HMDB0000856 RDKit 3D N-alpha-Acetyl-L-citrulline 30 29 0 0 0 0 0 0 0 0999 V2000 -4.1580 -1.5159 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -0.7639 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 -0.9030 1.1518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 0.0879 -0.6667 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 0.8025 0.1810 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0820 0.4722 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 -0.9519 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -1.1151 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 -0.2998 0.8932 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1385 -0.3719 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 0.4120 1.6033 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -1.1122 -0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.2572 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 2.6356 -0.8454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 3.1852 0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -1.5254 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1805 -1.0884 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1785 -2.5720 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 0.1625 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 0.5473 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 1.1167 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 0.7047 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0757 -1.5792 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 -1.3274 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 -2.2018 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 -0.8599 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 0.3400 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1976 1.4021 1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3949 0.0351 2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 4.0268 0.9986 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 10 11 1 0 10 12 2 0 5 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 1 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 15 30 1 0 M END