HMDB0002053 RDKit 3D Histidylproline diketopiperazine 34 36 0 0 0 0 0 0 0 0999 V2000 0.6450 2.5501 0.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 1.3192 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 0.8044 -0.2003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 -0.5894 0.0722 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2603 -1.1353 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 -0.3684 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2071 -0.6393 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1899 0.2573 1.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 1.1008 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 0.7267 -0.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 -1.3320 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 -2.4296 -0.9288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4777 -0.7792 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 -1.3701 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -0.3640 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 0.9507 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 1.0445 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 0.4053 0.7785 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4770 1.3471 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 -0.6532 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2238 -1.1466 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 -2.1859 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -1.4541 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 1.9488 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 1.2371 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 -1.9431 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5325 -2.1288 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -0.2439 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 -0.8028 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 1.7305 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 1.2815 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 2.1263 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.6247 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 0.1106 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 4 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 2 1 0 10 6 1 0 18 13 1 0 3 19 1 0 4 20 1 1 5 21 1 0 5 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 14 26 1 0 14 27 1 0 15 28 1 0 15 29 1 0 16 30 1 0 16 31 1 0 17 32 1 0 17 33 1 0 18 34 1 1 M END