HMDB0059814 RDKit 3D Diethyl methylsuccinate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.6350 0.5129 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 -0.6219 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -0.3206 0.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8799 -0.1449 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -0.2729 -1.8508 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4452 0.1754 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 0.2388 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 -1.0551 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 0.6187 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0598 1.6584 0.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 -0.1140 -0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9405 0.1899 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 0.2596 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5735 0.6450 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8987 0.2946 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0383 1.4499 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1428 -0.6703 1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1091 -1.6065 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -0.6328 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 1.1019 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 1.0148 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 -1.5933 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 -1.6803 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 -0.7701 2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 1.1156 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 -0.6459 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 0.0882 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 1.2879 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4123 -0.5229 1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 M END