HMDB0000904 RDKit 3D Citrulline 25 24 0 0 0 0 0 0 0 0999 V2000 4.8263 -0.4259 -0.2908 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 0.3608 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 1.6080 -0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 -0.2349 -0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 0.6324 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -0.1235 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 0.8507 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 0.1831 0.5635 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6210 -0.5802 1.7729 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 -0.6314 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 -1.8307 -0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 -0.1084 -1.9053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6758 -0.1179 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 -1.3747 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -1.2712 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 1.4012 0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 1.1809 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 -0.7281 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -0.8324 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 1.4671 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 1.5333 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 0.9978 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1361 -1.4955 1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6347 -0.6770 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 0.2165 -2.2703 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 1 9 23 1 0 9 24 1 0 12 25 1 0 M END