@MOLECULE desmethylsertraline 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.7389 0.1023 2.1606 Cl 1 UNL111111111 -0.0400 2 CL 4.6928 -0.2929 -0.2564 Cl 1 UNL111111111 -0.0482 3 N -3.3510 1.6340 1.6809 N.3 1 UNL111111111 -0.6625 4 C -1.1417 0.6496 -1.2118 C.3 1 UNL111111111 -0.1335 5 C -1.5316 2.0404 -0.6781 C.3 1 UNL111111111 -0.2564 6 C -3.0507 2.1953 -0.6902 C.3 1 UNL111111111 -0.2741 7 C -3.6816 1.1919 0.2999 C.3 1 UNL111111111 0.0589 8 C -1.9617 -0.4581 -0.5995 C.ar 1 UNL111111111 0.0102 9 C -3.1553 -0.2077 0.0794 C.ar 1 UNL111111111 -0.0558 10 C 0.3264 0.4238 -0.9613 C.ar 1 UNL111111111 0.0213 11 C -1.5258 -1.7790 -0.7574 C.ar 1 UNL111111111 -0.1729 12 C -3.8952 -1.2740 0.6005 C.ar 1 UNL111111111 -0.1716 13 C 0.8098 0.3624 0.3491 C.ar 1 UNL111111111 -0.1669 14 C 1.2046 0.2731 -2.0375 C.ar 1 UNL111111111 -0.1699 15 C -2.2597 -2.8349 -0.2298 C.ar 1 UNL111111111 -0.1346 16 C -3.4503 -2.5826 0.4511 C.ar 1 UNL111111111 -0.1523 17 C 2.1658 0.1521 0.5587 C.ar 1 UNL111111111 -0.0007 18 C 2.5629 0.0501 -1.8198 C.ar 1 UNL111111111 -0.1385 19 C 3.0333 -0.0106 -0.5133 C.ar 1 UNL111111111 -0.0306 20 H -1.3506 0.6337 -2.3171 H 1 UNL111111111 0.1594 21 H -1.1646 2.1783 0.3623 H 1 UNL111111111 0.1718 22 H -1.0469 2.8284 -1.2806 H 1 UNL111111111 0.1386 23 H -3.3284 3.2271 -0.4024 H 1 UNL111111111 0.1491 24 H -3.4577 2.0284 -1.7030 H 1 UNL111111111 0.1344 25 H -4.7933 1.1945 0.1375 H 1 UNL111111111 0.1170 26 H -0.5984 -1.9822 -1.2928 H 1 UNL111111111 0.1593 27 H -4.8280 -1.0801 1.1265 H 1 UNL111111111 0.1475 28 H -4.0839 2.1883 2.0860 H 1 UNL111111111 0.2502 29 H -3.1314 0.8645 2.2888 H 1 UNL111111111 0.2592 30 H 0.1195 0.4746 1.1902 H 1 UNL111111111 0.1899 31 H 0.8290 0.3268 -3.0592 H 1 UNL111111111 0.1632 32 H -1.9054 -3.8575 -0.3487 H 1 UNL111111111 0.1538 33 H -4.0287 -3.4071 0.8627 H 1 UNL111111111 0.1522 34 H 3.2415 -0.0741 -2.6646 H 1 UNL111111111 0.1721 @BOND 1 1 17 1 2 2 19 1 3 3 7 1 4 3 28 1 5 3 29 1 6 4 5 1 7 4 8 1 8 4 10 1 9 4 20 1 10 5 6 1 11 5 21 1 12 5 22 1 13 6 7 1 14 6 23 1 15 6 24 1 16 7 9 1 17 7 25 1 18 8 9 ar 19 8 11 ar 20 9 12 ar 21 10 13 ar 22 10 14 ar 23 11 15 ar 24 11 26 1 25 12 16 ar 26 12 27 1 27 13 17 ar 28 13 30 1 29 14 18 ar 30 14 31 1 31 15 16 ar 32 15 32 1 33 16 33 1 34 17 19 ar 35 18 19 ar 36 18 34 1