HMDB0304789 RDKit 3D Threoninyl-Aspartate 30 29 0 0 0 0 0 0 0 0999 V2000 3.3758 1.3808 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 0.6150 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 -0.3112 1.8241 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -0.0876 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 -1.0708 -0.8953 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2882 -0.6791 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -1.6120 0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 -0.3377 -0.6923 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 -0.8651 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 0.2439 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 1.1406 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 0.9925 1.5806 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 2.2039 1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 -1.6727 -1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 -2.2492 -1.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -1.7932 -2.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 1.7538 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 0.7515 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 2.2272 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 1.3320 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 -0.6861 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 0.6907 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 -1.4828 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -0.5986 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 -1.2581 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 -1.4825 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 0.8583 -1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1141 -0.1678 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3942 3.1554 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 -0.9910 -3.0942 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 1 0 6 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 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 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 13 29 1 0 16 30 1 0 M END