HMDB0000679 RDKit 3D Homocitrulline 28 27 0 0 0 0 0 0 0 0999 V2000 4.1898 0.9831 -1.0942 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 0.5464 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 1.4030 -0.9556 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -0.7844 -0.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2821 -1.2475 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -0.4374 1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 -0.8592 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 -0.7628 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 0.6687 -0.1952 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2082 1.4741 0.9106 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 0.8076 -1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 1.5776 -1.2302 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 0.1469 -2.5453 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.4579 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 1.7900 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4284 -1.4329 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 -1.0653 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.3201 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6879 0.6350 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 -0.5856 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 -1.8866 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -0.1941 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4753 -1.4066 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 -1.0346 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 0.9809 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 0.9673 1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7421 2.3195 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 -0.7409 -2.7766 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 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 6 10 26 1 0 10 27 1 0 13 28 1 0 M END