HMDB0028909 RDKit 3D Isoleucyl-Histidine 39 39 0 0 0 0 0 0 0 0999 V2000 -4.0623 0.0642 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 0.7538 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3859 -0.0314 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -0.1731 -1.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 0.6106 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 1.9449 -1.6026 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 0.6846 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 1.8108 0.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 -0.4806 0.4125 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -0.3932 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.1121 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -0.5349 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 -0.9727 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 -0.2347 -2.6793 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2596 0.6457 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 0.4614 -0.7417 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 -0.9467 2.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.4282 2.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 -0.9492 3.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5171 0.6765 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0920 0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 -0.8931 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1701 1.7540 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 0.7813 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -1.0267 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7963 0.8521 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -0.5837 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 -0.8437 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 0.0110 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 2.4999 -1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0176 1.8479 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -1.3848 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 0.6881 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -1.0046 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -2.1780 0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 -1.7853 -1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 1.4052 -2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 0.9865 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 -1.4298 3.4658 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 10 17 1 0 17 18 2 0 17 19 1 0 16 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 M END