HMDB0015143 RDKit 3D Busulfan 28 27 0 0 0 0 0 0 0 0999 V2000 5.2171 1.1017 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 0.0787 0.6855 S 0 0 0 0 0 6 0 0 0 0 0 0 4.0721 -0.0064 2.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 -1.3313 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 0.7510 0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -0.3016 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 0.0176 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -1.2525 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 -1.0835 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -0.1870 1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5236 0.9717 0.8743 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.8636 0.2759 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0879 1.6800 2.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 1.9558 -0.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 1.0432 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 2.1378 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1997 0.7919 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -0.6084 -1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -1.1308 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 0.8295 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1237 0.3113 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -2.0341 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -1.5812 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -2.0861 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 -0.8007 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 1.0943 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 -0.0808 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3645 -0.5560 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 11 14 2 0 1 15 1 0 1 16 1 0 1 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END