HMDB0028700 RDKit 3D Alanylvaline 29 28 0 0 0 0 0 0 0 0999 V2000 -1.4225 1.3635 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 0.3959 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 -0.0451 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 -0.8130 -0.1094 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4350 -0.3340 -0.3575 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 -0.5460 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -1.1422 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 -0.0668 0.3756 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1632 0.8726 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 0.5851 -0.9062 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -1.7373 -1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -1.9820 -2.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -2.3206 -1.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 1.1927 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 1.3668 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 2.3954 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7894 0.9190 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -0.9493 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -0.3209 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 0.7756 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -1.3202 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6763 0.1640 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 -0.9499 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9218 1.6195 1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 0.2509 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 1.3503 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 1.6176 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 0.2257 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 -2.5672 -2.0179 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 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 4 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 1 5 22 1 0 8 23 1 6 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 13 29 1 0 M END