HMDB0061744 RDKit 3D Mono-benzyl phthalate 31 32 0 0 0 0 0 0 0 0999 V2000 4.9986 1.4177 1.6969 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 1.2345 1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 2.1262 1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.1335 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -0.6931 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -1.7448 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 -2.0293 -1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 -1.2337 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 -0.1237 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 0.6392 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 1.6137 1.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 0.2421 0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 1.0071 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7138 0.4508 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 -0.5198 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 -1.0299 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0837 -0.5626 -1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3268 0.4080 -1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 0.9118 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 3.1031 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4524 -0.4431 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9867 -2.3982 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7131 -2.8751 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 -1.4572 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 2.0768 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 0.8946 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -0.8892 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 -1.7897 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9887 -0.9411 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 0.7973 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 1.6742 -1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 4 1 0 19 14 1 0 3 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 13 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 18 30 1 0 19 31 1 0 M END