HMDB0247208 RDKit 3D Benzoylphenylalanyl-alanyl-proline 59 61 0 0 0 0 0 0 0 0999 V2000 2.9115 1.0588 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 0.5521 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 -0.0696 -0.7788 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 0.4211 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0585 1.4594 0.6102 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -0.2568 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6738 -0.4472 -1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -1.1271 -1.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -0.4297 -1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4025 -1.0737 -1.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4678 -2.4625 -1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3018 -3.1688 -1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 -2.5099 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3186 0.4180 0.4936 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9777 -0.1442 1.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -1.3017 2.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0103 0.5646 2.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4876 0.0950 3.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4645 0.7187 4.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0056 1.8827 3.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5782 2.4006 2.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5879 1.7354 1.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -0.4300 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9653 -1.6279 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -0.2621 0.0351 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -1.4953 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 -1.2648 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 0.0391 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 0.7468 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 2.1211 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6442 2.8188 -0.6473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 2.8443 -0.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 2.1556 -2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3373 0.5293 -2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9733 0.7831 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 1.4146 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -0.9220 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 -1.2727 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 -0.9806 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 0.5735 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0913 0.6546 -1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2764 -0.4546 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4207 -2.9669 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3506 -4.2483 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1828 -3.1044 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 1.3742 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -0.8172 3.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8001 0.3164 5.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7849 2.4030 4.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 3.3145 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2823 2.1752 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1725 -2.3288 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6119 -1.5708 1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 -2.0972 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -1.0959 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3968 -0.1557 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7805 0.6142 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 0.6625 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 3.2393 0.8157 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 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 2 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 13 8 1 0 22 17 1 0 29 25 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 22 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 28 57 1 0 29 58 1 0 32 59 1 0 M END