@MOLECULE n-acetyl-s-(carboxymethyl)-l-cysteine 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0753 -0.1821 -0.2818 S.3 1 UNK1111111111 0.0589 2 O 1.9131 -1.9384 -1.2629 O.3 1 UNK1111111111 -0.5542 3 O 1.2597 -2.8914 0.6454 O.2 1 UNK1111111111 -0.4877 4 O 3.0651 1.6799 1.1592 O.2 0 UNK0 -0.5364 5 O -3.9134 1.4762 0.6597 O.3 1 UNK1 -0.5564 6 O -4.2794 0.1877 -1.1234 O.2 1 UNK1 -0.4844 7 N 1.9612 0.4978 -0.4080 N.am 1 UNK1 -0.6131 8 C 1.5201 -0.4725 0.5847 C.3 1 UNK1 0.0398 9 C 0.1123 -0.1594 1.1167 C.3 1 UNK1 -0.3657 10 C 1.5312 -1.8934 0.0357 C.2 1 UNK1 0.6074 11 C 2.7559 1.5625 -0.0076 C.2 0 UNK0 0.6194 12 C -2.6692 -0.5014 0.5659 C.3 1 UNK1 -0.4214 13 C 3.1592 2.5149 -1.0928 C.3 0 UNK0 -0.5258 14 C -3.6839 0.3691 -0.0955 C.2 1 UNK1 0.6481 15 H 2.2426 -0.4463 1.4687 H 1 UNK1 0.2095 16 H -0.1704 -0.8939 1.8959 H 1 UNK1 0.1790 17 H 0.1110 0.8380 1.6037 H 1 UNK1 0.1871 18 H 1.7159 0.3323 -1.3728 H 1 UNK1 0.3340 19 H -2.6072 -0.2976 1.6544 H 1 UNK1 0.1967 20 H -2.9466 -1.5731 0.4545 H 1 UNK1 0.1994 21 H 3.7778 3.3257 -0.6718 H 0 UNK0 0.1896 22 H 3.7546 2.0245 -1.8746 H 0 UNK0 0.1772 23 H 2.2890 2.9863 -1.5715 H 0 UNK0 0.1791 24 H 1.9069 -2.8541 -1.6437 H 1 UNK1 0.3631 25 H -4.5706 2.0987 0.2581 H 1 UNK1 0.3567 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 24 1 5 3 10 2 6 4 11 2 7 5 14 1 8 5 25 1 9 6 14 2 10 7 8 1 11 7 11 am 12 7 18 1 13 8 9 1 14 8 10 1 15 8 15 1 16 9 16 1 17 9 17 1 18 11 13 1 19 12 14 1 20 12 19 1 21 12 20 1 22 13 21 1 23 13 22 1 24 13 23 1