COMPND HMDB0032793 HETATM 1 O1 UNL 1 -1.446 1.448 1.976 1.00 0.00 O HETATM 2 C1 UNL 1 -2.198 1.512 0.972 1.00 0.00 C HETATM 3 O2 UNL 1 -2.152 0.440 0.132 1.00 0.00 O HETATM 4 C2 UNL 1 -1.355 -0.667 0.334 1.00 0.00 C HETATM 5 C3 UNL 1 -0.130 -0.613 -0.632 1.00 0.00 C HETATM 6 C4 UNL 1 -0.554 -0.978 -1.997 1.00 0.00 C HETATM 7 C5 UNL 1 0.241 -0.565 -3.070 1.00 0.00 C HETATM 8 O3 UNL 1 1.407 0.157 -2.858 1.00 0.00 O HETATM 9 C6 UNL 1 -0.123 -0.867 -4.351 1.00 0.00 C HETATM 10 C7 UNL 1 -1.275 -1.579 -4.589 1.00 0.00 C HETATM 11 O4 UNL 1 -1.577 -1.847 -5.913 1.00 0.00 O HETATM 12 C8 UNL 1 -2.058 -1.984 -3.531 1.00 0.00 C HETATM 13 C9 UNL 1 -1.702 -1.684 -2.208 1.00 0.00 C HETATM 14 O5 UNL 1 -2.509 -2.101 -1.198 1.00 0.00 O HETATM 15 C10 UNL 1 -1.978 -1.983 0.154 1.00 0.00 C HETATM 16 C11 UNL 1 -2.983 -2.394 1.128 1.00 0.00 C HETATM 17 C12 UNL 1 -4.284 -1.905 1.041 1.00 0.00 C HETATM 18 C13 UNL 1 -5.285 -2.268 1.905 1.00 0.00 C HETATM 19 C14 UNL 1 -5.038 -3.160 2.934 1.00 0.00 C HETATM 20 O6 UNL 1 -6.079 -3.523 3.812 1.00 0.00 O HETATM 21 C15 UNL 1 -3.764 -3.665 3.056 1.00 0.00 C HETATM 22 C16 UNL 1 -2.754 -3.292 2.173 1.00 0.00 C HETATM 23 O7 UNL 1 -1.000 -3.007 0.135 1.00 0.00 O HETATM 24 C17 UNL 1 0.347 -2.817 0.297 1.00 0.00 C HETATM 25 C18 UNL 1 1.210 -3.746 0.800 1.00 0.00 C HETATM 26 C19 UNL 1 2.552 -3.443 0.931 1.00 0.00 C HETATM 27 O8 UNL 1 3.447 -4.396 1.449 1.00 0.00 O HETATM 28 C20 UNL 1 3.055 -2.217 0.566 1.00 0.00 C HETATM 29 C21 UNL 1 2.170 -1.278 0.056 1.00 0.00 C HETATM 30 C22 UNL 1 0.818 -1.579 -0.082 1.00 0.00 C HETATM 31 O9 UNL 1 2.680 -0.026 -0.304 1.00 0.00 O HETATM 32 C23 UNL 1 3.643 0.557 0.595 1.00 0.00 C HETATM 33 C24 UNL 1 4.278 1.744 0.018 1.00 0.00 C HETATM 34 C25 UNL 1 4.781 1.730 -1.258 1.00 0.00 C HETATM 35 C26 UNL 1 5.377 2.870 -1.812 1.00 0.00 C HETATM 36 C27 UNL 1 5.459 4.033 -1.058 1.00 0.00 C HETATM 37 O10 UNL 1 6.042 5.194 -1.565 1.00 0.00 O HETATM 38 C28 UNL 1 4.962 4.065 0.210 1.00 0.00 C HETATM 39 C29 UNL 1 4.386 2.925 0.716 1.00 0.00 C HETATM 40 C30 UNL 1 4.570 -0.435 1.203 1.00 0.00 C HETATM 41 O11 UNL 1 4.466 -0.531 2.600 1.00 0.00 O HETATM 42 C31 UNL 1 4.477 -1.828 0.673 1.00 0.00 C HETATM 43 C32 UNL 1 -3.034 2.677 0.773 1.00 0.00 C HETATM 44 C33 UNL 1 -3.934 2.765 -0.251 1.00 0.00 C HETATM 45 C34 UNL 1 -4.693 3.930 -0.424 1.00 0.00 C HETATM 46 C35 UNL 1 -4.557 4.997 0.409 1.00 0.00 C