@MOLECULE 5-nitro-3h-1,2-benzoxathiole 2,2-dioxide 19 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7509 -0.2250 -0.0022 S.O2 1 UNL1111111111 2.3025 2 O -1.7615 1.2066 0.0046 O.3 1 UNL1111111111 -0.6019 3 O -3.4231 -0.2424 -1.2598 O.2 1 UNL1111111111 -0.8183 4 O -3.4437 -0.2394 1.2440 O.2 1 UNL1111111111 -0.8181 5 O 4.4052 0.5179 -0.0032 O.2 1 UNL1111111111 -0.3953 6 O 3.7792 -1.5416 -0.0012 O.2 1 UNL1111111111 -0.4094 7 N 3.5404 -0.3432 -0.0013 N.pl3 1 UNL1111111111 0.6326 8 C -1.3700 -1.3722 0.0099 C.3 1 UNL1111111111 -0.5783 9 C -0.1684 -0.5028 0.0056 C.ar 1 UNL1111111111 -0.1785 10 C -0.4661 0.8830 0.0038 C.ar 1 UNL1111111111 0.3404 11 C 1.1512 -0.9087 0.0038 C.ar 1 UNL1111111111 -0.0207 12 C 0.5256 1.8628 0.0015 C.ar 1 UNL1111111111 -0.2576 13 C 2.1528 0.0748 0.0008 C.ar 1 UNL1111111111 -0.1624 14 C 1.8504 1.4436 -0.0002 C.ar 1 UNL1111111111 -0.0147 15 H -1.3939 -2.0560 -0.8664 H 1 UNL1111111111 0.2053 16 H -1.3973 -2.0419 0.8970 H 1 UNL1111111111 0.2054 17 H 1.4208 -1.9705 0.0048 H 1 UNL1111111111 0.1880 18 H 0.2562 2.9180 0.0007 H 1 UNL1111111111 0.1927 19 H 2.6636 2.1808 -0.0024 H 1 UNL1111111111 0.1885 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 8 1 5 2 10 1 6 5 7 2 7 6 7 2 8 7 13 1 9 8 9 1 10 8 15 1 11 8 16 1 12 9 10 ar 13 9 11 ar 14 10 12 ar 15 11 13 ar 16 11 17 1 17 12 14 ar 18 12 18 1 19 13 14 ar 20 14 19 1