HMDB0032038 RDKit 3D Isopropyl benzoate 24 24 0 0 0 0 0 0 0 0999 V2000 -2.8019 -0.5517 -1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 -0.3832 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 -1.3783 0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 -0.3641 -0.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 0.7293 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8101 1.7746 0.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 0.6534 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8632 -0.5229 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 -0.5895 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 0.4901 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 1.6563 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 1.7460 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -1.0912 -2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 -1.0986 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 0.4248 -2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7022 0.6318 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1683 -2.3652 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -1.5194 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 -0.9873 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -1.3749 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 -1.5205 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 0.4295 0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 2.5385 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 2.6723 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END