HMDB0001870 RDKit 3D Benzoic acid 15 15 0 0 0 0 0 0 0 0999 V2000 -2.8504 -0.0733 1.0595 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 -0.7764 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 -2.1199 0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -0.1958 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 1.1175 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 1.7060 0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 0.9527 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -0.3791 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 -0.9411 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -2.2945 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 1.7615 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 2.7358 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 1.4473 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 -0.9586 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -1.9822 -0.4344 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 4 1 0 3 10 1 0 5 11 1 0 6 12 1 0 7 13 1 0 8 14 1 0 9 15 1 0 M END