COMPND HMDB0038740 HETATM 1 O1 UNL 1 1.332 0.246 0.456 1.00 0.00 O HETATM 2 C1 UNL 1 1.464 -0.471 1.451 1.00 0.00 C HETATM 3 C2 UNL 1 2.656 -0.543 2.137 1.00 0.00 C HETATM 4 C3 UNL 1 3.835 0.211 1.745 1.00 0.00 C HETATM 5 C4 UNL 1 3.666 1.539 1.416 1.00 0.00 C HETATM 6 C5 UNL 1 4.693 2.352 1.033 1.00 0.00 C HETATM 7 C6 UNL 1 5.999 1.823 0.964 1.00 0.00 C HETATM 8 O2 UNL 1 6.985 2.597 0.597 1.00 0.00 O HETATM 9 C7 UNL 1 6.184 0.462 1.298 1.00 0.00 C HETATM 10 C8 UNL 1 5.102 -0.290 1.675 1.00 0.00 C HETATM 11 C9 UNL 1 2.666 -1.392 3.243 1.00 0.00 C HETATM 12 O3 UNL 1 1.648 -2.085 3.635 1.00 0.00 O HETATM 13 C10 UNL 1 0.489 -2.039 3.000 1.00 0.00 C HETATM 14 C11 UNL 1 -0.581 -2.797 3.450 1.00 0.00 C HETATM 15 C12 UNL 1 -1.771 -2.722 2.761 1.00 0.00 C HETATM 16 O4 UNL 1 -2.855 -3.475 3.198 1.00 0.00 O HETATM 17 C13 UNL 1 -1.926 -1.913 1.635 1.00 0.00 C HETATM 18 C14 UNL 1 -0.837 -1.180 1.226 1.00 0.00 C HETATM 19 O5 UNL 1 -0.915 -0.368 0.134 1.00 0.00 O HETATM 20 C15 UNL 1 -1.983 -0.116 -0.723 1.00 0.00 C HETATM 21 O6 UNL 1 -1.555 -0.467 -2.006 1.00 0.00 O HETATM 22 C16 UNL 1 -2.324 0.069 -3.008 1.00 0.00 C HETATM 23 C17 UNL 1 -2.508 -0.870 -4.178 1.00 0.00 C HETATM 24 O7 UNL 1 -3.300 -0.231 -5.134 1.00 0.00 O HETATM 25 C18 UNL 1 -3.693 0.501 -2.526 1.00 0.00 C HETATM 26 O8 UNL 1 -4.520 0.806 -3.602 1.00 0.00 O HETATM 27 C19 UNL 1 -3.591 1.627 -1.525 1.00 0.00 C HETATM 28 O9 UNL 1 -3.501 2.830 -2.200 1.00 0.00 O HETATM 29 C20 UNL 1 -2.378 1.348 -0.664 1.00 0.00 C HETATM 30 O10 UNL 1 -1.355 2.186 -1.101 1.00 0.00 O HETATM 31 C21 UNL 1 0.395 -1.229 1.902 1.00 0.00 C HETATM 32 H1 UNL 1 2.664 1.976 1.461 1.00 0.00 H HETATM 33 H2 UNL 1 4.565 3.401 0.772 1.00 0.00 H HETATM 34 H3 UNL 1 7.673 3.117 0.347 1.00 0.00 H HETATM 35 H4 UNL 1 7.196 0.075 1.239 1.00 0.00 H HETATM 36 H5 UNL 1 5.261 -1.334 1.929 1.00 0.00 H HETATM 37 H6 UNL 1 3.588 -1.477 3.811 1.00 0.00 H HETATM 38 H7 UNL 1 -0.445 -3.418 4.323 1.00 0.00 H HETATM 39 H8 UNL 1 -3.045 -4.418 2.880 1.00 0.00 H HETATM 40 H9 UNL 1 -2.895 -1.908 1.147 1.00 0.00 H HETATM 41 H10 UNL 1 -2.863 -0.693 -0.406 1.00 0.00 H HETATM 42 H11 UNL 1 -1.813 0.975 -3.394 1.00 0.00 H HETATM 43 H12 UNL 1 -1.525 -1.074 -4.681 1.00 0.00 H HETATM 44 H13 UNL 1 -3.001 -1.812 -3.911 1.00 0.00 H HETATM 45 H14 UNL 1 -2.851 0.620 -5.350 1.00 0.00 H HETATM 46 H15 UNL 1 -4.160 -0.365 -2.002 1.00 0.00 H HETATM 47 H16 UNL 1 -5.084 1.584 -3.295 1.00 0.00 H HETATM 48 H17 UNL 1 -4.502 1.579 -0.886 1.00 0.00 H HETATM 49 H18 UNL 1 -3.076 3.483 -1.590 1.00 0.00 H HETATM 50 H19 UNL 1 -2.602 1.644 0.380 1.00 0.00 H HETATM 51 H20 UNL 1 -0.606 1.637 -1.428 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 31 CONECT 3 4 11 11 CONECT 4 5 5 10 CONECT 5 6 32 CONECT 6 7 7 33 CONECT 7 8 9 CONECT 8 34 CONECT 9 10 10 35 CONECT 10 36 CONECT 11 12 37 CONECT 12 13 CONECT 13 14 14 31 CONECT 14 15 38 CONECT 15 16 17 17 CONECT 16 39 CONECT 17 18 40 CONECT 18 19 31 31 CONECT 19 20 CONECT 20 21 29 41 CONECT 21 22 CONECT 22 23 25 42 CONECT 23 24 43 44 CONECT 24 45 CONECT 25 26 27 46 CONECT 26 47 CONECT 27 28 29 48 CONECT 28 49 CONECT 29 30 50 CONECT 30 51 END