@MOLECULE (3z)-n,n-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6h)-ylidene)-1-propanamine 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.8792 0.9198 -0.7508 S.O 1 UNL1111111111 1.1122 2 O 3.6560 0.6139 -1.9783 O.2 1 UNL1111111111 -0.7892 3 N -4.6806 -0.5308 -0.4124 N.3 1 UNL1111111111 -0.3872 4 C -0.0319 -0.5131 0.0300 C.2 1 UNL1111111111 -0.0792 5 C -0.1921 0.8610 0.5198 C.ar 1 UNL1111111111 -0.0263 6 C 1.2432 -1.1772 0.3431 C.ar 1 UNL1111111111 0.0365 7 C 0.4377 1.8991 -0.1814 C.ar 1 UNL1111111111 0.0134 8 C 1.2648 1.5613 -1.3623 C.3 1 UNL1111111111 -0.5108 9 C 2.4939 -0.6858 -0.0225 C.ar 1 UNL1111111111 -0.2779 10 C -2.3014 -0.5494 -1.0201 C.3 1 UNL1111111111 -0.2968 11 C -0.9832 -1.1489 -0.6710 C.2 1 UNL1111111111 -0.1256 12 C -3.4249 -1.3101 -0.2807 C.3 1 UNL1111111111 -0.1049 13 C -0.9665 1.1371 1.6444 C.ar 1 UNL1111111111 -0.1308 14 C 0.2803 3.2157 0.2522 C.ar 1 UNL1111111111 -0.1618 15 C 1.1557 -2.3979 1.0304 C.ar 1 UNL1111111111 -0.1744 16 C 3.6372 -1.4453 0.2388 C.ar 1 UNL1111111111 -0.0929 17 C -1.1182 2.4551 2.0722 C.ar 1 UNL1111111111 -0.1537 18 C -0.4972 3.4903 1.3764 C.ar 1 UNL1111111111 -0.1429 19 C 2.2981 -3.1356 1.3141 C.ar 1 UNL1111111111 -0.1218 20 C 3.5443 -2.6645 0.9034 C.ar 1 UNL1111111111 -0.1701 21 C -5.6165 -0.8563 0.6851 C.3 1 UNL1111111111 -0.2824 22 C -5.3229 -0.7643 -1.7230 C.3 1 UNL1111111111 -0.2813 23 H 0.7648 0.8357 -2.0328 H 1 UNL1111111111 0.1872 24 H 1.4808 2.4340 -2.0079 H 1 UNL1111111111 0.1830 25 H -2.4646 -0.5818 -2.1156 H 1 UNL1111111111 0.1543 26 H -2.3622 0.5287 -0.7519 H 1 UNL1111111111 0.1751 27 H -0.8292 -2.1668 -1.0354 H 1 UNL1111111111 0.1558 28 H -3.5094 -2.3464 -0.6662 H 1 UNL1111111111 0.1162 29 H -3.1576 -1.3867 0.7961 H 1 UNL1111111111 0.1373 30 H -1.4569 0.3258 2.1796 H 1 UNL1111111111 0.1547 31 H 0.7615 4.0295 -0.2864 H 1 UNL1111111111 0.1534 32 H 0.1799 -2.7686 1.3412 H 1 UNL1111111111 0.1566 33 H 4.6252 -1.1027 -0.0887 H 1 UNL1111111111 0.1680 34 H -1.7261 2.6745 2.9464 H 1 UNL1111111111 0.1477 35 H -0.6207 4.5177 1.7104 H 1 UNL1111111111 0.1437 36 H 2.2200 -4.0811 1.8471 H 1 UNL1111111111 0.1479 37 H 4.4409 -3.2482 1.0999 H 1 UNL1111111111 0.1518 38 H -5.1546 -0.5700 1.6447 H 1 UNL1111111111 0.1455 39 H -5.9123 -1.9138 0.7368 H 1 UNL1111111111 0.1162 40 H -6.5279 -0.2457 0.5736 H 1 UNL1111111111 0.1454 41 H -6.2074 -0.1114 -1.8089 H 1 UNL1111111111 0.1446 42 H -5.6382 -1.8027 -1.8994 H 1 UNL1111111111 0.1165 43 H -4.6259 -0.4688 -2.5247 H 1 UNL1111111111 0.1471 @BOND 1 1 2 2 2 1 8 1 3 1 9 1 4 3 12 1 5 3 21 1 6 3 22 1 7 4 5 1 8 4 6 1 9 4 11 2 10 5 7 ar 11 5 13 ar 12 6 9 ar 13 6 15 ar 14 7 8 1 15 7 14 ar 16 8 23 1 17 8 24 1 18 9 16 ar 19 10 11 1 20 10 12 1 21 10 25 1 22 10 26 1 23 11 27 1 24 12 28 1 25 12 29 1 26 13 17 ar 27 13 30 1 28 14 18 ar 29 14 31 1 30 15 19 ar 31 15 32 1 32 16 20 ar 33 16 33 1 34 17 18 ar 35 17 34 1 36 18 35 1 37 19 20 ar 38 19 36 1 39 20 37 1 40 21 38 1 41 21 39 1 42 21 40 1 43 22 41 1 44 22 42 1 45 22 43 1