HMDB0037667 RDKit 3D o-Tolyl salicylate 29 30 0 0 0 0 0 0 0 0999 V2000 1.8748 -1.9459 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 -0.7389 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 -0.5580 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 0.5532 0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 1.4524 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 1.2871 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6636 0.1768 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 -0.0111 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 0.4877 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 1.0975 -1.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 0.2574 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 -0.4620 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8047 -0.7326 0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6874 -0.3008 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2442 0.3977 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 0.6802 -1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 1.3840 -2.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 -2.5400 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 -2.5212 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 -1.5980 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5025 -1.2976 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 0.7336 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9335 2.3578 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 2.0331 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 -0.8042 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 -1.2900 1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7337 -0.5146 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 0.7756 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5433 1.6407 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 7 2 1 0 16 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 17 29 1 0 M END