HMDB0253029 RDKit 3D H-Ser-Leu-Ile-Gly-Arg-Leu-OH 101100 0 0 0 0 0 0 0 0999 V2000 -3.1608 0.8518 4.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 0.3288 3.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 1.3588 2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 2.6552 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 0.8134 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6089 -0.2185 0.8948 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8484 -0.0767 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9629 1.0505 -0.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9567 -1.0112 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9265 -2.1932 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8979 -3.2345 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4795 -2.7931 -0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2032 -4.2868 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1183 -0.2218 -0.3691 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1223 0.1500 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0182 -0.1854 1.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3269 0.9276 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1513 1.1320 1.3189 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9456 2.2399 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1601 2.0720 -1.6231 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 0.4806 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -0.2105 -0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 0.8124 0.4388 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 0.4073 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 0.8910 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 1.5357 1.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 0.6496 -0.5281 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 1.1197 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 2.2198 -0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6568 1.6698 -2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1976 2.7348 -3.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4248 3.3107 -2.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5641 2.7189 -2.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 3.3287 -2.3549 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6135 1.3835 -3.2898 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -0.0027 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 -1.1260 -0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1218 0.1050 0.5133 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 -1.0520 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1686 -1.6438 1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0716 -2.8283 1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -2.6292 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 -3.5551 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3095 -0.5306 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7237 0.5826 0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 -1.2183 -0.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 0.6287 5.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 1.9388 4.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5119 0.2366 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5838 -0.5504 3.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 0.1322 3.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4462 1.6231 2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4179 3.0780 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 2.6172 3.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 3.4593 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0539 1.6694 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -1.0860 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2526 -1.2741 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9821 -1.8617 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9278 -2.7202 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9551 -3.7929 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 -2.8375 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9738 -3.4620 -1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5413 -1.8179 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3921 -5.0103 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3805 -3.7279 -2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1747 -4.7447 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1534 0.0211 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9277 0.3529 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4769 0.2035 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5619 1.5313 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3796 2.8949 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8278 2.8248 -0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7402 2.9115 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 1.3536 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 0.8153 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -0.7155 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 0.1292 -1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.5372 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7197 3.0801 -0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 2.5891 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3973 0.8483 -2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 1.3106 -2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4232 3.5339 -3.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 2.2597 -4.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2891 4.0072 -2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 3.1463 -1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2135 0.6389 -2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0353 1.0802 -4.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 0.9836 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5828 -1.8502 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -1.9253 2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 -0.8456 2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -3.6145 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 -3.1392 2.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8325 -3.1895 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8707 -1.5967 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0041 -2.8480 4.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7702 -4.3107 3.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0012 -4.1258 3.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9428 -0.9022 -1.3537 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 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 5 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 3 33 34 1 0 33 35 1 0 28 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 39 44 1 0 44 45 2 0 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 6 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 27 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 38 90 1 0 39 91 1 0 40 92 1 0 40 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 42 97 1 0 43 98 1 0 43 99 1 0 43100 1 0 46101 1 0 M END