@MOLECULE 5h-dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-2-iodo-n,n-dimethyl- 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 I -4.1707 -0.3110 -0.0407 I 1 UNL111111 -0.0400 2 N 2.0883 -0.0590 -0.7605 N.pl3 1 UNL111111 -0.4567 3 N 1.7824 3.2862 0.5183 N.3 1 UNL111111 -0.3857 4 C 2.5198 1.1763 -1.4521 C.3 1 UNL111111 -0.0471 5 C 0.6971 -0.1721 -0.5672 C.ar 1 UNL111111 0.2233 6 C 3.0384 -1.0249 -0.4012 C.ar 1 UNL111111 0.2518 7 C 1.0002 -0.7725 1.8504 C.3 1 UNL111111 -0.2657 8 C 1.7383 -2.0878 1.5820 C.3 1 UNL111111 -0.2546 9 C 0.1273 -0.4809 0.6795 C.ar 1 UNL111111 -0.0474 10 C 2.9019 -1.9599 0.6488 C.ar 1 UNL111111 -0.1066 11 C 3.5685 1.9644 -0.6454 C.3 1 UNL111111 -0.3093 12 C 3.0073 2.4674 0.6960 C.3 1 UNL111111 -0.1138 13 C -0.1459 0.0881 -1.6661 C.ar 1 UNL111111 -0.2123 14 C 4.2261 -1.0642 -1.1742 C.ar 1 UNL111111 -0.2708 15 C -1.2589 -0.5390 0.8132 C.ar 1 UNL111111 -0.1440 16 C 3.9259 -2.8885 0.8685 C.ar 1 UNL111111 -0.1154 17 C -1.5268 0.0666 -1.5177 C.ar 1 UNL111111 -0.1245 18 C 5.2355 -1.9788 -0.9206 C.ar 1 UNL111111 -0.0959 19 C -2.0708 -0.2527 -0.2768 C.ar 1 UNL111111 -0.0876 20 C 5.0829 -2.9125 0.1017 C.ar 1 UNL111111 -0.2184 21 C 2.0380 4.5338 -0.2289 C.3 1 UNL111111 -0.2805 22 C 1.2007 3.5935 1.8438 C.3 1 UNL111111 -0.2808 23 H 2.9061 0.9167 -2.4627 H 1 UNL111111 0.1279 24 H 1.6336 1.8471 -1.6103 H 1 UNL111111 0.1727 25 H 1.7273 0.0521 2.0084 H 1 UNL111111 0.1600 26 H 0.4159 -0.8446 2.7899 H 1 UNL111111 0.1494 27 H 1.0239 -2.8363 1.1708 H 1 UNL111111 0.1579 28 H 2.0758 -2.5094 2.5547 H 1 UNL111111 0.1481 29 H 3.9285 2.8103 -1.2589 H 1 UNL111111 0.1447 30 H 4.4589 1.3396 -0.4387 H 1 UNL111111 0.1535 31 H 3.8121 2.9930 1.2540 H 1 UNL111111 0.1125 32 H 2.7188 1.5759 1.3044 H 1 UNL111111 0.1473 33 H 0.2854 0.3045 -2.6412 H 1 UNL111111 0.1672 34 H 4.3484 -0.3833 -2.0130 H 1 UNL111111 0.1592 35 H -1.6834 -0.8077 1.7818 H 1 UNL111111 0.1654 36 H 3.8150 -3.6185 1.6727 H 1 UNL111111 0.1465 37 H -2.1563 0.2963 -2.3783 H 1 UNL111111 0.1636 38 H 6.1425 -1.9784 -1.5247 H 1 UNL111111 0.1447 39 H 5.8507 -3.6550 0.2932 H 1 UNL111111 0.1502 40 H 2.8582 5.1465 0.1665 H 1 UNL111111 0.1162 41 H 1.1191 5.1469 -0.2460 H 1 UNL111111 0.1435 42 H 2.2666 4.2794 -1.2788 H 1 UNL111111 0.1419 43 H 1.8495 4.1970 2.4973 H 1 UNL111111 0.1169 44 H 0.9625 2.6476 2.3591 H 1 UNL111111 0.1458 45 H 0.2465 4.1301 1.7038 H 1 UNL111111 0.1472 @BOND 1 33 13 1 2 23 4 1 3 37 17 1 4 34 14 1 5 13 17 ar 6 13 5 ar 7 24 4 1 8 38 18 1 9 17 19 ar 10 4 2 1 11 4 11 1 12 42 21 1 13 29 11 1 14 14 18 ar 15 14 6 ar 16 18 20 ar 17 2 5 1 18 2 6 1 19 11 30 1 20 11 12 1 21 5 9 ar 22 6 10 ar 23 19 1 1 24 19 15 ar 25 41 21 1 26 21 40 1 27 21 3 1 28 20 39 1 29 20 16 ar 30 3 12 1 31 3 22 1 32 10 16 ar 33 10 8 1 34 9 15 ar 35 9 7 1 36 12 31 1 37 12 32 1 38 15 35 1 39 16 36 1 40 27 8 1 41 8 7 1 42 8 28 1 43 45 22 1 44 22 44 1 45 22 43 1 46 7 25 1 47 7 26 1