HETATM 47 O12 UNL 1 -5.277 6.166 0.275 1.00 0.00 O HETATM 48 C36 UNL 1 -3.651 4.915 1.442 1.00 0.00 C HETATM 49 C37 UNL 1 -2.889 3.752 1.623 1.00 0.00 C HETATM 50 H1 UNL 1 -0.863 -0.585 1.309 1.00 0.00 H HETATM 51 H2 UNL 1 0.291 0.418 -0.592 1.00 0.00 H HETATM 52 H3 UNL 1 2.002 0.473 -3.610 1.00 0.00 H HETATM 53 H4 UNL 1 0.524 -0.531 -5.168 1.00 0.00 H HETATM 54 H5 UNL 1 -2.407 -2.364 -6.175 1.00 0.00 H HETATM 55 H6 UNL 1 -2.962 -2.542 -3.695 1.00 0.00 H HETATM 56 H7 UNL 1 -4.475 -1.187 0.229 1.00 0.00 H HETATM 57 H8 UNL 1 -6.302 -1.870 1.817 1.00 0.00 H HETATM 58 H9 UNL 1 -6.635 -4.351 3.529 1.00 0.00 H HETATM 59 H10 UNL 1 -3.558 -4.360 3.850 1.00 0.00 H HETATM 60 H11 UNL 1 -1.732 -3.700 2.277 1.00 0.00 H HETATM 61 H12 UNL 1 0.844 -4.742 1.098 1.00 0.00 H HETATM 62 H13 UNL 1 3.101 -5.284 1.713 1.00 0.00 H HETATM 63 H14 UNL 1 3.020 0.947 1.463 1.00 0.00 H HETATM 64 H15 UNL 1 4.738 0.841 -1.885 1.00 0.00 H HETATM 65 H16 UNL 1 5.778 2.907 -2.797 1.00 0.00 H HETATM 66 H17 UNL 1 7.030 5.350 -1.434 1.00 0.00 H HETATM 67 H18 UNL 1 5.041 4.984 0.769 1.00 0.00 H HETATM 68 H19 UNL 1 3.991 2.947 1.719 1.00 0.00 H HETATM 69 H20 UNL 1 5.612 -0.085 0.977 1.00 0.00 H HETATM 70 H21 UNL 1 5.324 -0.766 2.996 1.00 0.00 H HETATM 71 H22 UNL 1 4.917 -1.953 -0.346 1.00 0.00 H HETATM 72 H23 UNL 1 5.024 -2.478 1.401 1.00 0.00 H HETATM 73 H24 UNL 1 -4.110 1.977 -0.960 1.00 0.00 H HETATM 74 H25 UNL 1 -5.405 3.995 -1.238 1.00 0.00 H HETATM 75 H26 UNL 1 -5.162 6.936 0.886 1.00 0.00 H HETATM 76 H27 UNL 1 -3.516 5.740 2.123 1.00 0.00 H HETATM 77 H28 UNL 1 -2.198 3.785 2.455 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 43 CONECT 3 4 CONECT 4 5 15 50 CONECT 5 6 30 51 CONECT 6 7 7 13 CONECT 7 8 9 CONECT 8 52 CONECT 9 10 10 53 CONECT 10 11 12 CONECT 11 54 CONECT 12 13 13 55 CONECT 13 14 CONECT 14 15 CONECT 15 16 23 CONECT 16 17 17 22 CONECT 17 18 56 CONECT 18 19 19 57 CONECT 19 20 21 CONECT 20 58 CONECT 21 22 22 59 CONECT 22 60 CONECT 23 24 CONECT 24 25 25 30 CONECT 25 26 61 CONECT 26 27 28 28 CONECT 27 62 CONECT 28 29 42 CONECT 29 30 30 31 CONECT 31 32 CONECT 32 33 40 63 CONECT 33 34 34 39 CONECT 34 35 64 CONECT 35 36 36 65 CONECT 36 37 38 CONECT 37 66 CONECT 38 39 39 67 CONECT 39 68 CONECT 40 41 42 69 CONECT 41 70 CONECT 42 71 72 CONECT 43 44 44 49 CONECT 44 45 73 CONECT 45 46 46 74 CONECT 46 47 48 CONECT 47 75 CONECT 48 49 49 76 CONECT 49 77 END