HMDB0240217 RDKit 3D 3-(Cystein-S-yl)acetaminophen 32 32 0 0 0 0 0 0 0 0999 V2000 4.3630 1.9918 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 1.2641 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 1.8938 -0.7082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -0.0460 0.4812 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 -0.8727 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 -2.1562 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 -3.0017 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3156 -2.6209 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -3.4670 -0.7244 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2461 -1.3770 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 -0.8898 -2.0908 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9078 -0.1984 -1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 1.0824 -0.4467 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3873 0.9118 0.4399 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 1.6917 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7372 1.9131 -0.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6676 2.0369 1.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7947 -0.5377 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 2.3302 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 1.2296 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 2.7972 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -0.4982 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -2.4670 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6301 -3.9914 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -3.2265 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 -0.0655 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -0.9375 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.8461 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 1.7725 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4509 0.1466 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 3.0109 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7999 0.4351 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 10 18 2 0 18 5 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 12 26 1 0 12 27 1 0 13 28 1 6 14 29 1 0 14 30 1 0 17 31 1 0 18 32 1 0 M END