HMDB0059812 RDKit 3D Butylbenzene 24 24 0 0 0 0 0 0 0 0999 V2000 3.1166 0.7020 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 -0.1126 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.4931 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.3145 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -0.5249 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 0.2979 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 1.0035 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9941 0.9308 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 0.0909 1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 -0.6343 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 1.7602 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 0.2329 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 0.7540 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 -1.0048 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 0.4782 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.0869 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 0.4196 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 -1.4359 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 -2.3069 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6611 0.3831 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 1.6564 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 1.4969 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 0.0027 2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -1.2954 1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 M END