HMDB0060689 RDKit 3D Phosphoramide mustard 22 21 0 0 0 0 0 0 0 0999 V2000 2.4259 -0.2513 -1.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.1162 -0.0254 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1145 -2.5130 -0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -1.2246 1.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -0.1897 0.0425 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 0.8415 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 2.2480 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 2.6384 0.8834 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -0.5222 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 -1.1984 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2244 -0.7508 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 0.4034 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -0.9041 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -0.3108 1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 0.7792 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 0.8406 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 2.9405 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 2.4715 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 0.2667 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 -1.3029 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 -1.4717 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0619 -2.2006 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 4 14 1 0 6 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 9 19 1 0 9 20 1 0 10 21 1 0 10 22 1 0 M END