@MOLECULE (2e)-3-[(4r,5s)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-methyl-2-propen-1-ol 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4384 -1.4506 -1.3226 O.3 1 UNL1111111111 -0.5358 2 N 3.7164 -0.0994 -0.9464 N.ar 1 UNL1111111111 -0.3844 3 N -1.0672 2.9397 0.9549 N.3 1 UNL1111111111 -0.6522 4 C -0.5777 0.4571 0.8510 C.3 1 UNL1111111111 -0.1840 5 C -0.0018 1.9258 0.8697 C.3 1 UNL1111111111 0.0739 6 C 0.8907 2.2782 -0.3577 C.3 1 UNL1111111111 -0.2664 7 C 0.5350 -0.5362 0.6695 C.ar 1 UNL1111111111 0.0552 8 C 1.6630 -0.0692 -0.0039 C.ar 1 UNL1111111111 -0.1243 9 C 1.9254 1.2409 -0.5225 C.ar 1 UNL1111111111 -0.0852 10 C 2.7891 -0.8918 -0.2731 C.ar 1 UNL1111111111 0.1257 11 C -1.5422 0.2794 -0.2793 C.2 1 UNL1111111111 -0.1983 12 C 3.1826 1.1986 -1.0929 C.ar 1 UNL1111111111 -0.0572 13 C 0.5395 -1.8553 1.0804 C.ar 1 UNL1111111111 -0.2282 14 C 2.7842 -2.2325 0.1439 C.ar 1 UNL1111111111 -0.2300 15 C 1.6574 -2.6815 0.8118 C.ar 1 UNL1111111111 -0.0901 16 C -2.8149 -0.1103 -0.1444 C.2 1 UNL1111111111 -0.0389 17 C -3.6987 -0.2451 -1.3544 C.3 1 UNL1111111111 -0.0181 18 C -3.4687 -0.4271 1.1549 C.3 1 UNL1111111111 -0.4499 19 H -1.0742 0.2861 1.8378 H 1 UNL1111111111 0.1544 20 H 0.6319 2.0172 1.7913 H 1 UNL1111111111 0.1463 21 H 1.3257 3.2872 -0.2012 H 1 UNL1111111111 0.1659 22 H 0.2712 2.3619 -1.2744 H 1 UNL1111111111 0.1554 23 H -1.1069 0.4790 -1.2603 H 1 UNL1111111111 0.1586 24 H 3.7445 1.9666 -1.5844 H 1 UNL1111111111 0.1657 25 H -0.3120 -2.2753 1.6070 H 1 UNL1111111111 0.1553 26 H 4.6063 -0.3930 -1.2693 H 1 UNL1111111111 0.3115 27 H -1.6127 2.8472 1.7954 H 1 UNL1111111111 0.2486 28 H -1.6886 2.9034 0.1624 H 1 UNL1111111111 0.2518 29 H 3.6268 -2.8842 -0.0501 H 1 UNL1111111111 0.1565 30 H 1.6185 -3.7175 1.1505 H 1 UNL1111111111 0.1483 31 H -4.4908 0.5315 -1.3681 H 1 UNL1111111111 0.1481 32 H -3.1405 -0.2079 -2.3090 H 1 UNL1111111111 0.1253 33 H -4.4645 -0.8816 1.0176 H 1 UNL1111111111 0.1731 34 H -2.8780 -1.1378 1.7503 H 1 UNL1111111111 0.1570 35 H -3.6143 0.4753 1.7643 H 1 UNL1111111111 0.1517 36 H -3.8377 -2.2121 -1.1878 H 1 UNL1111111111 0.3148 @BOND 1 1 17 1 2 1 36 1 3 2 10 ar 4 2 12 ar 5 2 26 1 6 3 5 1 7 3 27 1 8 3 28 1 9 4 5 1 10 4 7 1 11 4 11 1 12 4 19 1 13 5 6 1 14 5 20 1 15 6 9 1 16 6 21 1 17 6 22 1 18 7 8 ar 19 7 13 ar 20 8 9 ar 21 8 10 ar 22 9 12 ar 23 10 14 ar 24 11 16 2 25 11 23 1 26 12 24 1 27 13 15 ar 28 13 25 1 29 14 15 ar 30 14 29 1 31 15 30 1 32 16 17 1 33 16 18 1 34 17 31 1 35 17 32 1 36 18 33 1 37 18 34 1 38 18 35 1