@MOLECULE n,n-diacetyl-l-cysteine 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.5185 2.7433 0.5888 S.3 1 UNL1111111111 -0.1744 2 O 1.6743 -1.5947 -1.1122 O.3 1 UNL1111111111 -0.5491 3 O 3.0482 0.0271 -0.4127 O.2 1 UNL1111111111 -0.4793 4 O 0.8753 -1.1228 1.5549 O.2 1 UNL1111111111 -0.5071 5 O -2.6424 -1.0042 -0.3165 O.2 1 UNL1111111111 -0.5038 6 N -0.4846 -0.3858 -0.0722 N.am 1 UNL1111111111 -0.5830 7 C 0.6407 0.4564 -0.5081 C.3 1 UNL1111111111 0.0344 8 C 0.9017 1.6040 0.4779 C.3 1 UNL1111111111 -0.3480 9 C 1.9322 -0.3609 -0.6194 C.2 1 UNL1111111111 0.6188 10 C -0.2269 -1.2151 1.0612 C.2 1 UNL1111111111 0.6416 11 C -1.6979 -0.4227 -0.7981 C.2 1 UNL1111111111 0.6380 12 C -1.2826 -2.1238 1.5789 C.3 1 UNL1111111111 -0.5081 13 C -1.7809 0.2532 -2.1312 C.3 1 UNL1111111111 -0.5313 14 H 0.4432 0.8713 -1.5378 H 1 UNL1111111111 0.1787 15 H 1.7853 2.1967 0.1513 H 1 UNL1111111111 0.1955 16 H 1.1820 1.2117 1.4796 H 1 UNL1111111111 0.1991 17 H -1.6367 -2.8342 0.8110 H 1 UNL1111111111 0.1988 18 H -0.9059 -2.7106 2.4333 H 1 UNL1111111111 0.1862 19 H -2.1811 -1.5749 1.9118 H 1 UNL1111111111 0.1988 20 H -1.6838 1.3476 -2.0578 H 1 UNL1111111111 0.1929 21 H -2.7705 0.0599 -2.5847 H 1 UNL1111111111 0.1935 22 H -1.0296 -0.1220 -2.8410 H 1 UNL1111111111 0.1834 23 H -1.3282 2.0372 1.3884 H 1 UNL1111111111 0.1620 24 H 2.4775 -2.1768 -1.1466 H 1 UNL1111111111 0.3623 @BOND 1 1 8 1 2 1 23 1 3 2 9 1 4 2 24 1 5 3 9 2 6 4 10 2 7 5 11 2 8 6 7 1 9 6 10 am 10 6 11 am 11 7 8 1 12 7 9 1 13 7 14 1 14 8 15 1 15 8 16 1 16 10 12 1 17 11 13 1 18 12 17 1 19 12 18 1 20 12 19 1 21 13 20 1 22 13 21 1 23 13 22 1