COMPND HMDB0041289 HETATM 1 C1 UNL 1 -1.931 -1.932 4.918 1.00 0.00 C HETATM 2 O1 UNL 1 -0.652 -1.598 4.414 1.00 0.00 O HETATM 3 C2 UNL 1 -0.496 -1.085 3.131 1.00 0.00 C HETATM 4 C3 UNL 1 -1.607 -0.899 2.339 1.00 0.00 C HETATM 5 C4 UNL 1 -1.495 -0.391 1.057 1.00 0.00 C HETATM 6 O2 UNL 1 -2.594 -0.208 0.280 1.00 0.00 O HETATM 7 C5 UNL 1 -3.931 -0.476 0.504 1.00 0.00 C HETATM 8 O3 UNL 1 -4.388 -1.311 -0.459 1.00 0.00 O HETATM 9 C6 UNL 1 -5.342 -0.939 -1.327 1.00 0.00 C HETATM 10 C7 UNL 1 -6.611 -1.727 -0.995 1.00 0.00 C HETATM 11 O4 UNL 1 -7.656 -1.414 -1.833 1.00 0.00 O HETATM 12 C8 UNL 1 -5.578 0.495 -1.556 1.00 0.00 C HETATM 13 O5 UNL 1 -6.955 0.814 -1.657 1.00 0.00 O HETATM 14 C9 UNL 1 -5.005 1.429 -0.535 1.00 0.00 C HETATM 15 O6 UNL 1 -3.834 2.073 -0.988 1.00 0.00 O HETATM 16 C10 UNL 1 -4.823 0.695 0.737 1.00 0.00 C HETATM 17 O7 UNL 1 -4.427 1.492 1.802 1.00 0.00 O HETATM 18 C11 UNL 1 -0.205 -0.074 0.598 1.00 0.00 C HETATM 19 C12 UNL 1 -0.066 0.432 -0.672 1.00 0.00 C HETATM 20 O8 UNL 1 -1.196 0.602 -1.440 1.00 0.00 O HETATM 21 C13 UNL 1 -1.617 -0.463 -2.269 1.00 0.00 C HETATM 22 C14 UNL 1 1.204 0.746 -1.123 1.00 0.00 C HETATM 23 C15 UNL 1 1.396 1.284 -2.460 1.00 0.00 C HETATM 24 C16 UNL 1 1.636 0.397 -3.613 1.00 0.00 C HETATM 25 O9 UNL 1 1.358 2.520 -2.632 1.00 0.00 O HETATM 26 C17 UNL 1 2.337 0.566 -0.332 1.00 0.00 C HETATM 27 O10 UNL 1 3.573 0.897 -0.834 1.00 0.00 O HETATM 28 C18 UNL 1 4.797 0.787 -0.195 1.00 0.00 C HETATM 29 O11 UNL 1 5.372 2.071 -0.121 1.00 0.00 O HETATM 30 C19 UNL 1 6.707 1.830 0.257 1.00 0.00 C HETATM 31 C20 UNL 1 7.123 0.635 -0.540 1.00 0.00 C HETATM 32 O12 UNL 1 7.895 1.070 -1.631 1.00 0.00 O HETATM 33 C21 UNL 1 7.977 -0.337 0.246 1.00 0.00 C HETATM 34 O13 UNL 1 9.114 0.352 0.664 1.00 0.00 O HETATM 35 C22 UNL 1 5.825 0.012 -0.990 1.00 0.00 C HETATM 36 O14 UNL 1 5.836 -1.339 -0.694 1.00 0.00 O HETATM 37 C23 UNL 1 2.155 0.059 0.926 1.00 0.00 C HETATM 38 C24 UNL 1 0.897 -0.267 1.409 1.00 0.00 C HETATM 39 C25 UNL 1 0.784 -0.772 2.684 1.00 0.00 C HETATM 40 H1 UNL 1 -2.573 -1.028 4.928 1.00 0.00 H HETATM 41 H2 UNL 1 -1.891 -2.447 5.878 1.00 0.00 H HETATM 42 H3 UNL 1 -2.397 -2.661 4.194 1.00 0.00 H HETATM 43 H4 UNL 1 -2.554 -1.179 2.803 1.00 0.00 H HETATM 44 H5 UNL 1 -3.967 -1.054 1.490 1.00 0.00 H HETATM 45 H6 UNL 1 -5.042 -1.377 -2.334 1.00 0.00 H HETATM 46 H7 UNL 1 -6.426 -2.828 -1.119 1.00 0.00 H HETATM 47 H8 UNL 1 -6.916 -1.609 0.064 1.00 0.00 H HETATM 48 H9 UNL 1 -8.427 -0.989 -1.392 1.00 0.00 H HETATM 49 H10 UNL 1 -5.168 0.853 -2.549 1.00 0.00 H HETATM 50 H11 UNL 1 -7.035 1.689 -2.083 1.00 0.00 H HETATM 51 H12 UNL 1 -5.702 2.296 -0.334 1.00 0.00 H HETATM 52 H13 UNL 1 -4.019 2.841 -1.554 1.00 0.00 H HETATM 53 H14 UNL 1 -5.828 0.294 1.025 1.00 0.00 H HETATM 54 H15 UNL 1 -4.393 0.900 2.602 1.00 0.00 H HETATM 55 H16 UNL 1 -2.718 -0.437 -2.447 1.00 0.00 H HETATM 56 H17 UNL 1 -1.099 -0.403 -3.264 1.00 0.00 H HETATM 57 H18 UNL 1 -1.395 -1.464 -1.848 1.00 0.00 H HETATM 58 H19 UNL 1 1.065 0.723 -4.482 1.00 0.00 H HETATM 59 H20 UNL 1 1.344 -0.659 -3.402 1.00 0.00 H HETATM 60 H21 UNL 1 2.715 0.352 -3.886 1.00 0.00 H HETATM 61 H22 UNL 1 4.806 0.395 0.819 1.00 0.00 H HETATM 62 H23 UNL 1 6.786 1.690 1.351 1.00 0.00 H HETATM 63 H24 UNL 1 7.330 2.696 -0.004 1.00 0.00 H HETATM 64 H25 UNL 1 7.760 0.425 -2.352 1.00 0.00 H HETATM 65 H26 UNL 1 7.454 -0.773 1.100 1.00 0.00 H HETATM 66 H27 UNL 1 8.234 -1.161 -0.478 1.00 0.00 H HETATM 67 H28 UNL 1 8.807 1.272 0.900 1.00 0.00 H HETATM 68 H29 UNL 1 5.699 0.174 -2.091 1.00 0.00 H HETATM 69 H30 UNL 1 5.319 -1.534 0.109 1.00 0.00 H HETATM 70 H31 UNL 1 3.014 -0.106 1.597 1.00 0.00 H HETATM 71 H32 UNL 1 1.642 -0.919 3.305 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 CONECT 3 4 4 39 CONECT 4 5 43 CONECT 5 6 18 18 CONECT 6 7 CONECT 7 8 16 44 CONECT 8 9 CONECT 9 10 12 45 CONECT 10 11 46 47 CONECT 11 48 CONECT 12 13 14 49 CONECT 13 50 CONECT 14 15 16 51 CONECT 15 52 CONECT 16 17 53 CONECT 17 54 CONECT 18 19 38 CONECT 19 20 22 22 CONECT 20 21 CONECT 21 55 56 57 CONECT 22 23 26 CONECT 23 24 25 25 CONECT 24 58 59 60 CONECT 26 27 37 37 CONECT 27 28 CONECT 28 29 35 61 CONECT 29 30 CONECT 30 31 62 63 CONECT 31 32 33 35 CONECT 32 64 CONECT 33 34 65 66 CONECT 34 67 CONECT 35 36 68 CONECT 36 69 CONECT 37 38 70 CONECT 38 39 39 CONECT 39 71 END