@MOLECULE azosemide 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.7400 -2.8076 0.0414 Cl 1 UNL1111111111 -0.0649 2 S 4.2722 0.0515 0.0539 S.O2 1 UNL1111111111 2.3891 3 S -4.7944 -0.7863 -1.1652 S.2 1 UNL1111111111 0.2744 4 O 4.5953 1.4432 -0.1696 O.2 1 UNL1111111111 -0.9206 5 O 4.8295 -0.6791 1.1658 O.2 1 UNL1111111111 -0.9058 6 N -1.6644 -0.3588 0.0104 N.pl3 1 UNL1111111111 -0.4894 7 N 4.7877 -0.7933 -1.3746 N.3 1 UNL1111111111 -0.9494 8 N 0.2320 3.4943 0.1539 N.ar 1 UNL1111111111 -0.2677 9 N -1.7475 2.4569 0.0033 N.ar 1 UNL1111111111 -0.3050 10 N -0.8030 4.3638 0.1417 N.ar 1 UNL1111111111 -0.1171 11 N -1.9898 3.7237 0.0565 N.ar 1 UNL1111111111 0.0011 12 C -0.3109 -0.2742 0.0345 C.ar 1 UNL1111111111 0.3591 13 C 0.3526 0.9983 0.0391 C.ar 1 UNL1111111111 -0.2578 14 C 2.5303 -0.1122 0.0388 C.ar 1 UNL1111111111 -0.5347 15 C 1.7520 1.0421 0.0319 C.ar 1 UNL1111111111 0.0869 16 C 0.4915 -1.4496 0.0395 C.ar 1 UNL1111111111 -0.3891 17 C -2.3913 -1.6389 0.0850 C.3 1 UNL1111111111 -0.0504 18 C 1.8611 -1.3374 0.0427 C.ar 1 UNL1111111111 0.2285 19 C -0.3460 2.2596 0.0623 C.ar 1 UNL1111111111 0.2018 20 C -3.8485 -1.3771 0.1756 C.ar 1 UNL1111111111 -0.2060 21 C -4.6397 -1.5464 1.2784 C.ar 1 UNL1111111111 -0.1480 22 C -6.0125 -1.2058 1.0455 C.ar 1 UNL1111111111 -0.1746 23 C -6.2510 -0.7748 -0.2282 C.ar 1 UNL1111111111 -0.2723 24 H 2.2439 2.0356 0.0226 H 1 UNL1111111111 0.2027 25 H -2.2246 0.4904 0.0403 H 1 UNL1111111111 0.3536 26 H 0.0169 -2.4264 0.0376 H 1 UNL1111111111 0.1807 27 H -2.0428 -2.2189 0.9802 H 1 UNL1111111111 0.1606 28 H -2.1397 -2.2634 -0.8114 H 1 UNL1111111111 0.1610 29 H -4.2945 -1.8947 2.2412 H 1 UNL1111111111 0.1650 30 H 5.1870 -0.2366 -2.1105 H 1 UNL1111111111 0.2932 31 H 5.3200 -1.6360 -1.2357 H 1 UNL1111111111 0.2950 32 H -6.7601 -1.2884 1.8204 H 1 UNL1111111111 0.1647 33 H -7.1935 -0.4582 -0.6396 H 1 UNL1111111111 0.1769 34 H -0.6704 5.3586 0.2329 H 1 UNL1111111111 0.3583 @BOND 1 1 18 1 2 2 4 2 3 2 5 2 4 2 7 1 5 2 14 1 6 3 20 ar 7 3 23 ar 8 6 12 1 9 6 17 1 10 6 25 1 11 7 30 1 12 7 31 1 13 8 10 ar 14 8 19 ar 15 9 11 ar 16 9 19 ar 17 10 11 ar 18 10 34 1 19 12 13 ar 20 12 16 ar 21 13 15 ar 22 13 19 1 23 14 15 ar 24 14 18 ar 25 15 24 1 26 16 18 ar 27 16 26 1 28 17 20 1 29 17 27 1 30 17 28 1 31 20 21 ar 32 21 22 ar 33 21 29 1 34 22 23 ar 35 22 32 1 36 23 33 1