNL1111111111 0.1815 24 C -5.3004 -0.1183 0.8055 C.3 1 UNL1111111111 -0.4032 25 C 3.3771 -1.5836 0.2159 C.2 1 UNL1111111111 0.7378 26 C 5.7339 -0.9544 0.3699 C.3 1 UNL1111111111 -0.2155 27 H 2.5189 1.8050 -0.7206 H 1 UNL1111111111 0.1742 28 H 1.0742 4.0966 -0.1429 H 1 UNL1111111111 0.1599 29 H -0.3647 3.1645 1.6808 H 1 UNL1111111111 0.1573 30 H -1.4912 3.0900 0.2862 H 1 UNL1111111111 0.1787 31 H 0.4902 -0.3710 -1.7553 H 1 UNL1111111111 0.1820 32 H 2.1051 3.6732 -2.5125 H 1 UNL1111111111 0.1277 33 H 0.4442 3.8491 -3.1532 H 1 UNL1111111111 0.1620 34 H 1.3828 2.3755 -3.5083 H 1 UNL1111111111 0.1643 35 H 0.6788 -2.7284 -0.8414 H 1 UNL1111111111 0.1637 36 H 1.0222 -2.0650 0.8132 H 1 UNL1111111111 0.1698 37 H 2.5412 1.9264 1.8271 H 1 UNL1111111111 0.1144 38 H 2.7052 0.3984 2.7743 H 1 UNL1111111111 0.1622 39 H 1.1477 1.3088 2.7986 H 1 UNL1111111111 0.1414 40 H -5.9924 -0.1452 -0.0470 H 1 UNL1111111111 0.1407 41 H -5.4420 0.8666 1.2854 H 1 UNL1111111111 0.1740 42 H -5.6233 -0.8677 1.5413 H 1 UNL1111111111 0.1423 43 H -5.2836 -2.4719 -0.3508 H 1 UNL1111111111 0.3042 44 H -3.9645 -3.2795 -1.0925 H 1 UNL1111111111 0.3228 45 H 4.4936 -0.7971 -1.3535 H 1 UNL1111111111 0.3156 46 H 6.3913 -1.7866 0.0645 H 1 UNL1111111111 0.1321 47 H 5.5549 -1.0479 1.4599 H 1 UNL1111111111 0.1720 48 H 6.2559 0.0015 0.1923 H 1 UNL1111111111 0.1407 @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 25 2 8 6 10 1 9 6 11 1 10 6 17 1 11 7 12 1 12 7 13 1 13 7 15 1 14 8 23 1 15 8 43 1 16 8 44 1 17 9 25 am 18 9 26 1 19 9 45 1 20 10 11 1 21 10 12 1 22 10 27 1 23 11 13 1 24 11 28 1 25 12 14 1 26 13 29 1 27 13 30 1 28 14 16 1 29 14 18 1 30 14 31 1 31 15 16 2 32 15 19 1 33 16 20 1 34 17 32 1 35 17 33 1 36 17 34 1 37 18 35 1 38 18 36 1 39 19 22 1 40 20 23 1 41 21 37 1 42 21 38 1 43 21 39 1 44 22 23 2 45 22 24 1 46 24 40 1 47 24 41 1 48 24 42 1 49 26 46 1 50 26 47 1 51 26 48 1