HMDB0257276 RDKit 3D (4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-acetyl}-2-carboxymethoxy-pheno... 53 54 0 0 0 0 0 0 0 0999 V2000 1.6916 -2.5644 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -1.2128 0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 -0.8968 0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 -0.4772 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 -0.4530 -1.5361 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 -0.0845 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 0.2984 -2.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 0.6618 -2.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 0.6448 -1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8417 1.0093 -1.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3047 1.3687 -2.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2191 0.2686 -3.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 -0.8937 -3.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5964 0.5133 -5.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 0.2572 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 0.2763 0.9878 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -0.0417 2.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1147 0.7778 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 1.7242 2.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 0.4700 4.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 -0.0991 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3053 -0.1801 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 0.9788 1.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -0.1384 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 1.0531 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 1.1423 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5865 0.0524 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0326 0.1422 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8233 -0.8179 0.3335 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6385 1.4147 0.8871 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9302 -1.1237 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5313 -1.2151 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -3.1634 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 -2.7180 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 -3.1038 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 -0.0144 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 -1.7764 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 0.3250 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 0.9833 -3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7488 2.2254 -3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3681 1.6900 -2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 0.1578 -5.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8582 -1.1258 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0681 0.1332 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6762 -0.0897 4.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 -0.4038 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 1.9256 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 2.0798 1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4776 -1.7496 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7505 2.0597 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 1.6857 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 -2.0273 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -2.1734 0.2359 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 1 0 11 12 1 0 12 13 2 0 12 14 1 0 9 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 15 21 2 0 2 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 3 28 30 1 0 27 31 1 0 31 32 2 0 21 6 1 0 32 24 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 7 38 1 0 8 39 1 0 11 40 1 0 11 41 1 0 14 42 1 0 17 43 1 0 17 44 1 0 20 45 1 0 21 46 1 0 25 47 1 0 26 48 1 0 29 49 1 0 30 50 1 0 30 51 1 0 31 52 1 0 32 53 1 0 M END