@MOLECULE n-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.6055 -2.2598 -1.6635 Cl 1 UNL1111111111 -0.0821 2 O 0.0202 -3.3524 2.5364 O.3 1 UNL1111111111 -0.4400 3 O -1.7377 -4.0487 0.5929 O.3 1 UNL1111111111 -0.4768 4 N -1.2567 2.3022 0.1406 N.3 1 UNL1111111111 -0.4270 5 C 0.7514 1.0329 0.7572 C.3 1 UNL1111111111 -0.1271 6 C 0.2086 2.2665 -0.0176 C.3 1 UNL1111111111 -0.1076 7 C 0.0316 -0.2824 0.5853 C.ar 1 UNL1111111111 0.0407 8 C -1.9686 1.5952 -0.9532 C.3 1 UNL1111111111 -0.0967 9 C -1.1719 0.4059 -1.5213 C.3 1 UNL1111111111 -0.2868 10 C -0.8638 -0.5866 -0.4479 C.ar 1 UNL1111111111 -0.0167 11 C 2.2045 0.8810 0.3853 C.ar 1 UNL1111111111 0.0121 12 C -1.7659 3.6895 0.2845 C.3 1 UNL1111111111 -0.1309 13 C 0.3159 -1.2367 1.5735 C.ar 1 UNL1111111111 -0.2283 14 C -1.4753 -1.8441 -0.4492 C.ar 1 UNL1111111111 -0.0799 15 C 2.5735 0.1491 -0.7427 C.ar 1 UNL1111111111 -0.2062 16 C 3.1833 1.4997 1.1651 C.ar 1 UNL1111111111 -0.2005 17 C -0.2958 -2.4826 1.5467 C.ar 1 UNL1111111111 0.2223 18 C -1.2098 -2.7968 0.5225 C.ar 1 UNL1111111111 0.1036 19 C 3.9194 0.0295 -1.0933 C.ar 1 UNL1111111111 0.0655 20 C -3.1930 3.6440 0.7543 C.2 1 UNL1111111111 -0.1097 21 C 4.5257 1.3840 0.8116 C.ar 1 UNL1111111111 -0.1177 22 C 4.8967 0.6526 -0.3139 C.ar 1 UNL1111111111 -0.2031 23 C 4.3008 -0.7524 -2.3042 C.3 1 UNL1111111111 -0.4596 24 C -4.0870 4.5757 0.4290 C.2 1 UNL1111111111 -0.3528 25 H 0.6556 1.2989 1.8500 H 1 UNL1111111111 0.1714 26 H 0.6750 3.1748 0.4247 H 1 UNL1111111111 0.1337 27 H 0.5458 2.2493 -1.0747 H 1 UNL1111111111 0.1272 28 H -2.2482 2.2752 -1.7863 H 1 UNL1111111111 0.1154 29 H -2.9207 1.2218 -0.5053 H 1 UNL1111111111 0.1530 30 H -0.2311 0.7486 -2.0031 H 1 UNL1111111111 0.1574 31 H -1.7498 -0.0299 -2.3614 H 1 UNL1111111111 0.1597 32 H -1.6592 4.2894 -0.6456 H 1 UNL1111111111 0.1222 33 H -1.1587 4.2054 1.0686 H 1 UNL1111111111 0.1521 34 H 1.0220 -1.0140 2.3754 H 1 UNL1111111111 0.1869 35 H 1.8112 -0.3411 -1.3461 H 1 UNL1111111111 0.1614 36 H 2.9033 2.0690 2.0475 H 1 UNL1111111111 0.1521 37 H -3.4295 2.7967 1.4012 H 1 UNL1111111111 0.1627 38 H 5.2890 1.8660 1.4194 H 1 UNL1111111111 0.1441 39 H 5.9458 0.5653 -0.5833 H 1 UNL1111111111 0.1495 40 H 3.6766 -1.6499 -2.4272 H 1 UNL1111111111 0.1629 41 H 4.1813 -0.1461 -3.2150 H 1 UNL1111111111 0.1606 42 H 5.3446 -1.0914 -2.2760 H 1 UNL1111111111 0.1547 43 H -0.4798 -4.2061 2.4289 H 1 UNL1111111111 0.3407 44 H -2.4702 -4.1901 -0.0579 H 1 UNL1111111111 0.3454 45 H -5.1067 4.5666 0.7811 H 1 UNL1111111111 0.1487 46 H -3.8786 5.4188 -0.2090 H 1 UNL1111111111 0.1432 @BOND 1 1 14 1 2 2 17 1 3 2 43 1 4 3 18 1 5 3 44 1 6 4 6 1 7 4 8 1 8 4 12 1 9 5 6 1 10 5 7 1 11 5 11 1 12 5 25 1 13 6 26 1 14 6 27 1 15 7 10 ar 16 7 13 ar 17 8 9 1 18 8 28 1 19 8 29 1 20 9 10 1 21 9 30 1 22 9 31 1 23 10 14 ar 24 11 15 ar 25 11 16 ar 26 12 20 1 27 12 32 1 28 12 33 1 29 13 17 ar 30 13 34 1 31 14 18 ar 32 15 19 ar 33 15 35 1 34 16 21 ar 35 16 36 1 36 17 18 ar 37 19 22 ar 38 19 23 1 39 20 24 2 40 20 37 1 41 21 22 ar 42 21 38 1 43 22 39 1 44 23 40 1 45 23 41 1 46 23 42 1 47 24 45 1 48 24 46 1