@MOLECULE 9-chloro-7-(2-chlorophenyl)-3,5-dihydro[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2(1h)-one 36 39 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.9706 -3.5498 0.1510 Cl 1 UNL111111111 -0.0652 2 CL -0.6535 0.8056 -1.9359 Cl 1 UNL111111111 -0.0842 3 O 4.9949 -0.0206 -1.7472 O.2 1 UNL111111111 -0.4827 4 N 2.0611 -0.4916 0.2624 N.pl3 1 UNL111111111 -0.4481 5 N 0.2840 1.4521 1.8598 N.2 1 UNL111111111 -0.3502 6 N 3.5791 1.0295 1.2890 N.2 1 UNL111111111 -0.2438 7 N 4.4764 0.8025 0.2857 N.am 1 UNL111111111 -0.4069 8 C 0.8110 -1.1618 0.2422 C.ar 1 UNL111111111 0.2094 9 C -0.4024 -0.5687 0.6237 C.ar 1 UNL111111111 -0.1470 10 C 2.4078 0.4503 1.2496 C.2 1 UNL111111111 0.2558 11 C 2.7069 -0.3084 -1.0518 C.3 1 UNL111111111 -0.1543 12 C -0.4984 0.8476 1.0385 C.2 1 UNL111111111 0.2025 13 C 1.4535 0.7602 2.3828 C.3 1 UNL111111111 -0.1273 14 C 0.8325 -2.5074 -0.1761 C.ar 1 UNL111111111 -0.1831 15 C -1.5803 -1.3230 0.6024 C.ar 1 UNL111111111 -0.1159 16 C -1.6108 1.6109 0.4346 C.ar 1 UNL111111111 -0.0718 17 C 4.1566 0.1425 -0.8906 C.2 1 UNL111111111 0.5331 18 C -0.3380 -3.2503 -0.2082 C.ar 1 UNL111111111 -0.1101 19 C -1.5264 -2.6417 0.1868 C.ar 1 UNL111111111 -0.0111 20 C -1.7709 1.6457 -0.9493 C.ar 1 UNL111111111 0.0365 21 C -2.5110 2.3207 1.2307 C.ar 1 UNL111111111 -0.0856 22 C -2.8034 2.3425 -1.5590 C.ar 1 UNL111111111 -0.1680 23 C -3.5579 3.0247 0.6371 C.ar 1 UNL111111111 -0.1614 24 C -3.7056 3.0336 -0.7493 C.ar 1 UNL111111111 -0.1089 25 H 2.1704 0.4469 -1.6788 H 1 UNL111111111 0.1751 26 H 2.6837 -1.2699 -1.6204 H 1 UNL111111111 0.1882 27 H 1.1973 -0.1665 2.9486 H 1 UNL111111111 0.1677 28 H 1.9403 1.4595 3.1176 H 1 UNL111111111 0.2025 29 H 1.7807 -2.9694 -0.4591 H 1 UNL111111111 0.1811 30 H -2.5267 -0.8630 0.9008 H 1 UNL111111111 0.1822 31 H -0.3212 -4.2925 -0.5336 H 1 UNL111111111 0.1772 32 H 5.3883 1.2155 0.4638 H 1 UNL111111111 0.3494 33 H -2.3808 2.3288 2.3149 H 1 UNL111111111 0.1736 34 H -2.9111 2.3557 -2.6435 H 1 UNL111111111 0.1758 35 H -4.2605 3.5751 1.2616 H 1 UNL111111111 0.1593 36 H -4.5267 3.5854 -1.2057 H 1 UNL111111111 0.1562 @BOND 1 1 19 1 2 2 20 1 3 3 17 2 4 4 8 1 5 4 10 1 6 4 11 1 7 5 12 2 8 5 13 1 9 6 7 1 10 6 10 2 11 7 17 am 12 7 32 1 13 8 9 ar 14 8 14 ar 15 9 12 1 16 9 15 ar 17 10 13 1 18 11 17 1 19 11 25 1 20 11 26 1 21 12 16 1 22 13 27 1 23 13 28 1 24 14 18 ar 25 14 29 1 26 15 19 ar 27 15 30 1 28 16 20 ar 29 16 21 ar 30 18 19 ar 31 18 31 1 32 20 22 ar 33 21 23 ar 34 21 33 1 35 22 24 ar 36 22 34 1 37 23 24 ar 38 23 35 1 39 24 36 1