HMDB0029064 RDKit 3D Threonylisoleucine 36 35 0 0 0 0 0 0 0 0999 V2000 -4.2529 1.1313 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0989 0.1502 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 0.4149 0.2626 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4167 0.2960 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -0.3345 0.6312 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2996 -0.0505 -0.3373 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 0.6516 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 1.0200 1.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5477 0.9467 -0.9089 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5966 1.7160 -0.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -0.3352 -1.3746 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7495 -1.0178 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -1.1124 -2.0356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -1.7798 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -2.6357 0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -2.2817 1.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 1.4977 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0865 2.0000 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 0.5855 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7153 0.2569 2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 -0.8940 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 1.5154 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 1.2877 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -0.3395 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -0.0774 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 0.0901 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.3620 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 1.5626 -1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 2.3666 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 2.2717 -0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 -0.0527 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6271 -1.6415 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 -1.6143 0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -0.2159 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -2.0016 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 -3.0143 2.4021 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 9 11 1 0 11 12 1 0 11 13 1 0 5 14 1 0 14 15 2 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 6 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 1 6 27 1 0 9 28 1 6 10 29 1 0 10 30 1 0 11 31 1 6 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 16 36 1 0 M END