HMDB0060559 RDKit 3D Acetaminophen cystein 31 31 0 0 0 0 0 0 0 0999 V2000 4.9024 -2.9755 1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 -1.5674 1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0649 -0.5319 2.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -1.5271 1.1748 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -0.8357 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 -0.7664 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 -0.0832 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 0.5558 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 1.4315 -0.4176 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 0.2511 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 1.0260 -0.6870 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0077 1.4494 -2.0546 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 2.2149 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 2.1638 1.4345 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 3.4751 -0.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2315 0.5113 1.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -0.1739 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 -2.9623 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -3.6710 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -3.0733 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0876 -0.5983 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -1.2935 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 -0.0246 -1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -0.6203 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1001 -0.0458 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1443 0.3853 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 2.1535 -2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 0.6494 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3976 3.6589 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 1.0288 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -0.2046 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 8 16 1 0 16 17 2 0 17 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 6 22 1 0 7 23 1 0 10 24 1 0 10 25 1 0 11 26 1 6 12 27 1 0 12 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 M END