HMDB0029118 RDKit 3D Tyrosyl-Valine 40 40 0 0 0 0 0 0 0 0999 V2000 -3.3987 0.7617 1.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 0.3215 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1132 1.5098 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -0.7056 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6938 -0.2434 -0.3072 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -1.0196 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 -2.4099 -0.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -0.4707 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 0.9750 -0.7173 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -0.8010 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9696 -0.2557 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 -1.0152 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2131 -0.5309 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5631 0.7299 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8478 1.2353 -0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 1.5101 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 1.0036 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 -1.0789 -1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 -0.9832 -2.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9862 -1.5527 -1.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 0.3887 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 0.4161 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 1.8790 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9152 -0.1405 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 1.1183 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1581 1.9789 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7889 2.2152 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -1.6196 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -2.8364 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -0.8051 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 1.4166 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4115 1.2830 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 -1.9245 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -0.5025 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -2.0060 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -1.1636 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0735 1.7467 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9299 2.4972 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 1.6276 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1821 -2.5491 -1.3643 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 2 3 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 4 18 1 0 18 19 2 0 18 20 1 0 17 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 20 40 1 0 M END