HMDB0014814 RDKit 3D Benzyl benzoate 28 29 0 0 0 0 0 0 0 0999 V2000 -0.2442 1.4879 0.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 0.5247 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -0.0763 -1.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 0.2577 -1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1493 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 1.2778 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 1.2123 1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 0.0048 1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -1.1319 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -1.0574 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 0.1024 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 0.7553 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 0.3898 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7541 -0.6691 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0464 -1.3335 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -0.9339 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 1.2692 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.4529 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 2.2732 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 2.1132 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 -0.0490 2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1536 -2.0759 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.9486 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 1.5753 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7556 0.8952 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -0.9437 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5321 -2.1399 -1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -1.4760 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 10 5 1 0 16 11 1 0 4 17 1 0 4 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 M END