HMDB0014583 RDKit 3D Trimethoprim 39 40 0 0 0 0 0 0 0 0999 V2000 2.1139 1.7348 -3.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 0.9562 -2.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 0.7374 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 1.2637 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 1.0632 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2084 1.6209 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 0.6935 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9582 0.0915 1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 -0.7702 1.3678 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4149 -1.0884 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 -2.0134 -0.0385 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 -0.5195 -0.9128 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 0.3612 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 0.9253 -1.9731 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 0.3049 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 -0.2413 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 -1.0061 2.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.2545 3.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -0.0189 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 -0.5834 -0.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -1.8836 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 1.6750 -4.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 2.7931 -2.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 1.4098 -3.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3682 1.8532 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 2.5644 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 1.9915 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 0.3692 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1237 -1.9921 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6352 -2.7153 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 1.8378 -2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 0.3858 -2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 0.1157 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 -0.2713 3.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 -1.8824 3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -1.7854 4.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 -2.6515 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 -2.1517 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 -1.9189 -1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 5 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 2 0 19 20 1 0 20 21 1 0 19 3 1 0 13 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 11 29 1 0 11 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 21 37 1 0 21 38 1 0 21 39 1 0 M END