@MOLECULE azabuperone 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.1538 3.6284 0.3046 F 1 UNL1111111111 -0.1798 2 O -2.7859 -2.4834 -0.8707 O.2 1 UNL1111111111 -0.4665 3 N 3.4323 0.3046 0.3076 N.3 1 UNL1111111111 -0.4466 4 N 1.2293 -1.4131 -0.1795 N.3 1 UNL1111111111 -0.4415 5 C 2.2675 0.7612 -0.5001 C.3 1 UNL1111111111 0.0395 6 C 2.8679 1.8693 -1.3833 C.3 1 UNL1111111111 -0.2869 7 C 1.7201 -0.4788 -1.2322 C.3 1 UNL1111111111 -0.1358 8 C 4.1667 1.5302 0.6985 C.3 1 UNL1111111111 -0.1102 9 C 3.9250 2.5282 -0.4664 C.3 1 UNL1111111111 -0.2747 10 C 2.9724 -0.5709 1.3961 C.3 1 UNL1111111111 -0.1206 11 C 2.3392 -1.8204 0.7213 C.3 1 UNL1111111111 -0.1157 12 C 0.5848 -2.5936 -0.8074 C.3 1 UNL1111111111 -0.1210 13 C -0.2616 -3.3836 0.2114 C.3 1 UNL1111111111 -0.2515 14 C -1.2671 -2.4953 0.9503 C.3 1 UNL1111111111 -0.3629 15 C -2.2058 -1.8372 -0.0303 C.2 1 UNL1111111111 0.4911 16 C -2.4355 -0.3734 0.0803 C.ar 1 UNL1111111111 -0.1888 17 C -1.4057 0.4950 0.4444 C.ar 1 UNL1111111111 -0.0655 18 C -3.7059 0.1204 -0.2291 C.ar 1 UNL1111111111 -0.0447 19 C -1.6358 1.8654 0.5200 C.ar 1 UNL1111111111 -0.2475 20 C -3.9652 1.4857 -0.1506 C.ar 1 UNL1111111111 -0.2571 21 C -2.9184 2.3273 0.2250 C.ar 1 UNL1111111111 0.2391 22 H 1.4529 1.1936 0.1369 H 1 UNL1111111111 0.1229 23 H 2.1076 2.5850 -1.7244 H 1 UNL1111111111 0.1416 24 H 3.3416 1.4462 -2.2845 H 1 UNL1111111111 0.1481 25 H 0.8685 -0.1920 -1.8828 H 1 UNL1111111111 0.1418 26 H 2.5068 -0.9254 -1.8749 H 1 UNL1111111111 0.1348 27 H 5.2383 1.2645 0.7943 H 1 UNL1111111111 0.1406 28 H 3.8381 1.9571 1.6639 H 1 UNL1111111111 0.1133 29 H 4.8573 2.7220 -1.0182 H 1 UNL1111111111 0.1417 30 H 3.5727 3.4979 -0.0853 H 1 UNL1111111111 0.1356 31 H 2.2377 -0.0899 2.0753 H 1 UNL1111111111 0.1220 32 H 3.8449 -0.8790 2.0080 H 1 UNL1111111111 0.1357 33 H 3.1338 -2.3818 0.1846 H 1 UNL1111111111 0.1286 34 H 1.9233 -2.4844 1.5070 H 1 UNL1111111111 0.1363 35 H -0.0879 -2.2298 -1.6195 H 1 UNL1111111111 0.1503 36 H 1.3188 -3.2754 -1.2875 H 1 UNL1111111111 0.1181 37 H -0.8048 -4.1857 -0.3319 H 1 UNL1111111111 0.1539 38 H 0.3911 -3.8941 0.9427 H 1 UNL1111111111 0.1361 39 H -0.7245 -1.7503 1.5670 H 1 UNL1111111111 0.1738 40 H -1.8640 -3.1033 1.6609 H 1 UNL1111111111 0.1630 41 H -0.4031 0.0965 0.6545 H 1 UNL1111111111 0.1922 42 H -4.4931 -0.5717 -0.5400 H 1 UNL1111111111 0.1691 43 H -0.8384 2.5498 0.7994 H 1 UNL1111111111 0.1734 44 H -4.9522 1.8798 -0.3815 H 1 UNL1111111111 0.1747 @BOND 1 1 21 1 2 2 15 2 3 3 5 1 4 3 8 1 5 3 10 1 6 4 7 1 7 4 11 1 8 4 12 1 9 5 6 1 10 5 7 1 11 5 22 1 12 6 9 1 13 6 23 1 14 6 24 1 15 7 25 1 16 7 26 1 17 8 9 1 18 8 27 1 19 8 28 1 20 9 29 1 21 9 30 1 22 10 11 1 23 10 31 1 24 10 32 1 25 11 33 1 26 11 34 1 27 12 13 1 28 12 35 1 29 12 36 1 30 13 14 1 31 13 37 1 32 13 38 1 33 14 15 1 34 14 39 1 35 14 40 1 36 15 16 1 37 16 17 ar 38 16 18 ar 39 17 19 ar 40 17 41 1 41 18 20 ar 42 18 42 1 43 19 21 ar 44 19 43 1 45 20 21 ar 46 20 44 1