HMDB0304791 RDKit 3D Threoninyl-Valine 33 32 0 0 0 0 0 0 0 0999 V2000 3.8985 0.0969 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 -0.1961 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.6759 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 0.1209 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 -0.2129 0.2459 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -0.4500 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -0.3812 -1.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.7937 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -0.8425 1.2578 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0799 0.2465 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 1.6260 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -0.0555 -0.4698 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 1.5300 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 1.9418 -1.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 2.4053 -0.6343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 1.1201 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 -0.1055 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 -0.5993 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 0.3545 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -1.8368 2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 -2.1908 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -2.1895 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7121 -0.5280 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -1.2224 -2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 -1.7825 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 -1.2433 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 -1.4728 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 0.2212 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 2.3499 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 1.6034 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 2.0405 0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5945 -1.0201 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 3.1417 -1.3322 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 10 12 1 0 4 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 15 33 1 0 M END