HMDB0011160 RDKit 3D Aspartylhydroxyproline 31 31 0 0 0 0 0 0 0 0999 V2000 2.1974 -1.7391 1.6691 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 -0.6003 0.8771 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6566 -0.4556 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 0.5884 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5185 0.4358 -2.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 1.7889 -1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 -1.0598 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -2.2961 0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 -0.1377 0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 1.3246 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 1.9093 -0.8794 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0664 2.9029 -0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 0.8046 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -0.1973 -0.3647 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5790 -1.4489 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -1.3848 -1.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 -2.6815 -0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -1.7440 2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 -2.5940 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6409 0.2509 1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -1.4613 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 -0.2816 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 1.7367 -1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 1.6058 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 1.5537 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 2.3628 -1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 2.5544 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 0.3430 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9268 1.1048 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 0.3309 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -3.5153 -0.4646 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 2 0 4 6 1 0 2 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 1 18 1 0 1 19 1 0 2 20 1 1 3 21 1 0 3 22 1 0 6 23 1 0 10 24 1 0 10 25 1 0 11 26 1 6 12 27 1 0 13 28 1 0 13 29 1 0 14 30 1 1 17 31 1 0 M END