HMDB0015072 RDKit 3D Diethylpropion 34 34 0 0 0 0 0 0 0 0999 V2000 -4.0367 -0.1327 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 -0.7802 -0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 0.1515 -0.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 0.0893 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 1.2889 2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -0.3811 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 -1.7059 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 0.6555 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 1.8466 -0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.5041 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 1.6099 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 1.5503 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 0.3488 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -0.7408 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -0.6822 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 0.9687 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 -0.4102 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 -0.4853 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 -1.7630 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 -0.7584 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -0.8000 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -0.1662 1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 1.3725 3.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.2170 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 2.2536 1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -0.6177 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1315 -2.5091 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 -2.1871 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6511 -1.7422 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 2.5624 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8686 2.4330 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 0.2900 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4523 -1.6974 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 -1.5824 -0.8868 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 3 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 M END