@MOLECULE (1r)-6-chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.6498 1.2511 1.9445 Cl 1 UNL1111111111 -0.0694 2 O 3.3214 -1.9951 -1.9051 O.3 1 UNL1111111111 -0.4416 3 O 4.2831 -0.6052 0.2186 O.3 1 UNL1111111111 -0.4748 4 N -1.8518 2.0892 -0.6917 N.3 1 UNL1111111111 -0.4104 5 C -1.1545 -0.2761 -1.3109 C.3 1 UNL1111111111 -0.1273 6 C -1.5016 1.1605 -1.7913 C.3 1 UNL1111111111 -0.1125 7 C 0.2802 -0.3246 -0.8468 C.ar 1 UNL1111111111 -0.0064 8 C -0.6795 2.4763 0.1277 C.3 1 UNL1111111111 -0.0958 9 C -0.2488 1.2824 1.0026 C.3 1 UNL1111111111 -0.2922 10 C 0.7150 0.4202 0.2592 C.ar 1 UNL1111111111 -0.0080 11 C -2.0889 -0.8823 -0.2941 C.ar 1 UNL1111111111 0.0151 12 C 1.1725 -1.1298 -1.5589 C.ar 1 UNL1111111111 -0.2238 13 C 2.0598 0.3443 0.6235 C.ar 1 UNL1111111111 -0.0887 14 C -2.5058 3.2981 -1.2457 C.3 1 UNL1111111111 -0.2821 15 C 2.5077 -1.1963 -1.1730 C.ar 1 UNL1111111111 0.2136 16 C 2.9630 -0.4524 -0.0685 C.ar 1 UNL1111111111 0.1124 17 C -1.6566 -1.9932 0.4399 C.ar 1 UNL1111111111 -0.1766 18 C -3.3858 -0.4044 -0.1030 C.ar 1 UNL1111111111 -0.1486 19 C -2.5018 -2.5998 1.3637 C.ar 1 UNL1111111111 -0.1436 20 C -4.2316 -1.0135 0.8220 C.ar 1 UNL1111111111 -0.1498 21 C -3.7921 -2.1101 1.5593 C.ar 1 UNL1111111111 -0.1636 22 H -1.2559 -0.9258 -2.2317 H 1 UNL1111111111 0.1582 23 H -0.6542 1.5365 -2.4080 H 1 UNL1111111111 0.1249 24 H -2.3830 1.0870 -2.4690 H 1 UNL1111111111 0.1365 25 H -0.9827 3.3155 0.7928 H 1 UNL1111111111 0.1376 26 H 0.1764 2.8395 -0.4795 H 1 UNL1111111111 0.1218 27 H -1.1538 0.6934 1.2916 H 1 UNL1111111111 0.1911 28 H 0.1464 1.6517 1.9664 H 1 UNL1111111111 0.1581 29 H 0.8450 -1.7154 -2.4185 H 1 UNL1111111111 0.1842 30 H -1.8711 3.8915 -1.9194 H 1 UNL1111111111 0.1188 31 H -2.8306 3.9421 -0.4110 H 1 UNL1111111111 0.1478 32 H -3.4169 3.0018 -1.7905 H 1 UNL1111111111 0.1435 33 H -0.6506 -2.3856 0.2945 H 1 UNL1111111111 0.1596 34 H -3.7381 0.4658 -0.6561 H 1 UNL1111111111 0.1661 35 H -2.1533 -3.4578 1.9344 H 1 UNL1111111111 0.1467 36 H -5.2368 -0.6251 0.9693 H 1 UNL1111111111 0.1453 37 H -4.4508 -2.5822 2.2830 H 1 UNL1111111111 0.1449 38 H 4.2528 -1.9670 -1.5556 H 1 UNL1111111111 0.3417 39 H 4.5868 -0.0031 0.9448 H 1 UNL1111111111 0.3472 @BOND 1 1 13 1 2 2 15 1 3 2 38 1 4 3 16 1 5 3 39 1 6 4 6 1 7 4 8 1 8 4 14 1 9 5 6 1 10 5 7 1 11 5 11 1 12 5 22 1 13 6 23 1 14 6 24 1 15 7 10 ar 16 7 12 ar 17 8 9 1 18 8 25 1 19 8 26 1 20 9 10 1 21 9 27 1 22 9 28 1 23 10 13 ar 24 11 17 ar 25 11 18 ar 26 12 15 ar 27 12 29 1 28 13 16 ar 29 14 30 1 30 14 31 1 31 14 32 1 32 15 16 ar 33 17 19 ar 34 17 33 1 35 18 20 ar 36 18 34 1 37 19 21 ar 38 19 35 1 39 20 21 ar 40 20 36 1 41 21 37 1