HMDB0033251 RDKit 3D Phenylmethyl benzeneacetate 31 32 0 0 0 0 0 0 0 0999 V2000 0.0717 0.6347 0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -0.3893 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -1.2881 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 -0.6025 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 0.0045 1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 0.6699 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0574 0.7168 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 0.0893 -1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -0.5531 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -0.7473 -1.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -0.0404 -1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 0.1398 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 1.3608 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 1.5044 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.4156 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 -0.8029 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -0.9433 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 -1.5110 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 -2.2375 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 0.0042 2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 1.1531 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9867 1.2111 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 0.1342 -2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -1.0216 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 -0.5542 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.9874 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 2.2130 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 2.4856 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 0.5246 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 -1.6636 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -1.8941 -0.9606 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 9 4 1 0 17 12 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 11 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 M END