HMDB0028695 RDKit 3D Alanylproline 27 27 0 0 0 0 0 0 0 0999 V2000 3.2539 0.6840 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 -0.3493 0.6428 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0844 -1.2867 -0.4296 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 0.3286 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 1.1225 1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 0.0986 0.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -0.7482 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -0.4288 -1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -0.2833 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 0.6869 0.2145 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0544 0.6162 1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 0.0746 2.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2883 1.2360 1.8332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 0.8342 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2152 0.2496 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 1.6361 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 -0.9109 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 -2.2691 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -1.1281 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -1.8159 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -0.4095 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.5693 -2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -1.2191 -2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 0.1471 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -1.2497 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 1.6652 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 2.1496 1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 10 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 1 3 18 1 0 3 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 6 13 27 1 0 M END