@MOLECULE 2,3,4,5-tetrahydro-8-(methylsulfonyl)-1h-3-benzazepin-7-ol 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7016 -0.5638 -0.1603 S.O2 1 UNL1111111111 2.2756 2 O -1.7044 2.2650 -0.1579 O.3 1 UNL1111111111 -0.4972 3 O -3.0577 -0.3736 -1.5499 O.2 1 UNL1111111111 -0.9038 4 O -2.7301 -1.9034 0.4034 O.2 1 UNL1111111111 -0.9383 5 N 4.3636 -0.6118 -0.3710 N.3 1 UNL1111111111 -0.5516 6 C 1.2839 -0.5026 0.4850 C.ar 1 UNL1111111111 -0.1069 7 C 1.6238 0.8564 0.3760 C.ar 1 UNL1111111111 0.1171 8 C 2.3416 -1.5299 0.7314 C.3 1 UNL1111111111 -0.2770 9 C 3.0465 1.2982 0.4958 C.3 1 UNL1111111111 -0.3133 10 C 3.3026 -1.6386 -0.4719 C.3 1 UNL1111111111 -0.0985 11 C 3.8892 0.7544 -0.6794 C.3 1 UNL1111111111 -0.0893 12 C -0.0443 -0.9005 0.3433 C.ar 1 UNL1111111111 -0.0257 13 C -1.0564 0.0281 0.0963 C.ar 1 UNL1111111111 -0.4983 14 C 0.6270 1.8026 0.1458 C.ar 1 UNL1111111111 -0.3642 15 C -0.6959 1.3712 0.0168 C.ar 1 UNL1111111111 0.3529 16 C -3.7583 0.4593 0.8386 C.3 1 UNL1111111111 -0.7467 17 H 2.9270 -1.2755 1.6428 H 1 UNL1111111111 0.1672 18 H 1.8990 -2.5243 0.9387 H 1 UNL1111111111 0.1485 19 H 3.1330 2.4005 0.5335 H 1 UNL1111111111 0.1462 20 H 3.4852 0.9342 1.4535 H 1 UNL1111111111 0.1812 21 H 3.7973 -2.6356 -0.4539 H 1 UNL1111111111 0.1360 22 H 2.7268 -1.5766 -1.4203 H 1 UNL1111111111 0.1232 23 H 3.3022 0.8098 -1.6215 H 1 UNL1111111111 0.1212 24 H 4.7844 1.4027 -0.8123 H 1 UNL1111111111 0.1376 25 H -0.2932 -1.9694 0.4296 H 1 UNL1111111111 0.1854 26 H 5.1526 -0.8564 -0.9686 H 1 UNL1111111111 0.2564 27 H 0.8733 2.8550 0.0656 H 1 UNL1111111111 0.1628 28 H -3.8329 1.4807 0.4402 H 1 UNL1111111111 0.1931 29 H -4.7790 0.0558 0.8698 H 1 UNL1111111111 0.1864 30 H -3.4129 0.5303 1.8751 H 1 UNL1111111111 0.1789 31 H -1.3773 3.1774 -0.3451 H 1 UNL1111111111 0.3410 @BOND 1 1 3 2 2 1 4 2 3 1 13 1 4 1 16 1 5 2 15 1 6 2 31 1 7 5 10 1 8 5 11 1 9 5 26 1 10 6 7 ar 11 6 8 1 12 6 12 ar 13 7 9 1 14 7 14 ar 15 8 10 1 16 8 17 1 17 8 18 1 18 9 11 1 19 9 19 1 20 9 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 13 ar 26 12 25 1 27 13 15 ar 28 14 15 ar 29 14 27 1 30 16 28 1 31 16 29 1 32 16 30 1