HMDB0259345 RDKit 3D Tyr-pro-leu-gly-NH2 65 66 0 0 0 0 0 0 0 0999 V2000 -5.0834 1.9955 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6937 0.7167 1.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0481 1.0812 2.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -0.2516 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 0.1383 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 0.5108 1.0658 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.1583 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 -1.1586 0.3583 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 0.2607 2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3157 -0.0075 3.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -1.4954 3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 -1.7785 2.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 -0.6308 1.8533 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 -0.5434 0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 -1.4758 0.9502 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 0.5270 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 1.5594 0.0673 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 0.0523 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 -0.9476 -1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 -2.2945 -1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 -3.2187 -1.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -2.8030 -2.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 -3.7377 -2.5475 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4009 -1.4492 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4009 -0.5310 -2.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 1.1395 -0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 2.1504 -1.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 0.9657 -1.8984 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0381 1.9441 -2.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7913 2.0553 -3.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 1.2673 -3.4835 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 2.8528 -4.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 2.5952 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 1.8099 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2053 2.6433 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6882 0.2328 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6481 2.1387 2.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 0.3698 3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 1.1242 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7913 -1.1686 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6732 -0.5918 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 -0.7790 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 1.3266 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.3418 1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 0.4357 4.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 0.3947 3.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 -1.9475 3.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.8849 4.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -2.7236 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5335 -1.8573 3.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 1.0001 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 1.4987 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 2.5152 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -0.3830 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 0.9104 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.6575 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7114 -4.2811 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 -4.1084 -3.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4049 -1.1529 -2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 0.5226 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5583 0.1573 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8606 1.6926 -3.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2037 2.9756 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 1.5733 -3.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 0.3308 -3.0557 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 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 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 5 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 13 9 1 0 25 19 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 20 56 1 0 21 57 1 0 23 58 1 0 24 59 1 0 25 60 1 0 28 61 1 0 29 62 1 0 29 63 1 0 31 64 1 0 31 65 1 0 M END