@MOLECULE 8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol 36 39 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.0526 -3.8287 -0.4170 Cl 1 UNL111111111 -0.0582 2 O 1.3101 0.5262 -2.5358 O.3 1 UNL111111111 -0.5676 3 N 2.1956 0.1740 0.2734 N.ar 1 UNL111111111 -0.3089 4 N 0.1737 1.9381 -1.1257 N.2 1 UNL111111111 -0.4003 5 N 3.5619 1.8753 -0.1996 N.ar 1 UNL111111111 -0.1771 6 N 4.0561 1.2403 0.8747 N.ar 1 UNL111111111 -0.2177 7 C 1.1543 -0.7713 0.1249 C.ar 1 UNL111111111 0.1815 8 C -0.1400 -0.3611 -0.2447 C.ar 1 UNL111111111 -0.1007 9 C 2.4296 1.2646 -0.5891 C.ar 1 UNL111111111 0.0469 10 C 1.4789 1.6472 -1.6885 C.3 1 UNL111111111 0.3226 11 C -0.5080 1.0575 -0.4832 C.2 1 UNL111111111 0.2520 12 C 3.2578 0.1969 1.1991 C.ar 1 UNL111111111 0.1968 13 C 1.4432 -2.1306 0.3222 C.ar 1 UNL111111111 -0.1885 14 C -1.1343 -1.3284 -0.4157 C.ar 1 UNL111111111 -0.1129 15 C -1.8118 1.4756 0.0850 C.ar 1 UNL111111111 -0.0566 16 C 0.4480 -3.0861 0.1591 C.ar 1 UNL111111111 -0.1159 17 C -0.8247 -2.6635 -0.2081 C.ar 1 UNL111111111 0.0052 18 C 3.4319 -0.7151 2.3384 C.3 1 UNL111111111 -0.4339 19 C -2.1187 1.1605 1.4112 C.ar 1 UNL111111111 -0.1246 20 C -2.7194 2.1873 -0.7010 C.ar 1 UNL111111111 -0.0912 21 C -3.3452 1.5471 1.9438 C.ar 1 UNL111111111 -0.1497 22 C -3.9480 2.5658 -0.1633 C.ar 1 UNL111111111 -0.1618 23 C -4.2612 2.2447 1.1561 C.ar 1 UNL111111111 -0.1266 24 H 1.8310 2.5404 -2.2706 H 1 UNL111111111 0.1797 25 H 2.4574 -2.4430 0.5751 H 1 UNL111111111 0.1779 26 H -2.1430 -1.0227 -0.7149 H 1 UNL111111111 0.1913 27 H 0.6717 -4.1448 0.3075 H 1 UNL111111111 0.1804 28 H 3.9586 -0.2026 3.1687 H 1 UNL111111111 0.1948 29 H 4.0542 -1.5880 2.0748 H 1 UNL111111111 0.1773 30 H 2.4764 -1.0842 2.7432 H 1 UNL111111111 0.1733 31 H -1.4011 0.6203 2.0268 H 1 UNL111111111 0.1549 32 H -2.4577 2.4511 -1.7275 H 1 UNL111111111 0.1705 33 H 2.0467 0.4450 -3.1760 H 1 UNL111111111 0.3369 34 H -3.5881 1.3060 2.9767 H 1 UNL111111111 0.1520 35 H -4.6597 3.1176 -0.7738 H 1 UNL111111111 0.1514 36 H -5.2209 2.5418 1.5747 H 1 UNL111111111 0.1469 @BOND 1 1 17 1 2 2 10 1 3 2 33 1 4 3 7 1 5 3 9 ar 6 3 12 ar 7 4 10 1 8 4 11 2 9 5 6 ar 10 5 9 ar 11 6 12 ar 12 7 8 ar 13 7 13 ar 14 8 11 1 15 8 14 ar 16 9 10 1 17 10 24 1 18 11 15 1 19 12 18 1 20 13 16 ar 21 13 25 1 22 14 17 ar 23 14 26 1 24 15 19 ar 25 15 20 ar 26 16 17 ar 27 16 27 1 28 18 28 1 29 18 29 1 30 18 30 1 31 19 21 ar 32 19 31 1 33 20 22 ar 34 20 32 1 35 21 23 ar 36 21 34 1 37 22 23 ar 38 22 35 1 39 23 36 1