HMDB0036233 RDKit 3D Butyl ethyl malonate 29 28 0 0 0 0 0 0 0 0999 V2000 -3.4668 -0.0568 2.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -0.1675 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 1.1897 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 1.2974 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7641 0.7548 -1.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.5463 -1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -1.4403 -1.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0411 -0.9405 -2.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 -0.9052 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -0.5458 0.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2318 -1.2593 -0.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.2136 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 0.1783 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4615 0.3845 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5736 -1.1058 2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 0.4817 2.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -0.5921 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 -0.8204 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 1.6785 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 1.8389 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7979 1.0356 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 2.4268 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 -1.9717 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -0.2288 -2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -1.8826 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -1.5027 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 0.3966 1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 0.9590 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0759 0.2549 1.4593 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 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 3 19 1 0 3 20 1 0 4 21 1 0 4 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