HMDB0011655 RDKit 3D 2-(3-Carboxy-3-aminopropyl)-L-histidine 34 34 0 0 0 0 0 0 0 0999 V2000 -4.1864 -1.3177 1.5626 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1792 -0.6804 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 -0.6281 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 0.1226 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 0.0994 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.4818 -1.4252 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 -0.2869 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 0.4452 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 0.8960 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7828 -0.2118 0.0839 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2043 -0.3688 1.3771 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 0.1443 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 0.2942 1.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8485 0.3200 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 0.6757 0.2054 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7345 0.6799 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1521 1.1684 1.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 1.3934 -0.8857 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3742 -1.9304 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3751 -0.6436 2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 -1.3117 -0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8831 -0.1498 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -1.6581 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 1.1748 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 -0.3092 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -0.6248 -2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 1.8628 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 1.0142 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 -1.1300 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -1.1111 1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 0.5286 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5867 -0.1299 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 1.1935 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6943 0.9611 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 8 15 1 0 2 16 1 0 16 17 2 0 16 18 1 0 15 5 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 10 29 1 6 11 30 1 0 11 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 M END