HMDB0028901 RDKit 3D Isoleucyl-Arginine 45 44 0 0 0 0 0 0 0 0999 V2000 -5.4802 1.7148 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6363 0.8029 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 0.8338 -0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 2.2184 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 -0.1254 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 -1.4892 -0.9259 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 -0.1056 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 0.9937 -0.4062 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 -1.2273 0.2536 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 -1.1346 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 -2.0539 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 -2.0758 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 -0.6764 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8022 -0.1729 -0.7043 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 1.1145 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 2.1274 -0.8955 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7205 1.2563 -1.1555 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.4912 2.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -1.8142 2.7433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 -1.5031 3.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4514 2.7266 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 1.3547 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 1.7588 1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 -0.2197 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 1.1339 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2237 0.4870 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0097 2.3868 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 2.3943 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 3.0199 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 0.1483 -2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 -1.5849 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1466 -2.1038 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 -2.1174 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -0.0873 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 -3.1044 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7181 -1.7593 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 -2.7046 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -2.4146 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 0.0395 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 -0.7805 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 -0.7727 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 3.1107 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 1.6063 -2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4402 1.0241 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 -0.7338 3.9213 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 1 0 15 16 2 3 15 17 1 0 10 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 20 45 1 0 M END