HMDB0000845 RDKit 3D Neopterin 29 30 0 0 0 0 0 0 0 0999 V2000 5.5729 -0.2706 1.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 -0.1054 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 -1.1216 0.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -0.8861 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1726 -1.8818 0.0249 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1012 -1.6383 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 -0.3585 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 -0.0565 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 -0.9202 -1.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.0659 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3318 0.8125 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2001 0.3807 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0322 0.3657 0.9449 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3654 0.6352 -0.4675 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6431 0.3984 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 1.4252 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 2.5960 -0.2107 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 1.1758 0.3896 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3085 -0.2500 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 -0.4111 2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -2.4799 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 0.9702 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -1.4096 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 -1.1111 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 1.6828 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1029 1.4060 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6388 -0.3259 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 -0.5305 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 1.9747 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 7 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 2 1 0 15 4 1 0 1 19 1 0 1 20 1 0 6 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 18 29 1 0 M END