COMPND HMDB0036630 HETATM 1 O1 UNL 1 -4.342 -2.096 2.184 1.00 0.00 O HETATM 2 C1 UNL 1 -5.435 -1.334 2.598 1.00 0.00 C HETATM 3 C2 UNL 1 -5.457 -0.101 1.680 1.00 0.00 C HETATM 4 O2 UNL 1 -4.262 0.540 1.872 1.00 0.00 O HETATM 5 C3 UNL 1 -3.715 1.142 0.754 1.00 0.00 C HETATM 6 O3 UNL 1 -2.763 0.297 0.225 1.00 0.00 O HETATM 7 C4 UNL 1 -1.430 0.419 0.074 1.00 0.00 C HETATM 8 C5 UNL 1 -0.768 1.551 0.478 1.00 0.00 C HETATM 9 C6 UNL 1 0.609 1.667 0.317 1.00 0.00 C HETATM 10 C7 UNL 1 1.354 0.639 -0.258 1.00 0.00 C HETATM 11 C8 UNL 1 0.690 -0.498 -0.664 1.00 0.00 C HETATM 12 C9 UNL 1 -0.681 -0.582 -0.490 1.00 0.00 C HETATM 13 O4 UNL 1 1.425 -1.516 -1.234 1.00 0.00 O HETATM 14 C10 UNL 1 2.753 -1.455 -1.660 1.00 0.00 C HETATM 15 C11 UNL 1 3.371 -0.079 -1.560 1.00 0.00 C HETATM 16 C12 UNL 1 4.777 -0.297 -1.126 1.00 0.00 C HETATM 17 C13 UNL 1 5.975 -0.588 -1.732 1.00 0.00 C HETATM 18 C14 UNL 1 7.146 -0.741 -1.026 1.00 0.00 C HETATM 19 C15 UNL 1 7.165 -0.606 0.347 1.00 0.00 C HETATM 20 C16 UNL 1 5.966 -0.314 0.962 1.00 0.00 C HETATM 21 C17 UNL 1 4.788 -0.160 0.245 1.00 0.00 C HETATM 22 O5 UNL 1 3.477 0.137 0.681 1.00 0.00 O HETATM 23 C18 UNL 1 2.800 0.731 -0.443 1.00 0.00 C HETATM 24 O6 UNL 1 8.460 -0.807 0.820 1.00 0.00 O HETATM 25 C19 UNL 1 9.287 -1.031 -0.290 1.00 0.00 C HETATM 26 O7 UNL 1 8.434 -1.031 -1.443 1.00 0.00 O HETATM 27 C20 UNL 1 -4.772 1.577 -0.238 1.00 0.00 C HETATM 28 O8 UNL 1 -4.211 2.346 -1.243 1.00 0.00 O HETATM 29 C21 UNL 1 -5.549 0.408 -0.784 1.00 0.00 C HETATM 30 O9 UNL 1 -6.826 0.878 -1.168 1.00 0.00 O HETATM 31 C22 UNL 1 -5.650 -0.642 0.272 1.00 0.00 C HETATM 32 O10 UNL 1 -6.968 -1.151 0.217 1.00 0.00 O HETATM 33 H1 UNL 1 -3.540 -1.910 2.737 1.00 0.00 H HETATM 34 H2 UNL 1 -5.211 -0.961 3.607 1.00 0.00 H HETATM 35 H3 UNL 1 -6.388 -1.891 2.531 1.00 0.00 H HETATM 36 H4 UNL 1 -6.341 0.491 1.999 1.00 0.00 H HETATM 37 H5 UNL 1 -3.225 2.073 1.108 1.00 0.00 H HETATM 38 H6 UNL 1 -1.249 2.404 0.935 1.00 0.00 H HETATM 39 H7 UNL 1 1.136 2.564 0.638 1.00 0.00 H HETATM 40 H8 UNL 1 -1.179 -1.484 -0.818 1.00 0.00 H HETATM 41 H9 UNL 1 2.916 -1.835 -2.700 1.00 0.00 H HETATM 42 H10 UNL 1 3.316 -2.195 -1.014 1.00 0.00 H HETATM 43 H11 UNL 1 3.324 0.477 -2.524 1.00 0.00 H HETATM 44 H12 UNL 1 5.956 -0.695 -2.817 1.00 0.00 H HETATM 45 H13 UNL 1 6.003 -0.211 2.050 1.00 0.00 H HETATM 46 H14 UNL 1 3.162 1.780 -0.573 1.00 0.00 H HETATM 47 H15 UNL 1 9.872 -1.960 -0.236 1.00 0.00 H HETATM 48 H16 UNL 1 9.991 -0.167 -0.455 1.00 0.00 H HETATM 49 H17 UNL 1 -5.505 2.228 0.292 1.00 0.00 H HETATM 50 H18 UNL 1 -4.175 3.314 -1.033 1.00 0.00 H HETATM 51 H19 UNL 1 -5.107 -0.019 -1.709 1.00 0.00 H HETATM 52 H20 UNL 1 -6.841 1.868 -1.155 1.00 0.00 H HETATM 53 H21 UNL 1 -4.983 -1.484 0.057 1.00 0.00 H HETATM 54 H22 UNL 1 -7.583 -0.539 0.714 1.00 0.00 H CONECT 1 2 33 CONECT 2 3 34 35 CONECT 3 4 31 36 CONECT 4 5 CONECT 5 6 27 37 CONECT 6 7 CONECT 7 8 8 12 CONECT 8 9 38 CONECT 9 10 10 39 CONECT 10 11 23 CONECT 11 12 12 13 CONECT 12 40 CONECT 13 14 CONECT 14 15 41 42 CONECT 15 16 23 43 CONECT 16 17 17 21 CONECT 17 18 44 CONECT 18 19 19 26 CONECT 19 20 24 CONECT 20 21 21 45 CONECT 21 22 CONECT 22 23 CONECT 23 46 CONECT 24 25 CONECT 25 26 47 48 CONECT 27 28 29 49 CONECT 28 50 CONECT 29 30 31 51 CONECT 30 52 CONECT 31 32 53 CONECT 32 54 END