HMDB0015371 RDKit 3D Gemfibrozil 40 40 0 0 0 0 0 0 0 0999 V2000 5.1181 -1.8713 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -0.6703 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7552 0.5579 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9367 1.6638 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.6021 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7007 2.7964 0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0736 0.3759 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 0.3104 -0.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -0.9464 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 -0.8099 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0402 -0.3510 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5249 -0.2006 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 0.2677 1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 -1.5152 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 0.8133 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4697 1.8811 -0.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5641 0.6408 -2.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 -0.7296 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 -2.1325 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -2.7333 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 -1.7484 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 0.5896 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 2.6226 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 2.8672 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3873 3.6855 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 2.8112 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 -1.2198 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3836 -1.6835 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 -0.0255 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 -1.7880 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 0.6521 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -1.0634 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4249 -0.6255 2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9055 0.9686 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 0.7773 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 -1.4697 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0549 -1.7143 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -2.3513 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 1.4478 -2.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 -1.6816 -0.4283 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 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 15 16 2 0 15 17 1 0 7 18 2 0 18 2 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 6 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 17 39 1 0 18 40 1 0 M END