@MOLECULE n,s-dimethyl-l-cysteine 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.0379 -0.5585 0.6217 N.3 1 UNK1111111111 -0.5301 2 C 0.7836 -0.3480 -0.1253 C.3 1 UNK1111111111 -0.0071 3 C -0.3970 -1.1371 0.4509 C.3 1 UNK1111111111 -0.3873 4 S -1.9263 -0.8907 -0.5249 S.3 1 UNK1111111111 0.0088 5 C -2.8534 0.3317 0.4512 C.3 1 UNK1111111111 -0.4955 6 C 3.0470 -1.3133 -0.1414 C.3 0 UNK0 -0.2637 7 C 0.5273 1.1509 0.0260 C.2 1 UNK1 0.6496 8 O -0.0369 1.7357 0.9113 O.2 1 UNK1 -0.5238 9 O 1.0405 1.8104 -1.0402 O.3 1 UNK1 -0.5489 10 H 1.8737 -0.9658 1.5395 H 1 UNK1 0.2687 11 H 0.9247 -0.5812 -1.2179 H 1 UNK1 0.1814 12 H -0.5698 -0.8652 1.5108 H 1 UNK1 0.1786 13 H -0.1749 -2.2217 0.4365 H 1 UNK1 0.1701 14 H -3.7964 0.5385 -0.0696 H 1 UNK1 0.1719 15 H -2.3094 1.2808 0.5579 H 1 UNK1 0.1846 16 H -3.0893 -0.0332 1.4561 H 1 UNK1 0.1641 17 H 3.3647 -0.7103 -1.0119 H 0 UNK0 0.1573 18 H 2.7092 -2.2965 -0.4957 H 0 UNK0 0.1200 19 H 3.9386 -1.4546 0.4939 H 0 UNK0 0.1503 20 H 0.9533 2.7929 -0.9789 H 1 UNK1 0.3512 @BOND 1 1 2 1 2 1 6 1 3 1 10 1 4 2 3 1 5 2 7 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 5 1 11 5 14 1 12 5 15 1 13 5 16 1 14 6 17 1 15 6 18 1 16 6 19 1 17 7 8 2 18 7 9 1 19 9 20 1