@MOLECULE (5r)-8-chloro-5-(3-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepin-7-ol 38 40 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.9049 0.6058 -0.6546 I 1 UNL111111 -0.0219 2 CL 5.0254 2.8944 -0.3987 Cl 1 UNL111111 -0.0779 3 O 2.0142 3.2213 0.0113 O.3 1 UNL111111 -0.4457 4 N 1.9545 -3.4340 -0.5546 N.3 1 UNL111111 -0.4102 5 C 1.0703 -1.4830 0.6862 C.3 1 UNL111111 -0.1496 6 C 0.9126 -2.3793 -0.5744 C.3 1 UNL111111 -0.1085 7 C 2.0356 -0.3620 0.4055 C.ar 1 UNL111111 0.0493 8 C 3.2880 -2.9037 -0.9298 C.3 1 UNL111111 -0.1048 9 C 3.8699 -2.0905 0.2471 C.3 1 UNL111111 -0.2807 10 C 3.3958 -0.6734 0.2072 C.ar 1 UNL111111 -0.0579 11 C -0.2733 -0.9936 1.1535 C.ar 1 UNL111111 0.0153 12 C 1.6111 0.9594 0.3363 C.ar 1 UNL111111 -0.2493 13 C 1.5699 -4.5470 -1.4509 C.3 1 UNL111111 -0.2817 14 C 4.3145 0.3431 -0.0415 C.ar 1 UNL111111 -0.1224 15 C -1.2306 -0.5290 0.2466 C.ar 1 UNL111111 -0.1856 16 C -0.5626 -1.0064 2.5201 C.ar 1 UNL111111 -0.1606 17 C 2.5385 1.9759 0.0731 C.ar 1 UNL111111 0.2722 18 C 3.8831 1.6621 -0.1041 C.ar 1 UNL111111 -0.1455 19 C -2.4625 -0.0952 0.7239 C.ar 1 UNL111111 -0.0394 20 C -1.8007 -0.5641 2.9789 C.ar 1 UNL111111 -0.1191 21 C -2.7649 -0.1055 2.0818 C.ar 1 UNL111111 -0.1726 22 H 1.5141 -2.1350 1.4967 H 1 UNL111111 0.1890 23 H -0.0846 -2.8736 -0.5398 H 1 UNL111111 0.1460 24 H 0.9379 -1.7571 -1.4930 H 1 UNL111111 0.1269 25 H 3.2664 -2.2829 -1.8504 H 1 UNL111111 0.1241 26 H 3.9622 -3.7631 -1.1380 H 1 UNL111111 0.1337 27 H 4.9756 -2.1478 0.2163 H 1 UNL111111 0.1443 28 H 3.5842 -2.5752 1.2076 H 1 UNL111111 0.1710 29 H 0.5677 1.2414 0.4859 H 1 UNL111111 0.1918 30 H 2.3224 -5.3493 -1.3734 H 1 UNL111111 0.1448 31 H 1.4650 -4.2663 -2.5090 H 1 UNL111111 0.1207 32 H 0.6142 -4.9751 -1.1034 H 1 UNL111111 0.1493 33 H 5.3695 0.1052 -0.1889 H 1 UNL111111 0.1698 34 H -0.9909 -0.5035 -0.8168 H 1 UNL111111 0.1706 35 H 0.1828 -1.3599 3.2321 H 1 UNL111111 0.1617 36 H -2.0196 -0.5745 4.0462 H 1 UNL111111 0.1544 37 H -3.7272 0.2360 2.4603 H 1 UNL111111 0.1632 38 H 2.6942 3.9210 -0.1647 H 1 UNL111111 0.3351 @BOND 1 31 13 1 2 25 8 1 3 24 6 1 4 13 30 1 5 13 32 1 6 13 4 1 7 26 8 1 8 8 4 1 9 8 9 1 10 34 15 1 11 1 19 1 12 6 4 1 13 6 23 1 14 6 5 1 15 2 18 1 16 33 14 1 17 38 3 1 18 18 14 ar 19 18 17 ar 20 14 10 ar 21 3 17 1 22 17 12 ar 23 10 9 1 24 10 7 ar 25 27 9 1 26 15 19 ar 27 15 11 ar 28 9 28 1 29 12 7 ar 30 12 29 1 31 7 5 1 32 5 11 1 33 5 22 1 34 19 21 ar 35 11 16 ar 36 21 37 1 37 21 20 ar 38 16 20 ar 39 16 35 1 40 20 36 1