@MOLECULE 5h-dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-n-hydroxy-n-methyl- 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0795 0.1347 0.4633 O.3 1 UNL1 -0.3971 2 N 0.3999 -0.4119 0.1938 N.pl3 1 UNL1 -0.4483 3 N -3.6479 -1.0921 -0.1170 N.4 1 UNL1 -0.1918 4 C 0.0364 0.9057 -0.1934 C.ar 1 UNL1 0.2032 5 C 1.7159 -0.8418 -0.1490 C.ar 1 UNL1 0.1686 6 C 2.0950 2.0159 0.9526 C.3 1 UNL1 -0.2610 7 C 2.4712 0.7027 1.6508 C.3 1 UNL1 -0.2677 8 C -0.6344 -1.4665 0.1466 C.3 1 UNL1 -0.0773 9 C 0.7862 2.0290 0.2163 C.ar 1 UNL1 -0.0543 10 C 2.7785 -0.3269 0.6156 C.ar 1 UNL1 -0.0264 11 C -1.6336 -1.2253 1.2968 C.3 1 UNL1 -0.2843 12 C -3.0011 -1.8526 0.9876 C.3 1 UNL1 -0.1566 13 C -1.1419 1.1068 -0.9379 C.ar 1 UNL1 -0.2572 14 C 1.9617 -1.7820 -1.1555 C.ar 1 UNL1 -0.2241 15 C 0.3063 3.3050 -0.1024 C.ar 1 UNL1 -0.1449 16 C 4.0749 -0.7677 0.3689 C.ar 1 UNL1 -0.1517 17 C -1.5951 2.3827 -1.2406 C.ar 1 UNL1 -0.1229 18 C 3.2652 -2.2137 -1.3878 C.ar 1 UNL1 -0.1300 19 C -0.8725 3.4933 -0.8143 C.ar 1 UNL1 -0.1844 20 C 4.3186 -1.7120 -0.6278 C.ar 1 UNL1 -0.1704 21 C -4.9019 -1.7424 -0.5540 C.3 1 UNL1 -0.3053 22 H -1.1606 -1.5065 -0.8337 H 1 UNL1 0.1440 23 H -0.1447 -2.4564 0.2860 H 1 UNL1 0.1429 24 H 2.0944 2.8263 1.7148 H 1 UNL1 0.1494 25 H 2.9030 2.2835 0.2333 H 1 UNL1 0.1546 26 H 3.3271 0.8671 2.3328 H 1 UNL1 0.1424 27 H 1.6310 0.3625 2.2971 H 1 UNL1 0.1717 28 H -1.7488 -0.1380 1.4853 H 1 UNL1 0.1665 29 H -1.2283 -1.6366 2.2393 H 1 UNL1 0.1469 30 H -3.6221 -1.8624 1.9093 H 1 UNL1 0.1373 31 H -2.8811 -2.9065 0.6612 H 1 UNL1 0.1405 32 H -1.7122 0.2480 -1.3004 H 1 UNL1 0.1781 33 H 1.1460 -2.1637 -1.7637 H 1 UNL1 0.1602 34 H 0.8738 4.1799 0.2165 H 1 UNL1 0.1476 35 H 4.9022 -0.3751 0.9567 H 1 UNL1 0.1518 36 H -2.5084 2.5118 -1.8190 H 1 UNL1 0.1491 37 H 3.4595 -2.9434 -2.1716 H 1 UNL1 0.1492 38 H -1.2215 4.4966 -1.0412 H 1 UNL1 0.1499 39 H 5.3343 -2.0532 -0.8129 H 1 UNL1 0.1497 40 H -5.6075 -1.9676 0.2586 H 1 UNL1 0.1348 41 H -4.6477 -2.6723 -1.0852 H 1 UNL1 0.1484 42 H -5.4162 -1.0711 -1.2646 H 1 UNL1 0.1608 43 H -3.3954 0.7834 0.1313 H 1 UNL1 0.3082 @BOND 1 37 18 1 2 36 17 1 3 33 14 1 4 18 14 ar 5 18 20 ar 6 32 13 1 7 42 21 1 8 17 13 ar 9 17 19 ar 10 14 5 ar 11 41 21 1 12 38 19 1 13 13 4 ar 14 22 8 1 15 19 15 ar 16 39 20 1 17 20 16 ar 18 21 3 1 19 21 40 1 20 4 2 1 21 4 9 ar 22 5 2 1 23 5 10 ar 24 3 1 1 25 3 12 1 26 15 9 ar 27 15 34 1 28 43 1 1 29 8 2 1 30 8 23 1 31 8 11 1 32 9 6 1 33 25 6 1 34 16 10 ar 35 16 35 1 36 10 7 1 37 31 12 1 38 6 7 1 39 6 24 1 40 12 11 1 41 12 30 1 42 11 28 1 43 11 29 1 44 7 27 1 45 7 26 1