HMDB0003577 RDKit 3D VPGPR Enterostatin 77 78 0 0 0 0 0 0 0 0999 V2000 5.3756 1.0121 -2.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5788 -0.2248 -1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 -1.3317 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 0.0124 -1.2906 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3827 0.8105 -2.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 0.6194 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 0.0475 0.9435 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 1.8413 0.3658 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 2.6256 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 3.8797 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 3.4474 1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 2.4767 1.6584 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4362 1.5940 2.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.9422 3.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 0.2807 2.7965 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 -0.5181 3.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 -1.8022 3.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -2.4532 5.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 -2.5451 2.9169 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -3.9007 3.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 -4.6249 2.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -3.6910 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -2.3348 1.5488 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1951 -1.6148 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 -1.1672 2.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 -1.4396 0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 -0.7335 0.2512 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1377 0.3751 -0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 1.1743 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 2.2547 -1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 1.6118 -3.1129 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9697 1.1717 -3.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7135 0.5359 -5.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3111 1.3220 -3.3379 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 -1.7492 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -2.9176 -0.3698 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5009 -1.4500 -0.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 1.3993 -3.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2286 1.7864 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4635 0.7223 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -0.6491 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1717 -1.6020 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 -2.2097 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6483 -1.0262 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -0.9931 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 0.3131 -2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 1.1687 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8405 2.1036 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 2.9477 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 4.2905 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 4.6191 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 4.2549 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 2.8345 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 3.1343 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 0.0441 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.0434 4.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8354 -0.7012 4.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8095 -4.3856 3.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 -3.8006 3.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -5.5323 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 -5.0884 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 -4.0118 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.6882 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 -1.8239 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 -1.7669 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3181 -0.3118 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 -0.0717 -1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 1.1110 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 1.6565 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 0.5502 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0832 2.9232 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2675 2.8061 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 0.3617 -5.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 0.2253 -5.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9807 0.5161 -3.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6469 2.2062 -2.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0749 -1.8880 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 3 32 33 1 0 32 34 1 0 27 35 1 0 35 36 2 0 35 37 1 0 12 8 1 0 23 19 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 3 44 1 0 4 45 1 1 5 46 1 0 5 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 1 15 55 1 0 16 56 1 0 16 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 6 26 65 1 0 27 66 1 1 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 30 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 34 76 1 0 37 77 1 0 M END