HMDB0028917 RDKit 3D Isoleucyl-Threonine 36 35 0 0 0 0 0 0 0 0999 V2000 3.6829 1.1617 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 1.3648 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 0.0882 0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 -0.7050 1.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5137 -0.7392 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 -1.9714 0.7002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -0.0104 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 1.0795 -0.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -0.4914 0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 0.2067 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 0.6319 1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 0.3850 2.5368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 1.3232 1.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -0.5567 -0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 0.0893 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 -0.7983 -1.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 2.1067 -1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 0.3756 -1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 0.8183 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 1.8539 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 2.0980 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 0.3285 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 -0.1655 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5007 -1.7054 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 -0.8816 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -1.0492 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -1.8204 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -2.5907 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 -1.4089 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 1.1435 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0687 2.2851 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 -1.5570 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 -0.1970 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3004 -0.2589 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4809 1.1897 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -1.6229 -2.3107 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 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 9 29 1 0 10 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 M END