HMDB0034168 RDKit 3D Toluene 15 15 0 0 0 0 0 0 0 0999 V2000 2.2118 0.0497 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 0.0188 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0334 -1.1792 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 -1.2257 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 -0.0594 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 1.1231 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 1.1912 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 -0.9233 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 0.7912 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 0.4066 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 -2.0879 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -2.1835 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -0.1042 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 2.0432 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 2.1393 -0.0848 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 2 1 0 1 8 1 0 1 9 1 0 1 10 1 0 3 11 1 0 4 12 1 0 5 13 1 0 6 14 1 0 7 15 1 0 M END