@MOLECULE 5-(1-piperazinylsulfonyl)isoquinoline 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.6539 0.8074 -0.9695 S.O2 1 UNL111111111 2.3236 2 O -0.3610 2.1193 -0.4408 O.2 1 UNL111111111 -0.9154 3 O -1.0062 0.6195 -2.3569 O.2 1 UNL111111111 -0.8924 4 N -1.9727 0.1395 -0.0287 N.3 1 UNL111111111 -0.7417 5 N -4.3612 -0.4021 1.4441 N.3 1 UNL111111111 -0.5361 6 N 4.4758 0.6976 1.0123 N.ar 1 UNL111111111 -0.3676 7 C -2.2005 0.7746 1.2870 C.3 1 UNL111111111 -0.0696 8 C -3.2530 -0.0708 -0.7345 C.3 1 UNL111111111 -0.0737 9 C -3.0750 -0.1771 2.1432 C.3 1 UNL111111111 -0.1221 10 C -4.1286 -1.0245 0.1204 C.3 1 UNL111111111 -0.1221 11 C 0.6515 -0.3182 -0.5705 C.ar 1 UNL111111111 -0.3989 12 C 1.9096 0.0776 -0.0349 C.ar 1 UNL111111111 0.1049 13 C 0.3929 -1.6468 -0.8194 C.ar 1 UNL111111111 -0.0173 14 C 2.8691 -0.9336 0.2288 C.ar 1 UNL111111111 -0.1319 15 C 1.3549 -2.6480 -0.5435 C.ar 1 UNL111111111 -0.1941 16 C 2.2946 1.4159 0.2550 C.ar 1 UNL111111111 -0.2494 17 C 2.5747 -2.2958 -0.0278 C.ar 1 UNL111111111 -0.0781 18 C 4.1449 -0.5534 0.7554 C.ar 1 UNL111111111 0.0555 19 C 3.5489 1.6768 0.7614 C.ar 1 UNL111111111 0.0427 20 H -2.7078 1.7626 1.1942 H 1 UNL111111111 0.1458 21 H -1.2313 0.9494 1.8035 H 1 UNL111111111 0.1413 22 H -3.0718 -0.5278 -1.7335 H 1 UNL111111111 0.1541 23 H -3.8062 0.8821 -0.9006 H 1 UNL111111111 0.1388 24 H -2.5198 -1.1182 2.3416 H 1 UNL111111111 0.1204 25 H -3.2908 0.3009 3.1219 H 1 UNL111111111 0.1349 26 H -5.1127 -1.1667 -0.3735 H 1 UNL111111111 0.1337 27 H -3.6394 -2.0184 0.1906 H 1 UNL111111111 0.1186 28 H -4.9856 -0.9735 2.0090 H 1 UNL111111111 0.2499 29 H -0.5672 -1.9776 -1.2375 H 1 UNL111111111 0.1687 30 H 1.1096 -3.6882 -0.7500 H 1 UNL111111111 0.1607 31 H 1.6054 2.2533 0.0840 H 1 UNL111111111 0.2216 32 H 3.3317 -3.0502 0.1893 H 1 UNL111111111 0.1517 33 H 4.9036 -1.3184 0.9638 H 1 UNL111111111 0.1691 34 H 3.8875 2.6930 0.9960 H 1 UNL111111111 0.1744 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 11 1 5 4 7 1 6 4 8 1 7 5 9 1 8 5 10 1 9 5 28 1 10 6 18 ar 11 6 19 ar 12 7 9 1 13 7 20 1 14 7 21 1 15 8 10 1 16 8 22 1 17 8 23 1 18 9 24 1 19 9 25 1 20 10 26 1 21 10 27 1 22 11 12 ar 23 11 13 ar 24 12 14 ar 25 12 16 ar 26 13 15 ar 27 13 29 1 28 14 17 ar 29 14 18 ar 30 15 17 ar 31 15 30 1 32 16 19 ar 33 16 31 1 34 17 32 1 35 18 33 1 36 19 34 1