@MOLECULE n-acetyl-s-(methylcarbamoyl)cysteine 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0729 0.2518 -0.5222 S.3 1 UNK111111111 -0.1012 2 O 2.0212 2.0096 -1.1414 O.3 1 UNK111111111 -0.5655 3 O 1.1896 2.9025 0.7224 O.2 1 UNK111111111 -0.4736 4 O 2.7641 -1.8553 1.1902 O.2 0 UNK0 -0.5304 5 O -2.8189 -0.6286 1.3120 O.2 1 UNK1 -0.4993 6 N 1.9864 -0.4449 -0.3918 N.am 1 UNK1 -0.6137 7 N -3.6926 -0.2568 -0.7602 N.am 1 UNK1 -0.5618 8 C 1.4430 0.4752 0.5978 C.3 1 UNK1 0.0446 9 C -0.0087 0.1445 0.9695 C.3 1 UNK1 -0.3303 10 C 1.5147 1.9212 0.1138 C.2 1 UNK1 0.6022 11 C 2.6434 -1.5968 0.0123 C.2 0 UNK0 0.6201 12 C 3.1566 -2.4593 -1.1029 C.3 0 UNK0 -0.5291 13 C -2.6882 -0.2822 0.1640 C.2 1 UNK1 0.5395 14 C -5.0459 -0.6752 -0.3841 C.3 1 UNK1 -0.2291 15 H 2.0705 0.3984 1.5474 H 1 UNK1 0.2093 16 H -0.3819 0.8337 1.7559 H 1 UNK1 0.1941 17 H -0.0685 -0.8777 1.4059 H 1 UNK1 0.2007 18 H 1.8615 -0.2094 -1.3655 H 1 UNK1 0.3318 19 H 3.8094 -3.2507 -0.6970 H 0 UNK0 0.1895 20 H 2.3298 -2.9584 -1.6287 H 0 UNK0 0.1789 21 H 3.7432 -1.8962 -1.8403 H 0 UNK0 0.1735 22 H -3.5643 0.0457 -1.7120 H 1 UNK1 0.3208 23 H 2.0635 2.9350 -1.4908 H 1 UNK1 0.3632 24 H -5.0930 -0.9648 0.6846 H 1 UNK1 0.1781 25 H -5.3639 -1.5468 -0.9829 H 1 UNK1 0.1434 26 H -5.7586 0.1536 -0.5396 H 1 UNK1 0.1442 @BOND 1 1 9 1 2 1 13 1 3 2 10 1 4 2 23 1 5 3 10 2 6 4 11 2 7 5 13 2 8 6 8 1 9 6 11 am 10 6 18 1 11 7 13 am 12 7 14 1 13 7 22 1 14 8 9 1 15 8 10 1 16 8 15 1 17 9 16 1 18 9 17 1 19 11 12 1 20 12 19 1 21 12 20 1 22 12 21 1 23 14 24 1 24 14 25 1 25 14 26 1