@MOLECULE (1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.1872 -0.0544 -0.7479 Cl 1 UNL111111111 -0.0775 2 O -0.9569 3.4199 1.0618 O.3 1 UNL111111111 -0.4375 3 O -3.4600 2.6602 0.3426 O.3 1 UNL111111111 -0.4745 4 N -0.0142 -3.1602 0.2019 N.3 1 UNL111111111 -0.4121 5 C 0.9187 -0.8965 -0.1729 C.3 1 UNL111111111 -0.1395 6 C 0.7663 -2.0704 0.8353 C.3 1 UNL111111111 -0.1101 7 C -0.2540 0.0415 -0.0541 C.ar 1 UNL111111111 0.0090 8 C -1.4603 -2.8390 0.1278 C.3 1 UNL111111111 -0.1032 9 C -1.6919 -1.7931 -0.9841 C.3 1 UNL111111111 -0.2813 10 C -1.5270 -0.4089 -0.4469 C.ar 1 UNL111111111 -0.0314 11 C 2.2437 -0.2073 0.0270 C.ar 1 UNL111111111 0.0201 12 C -0.0902 1.3338 0.4442 C.ar 1 UNL111111111 -0.2179 13 C 0.1960 -4.4303 0.9308 C.3 1 UNL111111111 -0.2819 14 C -2.6143 0.4526 -0.3106 C.ar 1 UNL111111111 -0.0843 15 C 2.9910 0.1577 -1.0928 C.ar 1 UNL111111111 -0.2061 16 C 2.7325 0.0695 1.3060 C.ar 1 UNL111111111 -0.2004 17 C -1.1880 2.1806 0.5660 C.ar 1 UNL111111111 0.2164 18 C -2.4695 1.7409 0.1881 C.ar 1 UNL111111111 0.1060 19 C 4.2255 0.7931 -0.9401 C.ar 1 UNL111111111 0.0640 20 C 3.9639 0.7009 1.4580 C.ar 1 UNL111111111 -0.1152 21 C 4.7122 1.0630 0.3405 C.ar 1 UNL111111111 -0.2043 22 C 5.0083 1.1964 -2.1434 C.3 1 UNL111111111 -0.4618 23 H 0.9083 -1.3493 -1.2079 H 1 UNL111111111 0.1837 24 H 1.7786 -2.4644 1.0800 H 1 UNL111111111 0.1457 25 H 0.3185 -1.7059 1.7825 H 1 UNL111111111 0.1248 26 H -1.8776 -2.4760 1.0907 H 1 UNL111111111 0.1239 27 H -2.0152 -3.7670 -0.1315 H 1 UNL111111111 0.1348 28 H -2.6836 -1.9641 -1.4430 H 1 UNL111111111 0.1555 29 H -0.9739 -1.9756 -1.8173 H 1 UNL111111111 0.1749 30 H 0.8913 1.7114 0.7433 H 1 UNL111111111 0.1971 31 H -0.3350 -5.2405 0.4041 H 1 UNL111111111 0.1449 32 H -0.1374 -4.4161 1.9784 H 1 UNL111111111 0.1190 33 H 1.2688 -4.6860 0.9062 H 1 UNL111111111 0.1478 34 H 2.6111 -0.0479 -2.0915 H 1 UNL111111111 0.1575 35 H 2.1500 -0.1962 2.1851 H 1 UNL111111111 0.1553 36 H 4.3421 0.9159 2.4558 H 1 UNL111111111 0.1461 37 H 5.6714 1.5571 0.4665 H 1 UNL111111111 0.1494 38 H 4.8858 0.4900 -2.9759 H 1 UNL111111111 0.1575 39 H 4.6821 2.1843 -2.5059 H 1 UNL111111111 0.1644 40 H 6.0851 1.2675 -1.9404 H 1 UNL111111111 0.1547 41 H -1.8017 3.9433 1.1122 H 1 UNL111111111 0.3405 42 H -4.3598 2.2805 0.1792 H 1 UNL111111111 0.3457 @BOND 1 1 14 1 2 2 17 1 3 2 41 1 4 3 18 1 5 3 42 1 6 4 6 1 7 4 8 1 8 4 13 1 9 5 6 1 10 5 7 1 11 5 11 1 12 5 23 1 13 6 24 1 14 6 25 1 15 7 10 ar 16 7 12 ar 17 8 9 1 18 8 26 1 19 8 27 1 20 9 10 1 21 9 28 1 22 9 29 1 23 10 14 ar 24 11 15 ar 25 11 16 ar 26 12 17 ar 27 12 30 1 28 13 31 1 29 13 32 1 30 13 33 1 31 14 18 ar 32 15 19 ar 33 15 34 1 34 16 20 ar 35 16 35 1 36 17 18 ar 37 19 21 ar 38 19 22 1 39 20 21 ar 40 20 36 1 41 21 37 1 42 22 38 1 43 22 39 1 44 22 40 1