HMDB0042046 RDKit 3D Treosulfan 30 29 0 0 0 0 0 0 0 0999 V2000 -4.8509 -0.2763 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -0.1537 0.7199 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.8638 -1.4129 1.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 0.9709 1.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1904 0.2257 0.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 -0.4600 -0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 -0.3240 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 0.7860 -1.5506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 -0.1933 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 1.0685 1.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7572 -0.3323 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 0.7119 -0.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8268 1.0937 0.1722 S 0 0 0 0 0 6 0 0 0 0 0 0 4.7919 -0.3788 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9561 1.6276 1.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 2.1222 -0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 -1.2248 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8896 -0.2661 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8036 0.6253 -1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9477 -1.5362 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -0.0112 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -1.2117 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 1.4645 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2517 -0.9573 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 1.7751 0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -1.2925 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 -0.3050 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 -0.1490 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -0.8903 0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 -1.0958 -0.7327 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 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 13 16 2 0 1 17 1 0 1 18 1 0 1 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 M END