@MOLECULE 3-(3-ethyl-3-azepanyl)phenol 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8354 -0.6389 -1.5176 O.3 1 UNL111111111 -0.4803 2 N 2.6291 -0.8273 -1.2418 N.3 1 UNL111111111 -0.5427 3 C 0.6435 -0.5256 0.2732 C.3 1 UNL111111111 0.0382 4 C 1.6143 0.2428 1.1919 C.3 1 UNL111111111 -0.2699 5 C 1.1743 -0.5779 -1.1972 C.3 1 UNL111111111 -0.1167 6 C 0.5201 -1.9711 0.8270 C.3 1 UNL111111111 -0.2641 7 C 2.2470 1.4951 0.5710 C.3 1 UNL111111111 -0.2588 8 C -0.7453 0.0845 0.2019 C.ar 1 UNL111111111 0.0683 9 C 3.5901 1.1557 -0.0915 C.3 1 UNL111111111 -0.2714 10 C 3.4118 0.4153 -1.4303 C.3 1 UNL111111111 -0.0983 11 C -0.1075 -2.0110 2.2205 C.3 1 UNL111111111 -0.4396 12 C -1.6975 -0.5252 -0.6195 C.ar 1 UNL111111111 -0.2912 13 C -1.1043 1.2278 0.9227 C.ar 1 UNL111111111 -0.2548 14 C -2.9815 0.0193 -0.6876 C.ar 1 UNL111111111 0.3095 15 C -2.3962 1.7449 0.8509 C.ar 1 UNL111111111 -0.0566 16 C -3.3580 1.1473 0.0412 C.ar 1 UNL111111111 -0.3309 17 H 2.4311 -0.4534 1.4818 H 1 UNL111111111 0.1595 18 H 1.1057 0.5028 2.1383 H 1 UNL111111111 0.1312 19 H 0.6465 -1.3880 -1.7454 H 1 UNL111111111 0.1275 20 H 0.8949 0.3722 -1.7044 H 1 UNL111111111 0.1286 21 H 1.5326 -2.4228 0.8462 H 1 UNL111111111 0.1531 22 H -0.0748 -2.5972 0.1360 H 1 UNL111111111 0.1363 23 H 2.4128 2.2548 1.3577 H 1 UNL111111111 0.1258 24 H 1.5596 1.9608 -0.1573 H 1 UNL111111111 0.1406 25 H 4.1772 2.0769 -0.2605 H 1 UNL111111111 0.1256 26 H 4.1934 0.5260 0.5928 H 1 UNL111111111 0.1463 27 H 2.9550 1.1001 -2.1784 H 1 UNL111111111 0.1119 28 H 4.4146 0.1362 -1.8239 H 1 UNL111111111 0.1235 29 H 2.8557 -1.5084 -1.9616 H 1 UNL111111111 0.2523 30 H 0.4987 -1.4714 2.9549 H 1 UNL111111111 0.1410 31 H -1.1078 -1.5591 2.2220 H 1 UNL111111111 0.1498 32 H -0.2139 -3.0414 2.5747 H 1 UNL111111111 0.1401 33 H -1.4715 -1.4196 -1.1962 H 1 UNL111111111 0.1759 34 H -0.3756 1.7282 1.5553 H 1 UNL111111111 0.1619 35 H -2.6558 2.6268 1.4364 H 1 UNL111111111 0.1455 36 H -4.3616 1.5466 -0.0179 H 1 UNL111111111 0.1573 37 H -4.7322 -0.2329 -1.5393 H 1 UNL111111111 0.3257 @BOND 1 1 14 1 2 1 37 1 3 2 5 1 4 2 10 1 5 2 29 1 6 3 4 1 7 3 5 1 8 3 6 1 9 3 8 1 10 4 7 1 11 4 17 1 12 4 18 1 13 5 19 1 14 5 20 1 15 6 11 1 16 6 21 1 17 6 22 1 18 7 9 1 19 7 23 1 20 7 24 1 21 8 12 ar 22 8 13 ar 23 9 10 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 30 1 29 11 31 1 30 11 32 1 31 12 14 ar 32 12 33 1 33 13 15 ar 34 13 34 1 35 14 16 ar 36 15 16 ar 37 15 35 1 38 16 36 1