@MOLECULE (3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one 36 40 0 0 0 SMALL GASTEIGER @ATOM 1 BR 2.7253 -1.7991 0.4645 Br 1 UNL1111 0.0447 2 C 1.6136 -0.3951 0.0044 C.ar 1 UNL1111 -0.0534 3 C 0.2429 -0.4468 -0.1648 C.ar 1 UNL1111 -0.0396 4 N -0.2211 0.8237 -0.5569 N.ar 1 UNL1111 -0.3537 5 C 0.8715 1.6966 -0.5844 C.ar 1 UNL1111 0.1354 6 C 2.0455 0.9485 -0.2498 C.ar 1 UNL1111 -0.0926 7 C 3.2886 1.5917 -0.2354 C.ar 1 UNL1111 -0.0702 8 C 0.9301 3.0615 -0.9006 C.ar 1 UNL1111 -0.2298 9 C 2.1735 3.6630 -0.8710 C.ar 1 UNL1111 -0.0826 10 C 3.3399 2.9383 -0.5408 C.ar 1 UNL1111 -0.1997 11 C -1.6156 1.2408 -0.5288 C.3 1 UNL1111 0.2029 12 N -1.8862 2.1500 0.5991 N.pl3 1 UNL1111 -0.6325 13 C -2.7060 1.4952 1.5796 C.cat 1 UNL1111 0.5409 14 N -2.9996 1.8605 2.7719 N.2 1 UNL1111 -0.6356 15 N -3.2977 0.3706 0.9679 N.pl3 1 UNL1111 -0.5704 16 C -2.6247 0.0220 -0.2992 C.3 1 UNL1111 0.3804 17 C -3.6799 -0.0982 -1.4286 C.3 1 UNL1111 -0.2988 18 C -4.0378 -1.5915 -1.5031 C.3 1 UNL1111 -0.2876 19 C -2.9598 -2.3410 -0.6894 C.3 1 UNL1111 -0.0499 20 N -2.0286 -1.3080 -0.1864 N.am 1 UNL1111 -0.5631 21 C -0.6661 -1.5979 -0.1450 C.2 1 UNL1111 0.5883 22 O -0.3006 -2.7507 -0.1059 O.2 1 UNL1111 -0.4433 23 H 4.1900 1.0319 0.0134 H 1 UNL1111 0.1661 24 H 0.0362 3.6156 -1.1683 H 1 UNL1111 0.1659 25 H 2.2673 4.7235 -1.1081 H 1 UNL1111 0.1518 26 H 4.2945 3.4621 -0.5325 H 1 UNL1111 0.1580 27 H -1.8466 1.7829 -1.4893 H 1 UNL1111 0.1816 28 H -1.1079 2.7094 0.9298 H 1 UNL1111 0.3182 29 H -2.6561 2.7123 3.1701 H 1 UNL1111 0.2934 30 H -3.6175 -0.3852 1.5632 H 1 UNL1111 0.3368 31 H -4.5646 0.5271 -1.2067 H 1 UNL1111 0.1768 32 H -3.2716 0.2609 -2.3880 H 1 UNL1111 0.1534 33 H -5.0428 -1.7790 -1.0878 H 1 UNL1111 0.1507 34 H -4.0661 -1.9432 -2.5475 H 1 UNL1111 0.1487 35 H -3.3959 -2.8829 0.1769 H 1 UNL1111 0.1489 36 H -2.4160 -3.0934 -1.3011 H 1 UNL1111 0.1599 @BOND 1 1 2 1 2 2 6 ar 3 3 2 ar 4 3 4 ar 5 4 5 ar 6 5 8 ar 7 6 5 ar 8 6 7 ar 9 7 10 ar 10 7 23 1 11 8 9 ar 12 8 24 1 13 9 25 1 14 10 9 ar 15 10 26 1 16 11 4 1 17 11 12 1 18 11 27 1 19 12 28 1 20 13 12 1 21 14 13 2 22 14 29 1 23 15 16 1 24 15 13 1 25 15 30 1 26 16 11 1 27 17 16 1 28 17 31 1 29 17 32 1 30 18 17 1 31 18 33 1 32 18 34 1 33 19 18 1 34 19 20 1 35 19 35 1 36 19 36 1 37 20 21 am 38 20 16 1 39 21 3 1 40 22 21 2