@MOLECULE n-acetyl-s-nitroso-l-cysteine 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2682 1.4823 0.2956 S.3 1 UNK1111111111 0.0169 2 O -0.4041 -1.6060 -1.3620 O.3 1 UNK1111111111 -0.5587 3 O -0.7742 -2.6437 0.5773 O.2 1 UNK1111111111 -0.4775 4 O 3.1498 0.1969 0.9756 O.2 0 UNK0 -0.5348 5 O -3.5583 0.9025 -0.7042 O.2 1 UNK1 -0.0630 6 N 1.3883 0.0467 -0.4217 N.am 1 UNK1 -0.6135 7 N -2.7296 0.4617 -0.0071 N.2 1 UNK1 0.0215 8 C 0.5832 -0.6260 0.5872 C.3 1 UNK1 0.0348 9 C -0.3307 0.3375 1.3623 C.3 1 UNK1 -0.3634 10 C -0.2662 -1.7357 -0.0209 C.2 1 UNK1 0.6030 11 C 2.6877 0.4280 -0.1212 C.2 0 UNK0 0.6193 12 C 3.4267 1.1215 -1.2261 C.3 0 UNK0 -0.5269 13 H 1.2844 -1.1221 1.3400 H 1 UNK1 0.2108 14 H 0.2905 0.9692 2.0363 H 1 UNK1 0.1935 15 H -1.0150 -0.2339 2.0260 H 1 UNK1 0.1935 16 H 0.9543 0.2323 -1.3145 H 1 UNK1 0.3345 17 H 4.4584 1.3472 -0.9063 H 0 UNK0 0.1903 18 H 3.4951 0.5040 -2.1321 H 0 UNK0 0.1778 19 H 2.9557 2.0759 -1.4990 H 0 UNK0 0.1778 20 H -0.9554 -2.3217 -1.7717 H 1 UNK1 0.3640 @BOND 1 1 7 1 2 1 9 1 3 2 10 1 4 2 20 1 5 3 10 2 6 4 11 2 7 5 7 2 8 6 8 1 9 6 11 am 10 6 16 1 11 8 9 1 12 8 10 1 13 8 13 1 14 9 14 1 15 9 15 1 16 11 12 1 17 12 17 1 18 12 18 1 19 12 19 1