HMDB0033241 RDKit 3D Glycylalanylprolylmethionylphenylalanylvalinamide 88 89 0 0 0 0 0 0 0 0999 V2000 0.6853 -5.7517 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 -5.2033 -2.6341 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -3.5653 -2.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 -2.6183 -1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 -1.2300 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 -1.0753 -1.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -0.2966 -2.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9326 0.2871 -3.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 -0.1102 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6496 -0.5046 -2.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0902 -1.9288 -2.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -2.2225 -1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 -0.9111 -0.6331 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 -0.5349 0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 -1.3718 1.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 0.8320 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4919 1.1460 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 0.9518 2.6247 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2039 1.9145 3.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 2.6682 2.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5343 2.0625 4.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 3.1284 4.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 -0.3405 -1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 0.4350 -0.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -0.3277 -1.4001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 0.5636 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 1.3966 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 2.4009 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 3.6608 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 4.6279 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 4.3321 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1693 3.0815 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 2.1157 -1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 -0.1980 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -1.4699 0.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1113 0.3858 1.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0149 -0.3361 1.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7913 0.1172 3.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5265 -0.3733 4.3709 N 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 3.1398 1.7936 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 1.7430 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 0.2096 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 0.2946 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6473 2.3612 5.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9763 1.1225 4.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 2.6911 4.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 3.7219 3.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 -0.9668 -2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 1.2091 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 1.9596 -2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 0.7301 -2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 3.9474 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 5.6111 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5638 5.0610 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2298 2.8732 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5943 1.1658 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 1.4272 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6844 -1.4160 1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -0.0907 4.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0346 -1.0323 5.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9676 -1.0450 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9344 -2.0010 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 -0.8643 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3786 -0.4131 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6124 1.2352 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5731 1.8400 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0337 0.8959 2.1653 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 1 0 5 6 1 0 6 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 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 5 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 26 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 2 0 37 41 1 0 41 42 1 0 41 43 1 0 13 9 1 0 33 28 1 0 1 44 1 0 1 45 1 0 1 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 6 52 1 0 9 53 1 0 10 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 17 63 1 0 18 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 25 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 29 73 1 0 30 74 1 0 31 75 1 0 32 76 1 0 33 77 1 0 36 78 1 0 37 79 1 0 39 80 1 0 39 81 1 0 41 82 1 0 42 83 1 0 42 84 1 0 42 85 1 0 43 86 1 0 43 87 1 0 43 88 1 0 M END