HMDB0253021 RDKit 3D Isoleucyl-prolyl-proline 50 51 0 0 0 0 0 0 0 0999 V2000 5.5548 -0.3250 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 1.0415 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 1.0530 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 0.1904 -1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7115 0.5920 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 1.5789 1.9048 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 0.6488 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 1.6990 0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 -0.4448 -0.1934 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -1.7336 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -2.6863 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9495 -1.8249 -1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 -0.4616 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 -0.1199 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 -0.0228 1.6505 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0073 0.0916 0.3751 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 0.4122 1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 0.3002 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 -0.4851 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8711 0.0703 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1795 1.4436 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 2.4907 -0.7205 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9938 1.5875 -2.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -1.0888 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -0.5790 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -0.3332 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 1.7239 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 1.4166 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 2.1103 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -0.8665 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 0.5700 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 0.2567 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -0.4204 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6572 2.5171 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.4282 2.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 -2.0210 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 -1.7464 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 -2.7449 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -3.6404 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -1.8478 -2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -2.2277 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 0.2846 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 1.4468 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 -0.3089 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7536 1.2986 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9489 -0.2234 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -1.5566 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0204 -0.2611 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 -0.5015 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7687 2.2192 -2.4467 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 13 9 1 0 20 16 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 23 50 1 0 M END