HMDB0015312 RDKit 3D Ifosfamide 29 29 0 0 0 0 0 0 0 0999 V2000 0.2546 -0.5541 2.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 0.1114 0.6949 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4000 -0.3055 -0.3225 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -0.2771 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 -0.5709 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 0.6283 -1.4469 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 1.7932 0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 2.5584 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 2.1793 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.8374 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -0.2069 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.5165 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 -2.6078 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8619 -4.1611 -0.1858 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 0.4079 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 -1.1161 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 0.6767 1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6741 -0.5179 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.5706 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 3.6058 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 2.5231 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 2.1094 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 2.9291 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 0.6341 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 0.8801 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 -1.6147 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3315 -1.7600 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 -2.5152 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 -2.5798 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 2 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 13 29 1 0 M END