HMDB0015417 RDKit 3D Fosphenytoin 40 42 0 0 0 0 0 0 0 0999 V2000 2.0127 -1.2379 2.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 -0.5718 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 -0.1626 1.7601 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 0.1688 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 1.1158 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9247 2.2611 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 3.0972 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 2.7918 1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 1.6424 1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 0.8229 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 -1.0999 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 -1.1195 -1.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 -2.2720 -1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -3.4690 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 -3.4575 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -2.2912 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 0.6345 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 1.4676 -1.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -0.0629 0.2638 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9101 -0.2025 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 0.8266 -0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 0.5122 -0.9545 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9118 -0.3751 -2.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 -0.1717 0.0512 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 2.0315 -1.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 -0.1057 2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 2.5631 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 3.9939 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7027 3.4936 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4326 1.4451 2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 -0.0689 2.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 -0.1868 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -2.2842 -2.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 -4.3866 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -4.3961 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -2.3001 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 -0.1898 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -1.1657 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2813 0.0828 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7626 2.6267 -0.6836 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 4 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 19 2 1 0 10 5 1 0 16 11 1 0 3 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 20 37 1 0 20 38 1 0 24 39 1 0 25 40 1 0 M END