@MOLECULE neo-tizide 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.4549 0.0119 0.0610 S.O2 1 UNL1111111111 2.3995 2 O 4.1435 1.5234 -0.0207 O.3 1 UNL1111111111 -0.8649 3 O 3.7936 -0.6836 -1.1464 O.2 1 UNL1111111111 -0.8780 4 O 3.8024 -0.4834 1.3592 O.2 1 UNL1111111111 -0.8665 5 O -0.7965 -1.3728 1.0513 O.2 1 UNL1111111111 -0.4130 6 N 0.9898 -0.4249 -0.7737 N.3 1 UNL1111111111 -0.2683 7 N -0.3760 -0.0968 -0.8155 N.am 1 UNL1111111111 -0.5060 8 N -5.2640 0.6295 -0.0539 N.ar 1 UNL1111111111 -0.3537 9 C 1.7688 0.6152 -0.0539 C.3 1 UNL1111111111 -0.4745 10 C -2.6042 -0.1636 0.0803 C.ar 1 UNL1111111111 -0.0731 11 C -1.1829 -0.6175 0.1979 C.2 1 UNL1111111111 0.5697 12 C -3.5906 -1.0965 -0.2230 C.ar 1 UNL1111111111 -0.1976 13 C -2.9456 1.1647 0.3233 C.ar 1 UNL1111111111 -0.2394 14 C -4.9194 -0.6510 -0.2799 C.ar 1 UNL1111111111 0.0606 15 C -4.2997 1.5189 0.2453 C.ar 1 UNL1111111111 0.0635 16 H 1.3387 0.7321 0.9718 H 1 UNL1111111111 0.2010 17 H 1.7418 1.6241 -0.5161 H 1 UNL1111111111 0.1683 18 H 1.3196 -0.5376 -1.7519 H 1 UNL1111111111 0.2786 19 H -0.6881 0.6407 -1.4328 H 1 UNL1111111111 0.2972 20 H -3.3421 -2.1422 -0.3996 H 1 UNL1111111111 0.1834 21 H -2.1956 1.9055 0.5833 H 1 UNL1111111111 0.1664 22 H -5.7460 -1.3343 -0.5120 H 1 UNL1111111111 0.1779 23 H -4.6376 2.5465 0.4269 H 1 UNL1111111111 0.1762 24 H 5.0318 1.6410 0.3312 H 1 UNL1111111111 0.3927 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 9 1 5 2 24 1 6 5 11 2 7 6 7 1 8 6 9 1 9 6 18 1 10 7 11 am 11 7 19 1 12 8 14 ar 13 8 15 ar 14 9 16 1 15 9 17 1 16 10 11 1 17 10 12 ar 18 10 13 ar 19 12 14 ar 20 12 20 1 21 13 15 ar 22 13 21 1 23 14 22 1 24 15 23 1