HMDB0254681 RDKit 3D Metoprine 27 28 0 0 0 0 0 0 0 0999 V2000 -0.5161 -0.9550 2.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2722 -0.4577 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6146 -0.4696 0.9067 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 0.0022 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 -0.0741 -0.1841 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 0.5043 -1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2299 0.5458 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 1.0751 -2.1973 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 0.0655 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 0.0858 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6264 0.8712 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 0.8958 0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 0.1264 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 0.1479 -0.0783 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -0.6804 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8707 -1.6790 -2.0729 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 -0.6807 -0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 -1.8039 2.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -0.2503 3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -1.4238 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1423 -0.7288 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2592 0.5035 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1513 2.0722 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 0.6237 -3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1178 1.4717 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 1.5334 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 -1.3212 -1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 9 2 1 0 17 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 12 26 1 0 17 27 1 0 M END