HMDB0257277 RDKit 3D {1-[2-(4-Carbamimidoyl-benzoylamino)-propionyl]-piperidin-4-yloxy}-acetic acid 51 52 0 0 0 0 0 0 0 0999 V2000 0.3214 -0.8430 -2.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 -0.4055 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 -0.6004 -0.6448 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3256 0.5277 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 1.6751 -0.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 0.4408 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 -0.7298 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -0.7883 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3129 0.3640 1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6571 0.3820 1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 -0.6980 2.0494 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 1.6162 2.3905 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6179 1.5568 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 1.5772 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6935 -1.3125 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -2.1525 0.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -1.2077 -0.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 -2.0784 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9504 -1.1695 0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5543 -0.0237 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8383 -0.3848 -0.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8326 0.2573 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 1.7262 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 2.3224 -0.7106 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8003 2.4928 0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7075 0.5601 -1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 -0.2658 -1.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -1.4655 -2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -1.4431 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 0.0859 -3.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.6528 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 -1.5388 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -1.6408 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1937 -1.7492 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0504 -1.6501 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 2.3764 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 1.7760 3.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 2.4914 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 2.5428 0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6639 -2.5444 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -2.7864 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -0.8058 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 -1.7619 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 0.7736 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8451 -0.1699 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -0.0077 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4642 2.0291 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 0.7360 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 1.5892 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 -0.7644 -2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 0.4360 -2.0735 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 3 10 12 1 0 9 13 1 0 13 14 2 0 2 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 20 26 1 0 26 27 1 0 14 6 1 0 27 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 7 33 1 0 8 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 22 45 1 0 22 46 1 0 25 47 1 0 26 48 1 0 26 49 1 0 27 50 1 0 27 51 1 0 M END