HMDB0002120 RDKit 3D Monoethyl phthalate 24 24 0 0 0 0 0 0 0 0999 V2000 3.6993 0.0414 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 -0.4736 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.7806 -0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 0.2103 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3337 1.3133 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 -0.1972 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8539 -1.5327 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -2.0095 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1902 -1.1968 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 0.1018 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 0.6176 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 2.0171 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 2.6103 0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 2.7950 0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 0.9427 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 0.3533 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 -0.7322 1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 0.2606 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 -1.4311 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 -2.2272 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -3.0549 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 -1.6114 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 0.7903 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 3.1935 -0.2127 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 11 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 14 24 1 0 M END