@MOLECULE n-acetyl-s-(methylcarbamoyl)-l-cysteine 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0763 0.1637 0.5439 S.3 1 UNK11111111 -0.1004 2 O 1.9883 2.0442 1.1110 O.3 1 UNK11111111 -0.5676 3 O 1.0555 2.8888 -0.7280 O.2 1 UNK11111111 -0.4724 4 O 2.8236 -1.8092 -1.1927 O.2 0 UNK0 -0.5303 5 O -2.8407 -0.6265 -1.3169 O.2 1 UNK1 -0.4987 6 N 2.0207 -0.4095 0.3897 N.am 1 UNK1 -0.6127 7 N -3.7065 -0.2908 0.7674 N.am 1 UNK1 -0.5619 8 C 1.4275 0.4771 -0.6023 C.3 1 UNK1 0.0454 9 C -0.0163 0.0911 -0.9530 C.3 1 UNK1 -0.3309 10 C 1.4446 1.9269 -0.1267 C.2 1 UNK1 0.6021 11 C 2.7241 -1.5312 -0.0172 C.2 0 UNK0 0.6192 12 C 3.3254 -2.3372 1.0967 C.3 0 UNK0 -0.5299 13 C -2.7047 -0.3101 -0.1608 C.2 1 UNK1 0.5407 14 C -5.0685 -0.6778 0.3884 C.3 1 UNK1 -0.2295 15 H 2.0457 0.4199 -1.5612 H 1 UNK1 0.2088 16 H -0.0459 -0.9313 -1.3897 H 1 UNK1 0.1999 17 H -0.4221 0.7650 -1.7380 H 1 UNK1 0.1950 18 H 1.9264 -0.1578 1.3621 H 1 UNK1 0.3325 19 H 3.6724 -3.3096 0.7102 H 0 UNK0 0.1893 20 H 4.1990 -1.8309 1.5331 H 0 UNK0 0.1789 21 H 2.6102 -2.5447 1.9032 H 0 UNK0 0.1733 22 H -3.5708 -0.0139 1.7262 H 1 UNK1 0.3209 23 H 2.0087 2.9725 1.4524 H 1 UNK1 0.3634 24 H -5.1275 -0.9416 -0.6851 H 1 UNK1 0.1775 25 H -5.7724 0.1536 0.5647 H 1 UNK1 0.1441 26 H -5.3960 -1.5598 0.9664 H 1 UNK1 0.1435 @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