@MOLECULE diazoxide 21 22 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -4.0292 -0.2685 0.0002 Cl 1 UNL11111111 -0.0662 2 S 1.2431 -1.3551 -0.0003 S.O2 1 UNL11111111 2.3550 3 O 1.2004 -2.0643 1.2499 O.2 1 UNL11111111 -0.8568 4 O 1.2016 -2.0626 -1.2514 O.2 1 UNL11111111 -0.8569 5 N 1.4810 1.7469 -0.0013 N.pl3 1 UNL11111111 -0.5820 6 N 2.6407 -0.3330 0.0014 N.2 1 UNL11111111 -0.7779 7 C -0.0649 -0.1619 0.0002 C.ar 1 UNL11111111 -0.4874 8 C 0.1838 1.2181 -0.0005 C.ar 1 UNL11111111 0.2727 9 C 2.6486 0.9450 0.0004 C.2 1 UNL11111111 0.4985 10 C -1.3816 -0.6225 0.0005 C.ar 1 UNL11111111 -0.0220 11 C -0.8905 2.1371 -0.0003 C.ar 1 UNL11111111 -0.2683 12 C -2.4189 0.2971 0.0004 C.ar 1 UNL11111111 -0.0671 13 C -2.1950 1.6730 0.0001 C.ar 1 UNL11111111 -0.0613 14 C 3.9245 1.7304 0.0013 C.3 1 UNL11111111 -0.4733 15 H 1.5790 2.7555 -0.0021 H 1 UNL11111111 0.3215 16 H -1.6038 -1.6990 0.0007 H 1 UNL11111111 0.1881 17 H -0.6952 3.2066 -0.0009 H 1 UNL11111111 0.1640 18 H -3.0309 2.3764 0.0003 H 1 UNL11111111 0.1701 19 H 4.0217 2.3631 -0.8924 H 1 UNL11111111 0.1729 20 H 4.7972 1.0469 0.0023 H 1 UNL11111111 0.2035 21 H 4.0207 2.3645 0.8939 H 1 UNL11111111 0.1729 @BOND 1 4 2 2 2 19 14 1 3 15 5 1 4 5 8 1 5 5 9 1 6 17 11 1 7 8 11 ar 8 8 7 ar 9 11 13 ar 10 2 7 1 11 2 6 1 12 2 3 2 13 13 18 1 14 13 12 ar 15 1 12 1 16 7 10 ar 17 12 10 ar 18 9 14 1 19 9 6 2 20 10 16 1 21 14 20 1 22 14 21 1