COMPND HMDB0015480 HETATM 1 C1 UNL 1 -6.344 4.725 0.067 1.00 0.00 C HETATM 2 C2 UNL 1 -5.449 4.015 -0.925 1.00 0.00 C HETATM 3 C3 UNL 1 -4.688 5.061 -1.696 1.00 0.00 C HETATM 4 C4 UNL 1 -4.498 3.100 -0.225 1.00 0.00 C HETATM 5 O1 UNL 1 -4.563 3.061 1.030 1.00 0.00 O HETATM 6 O2 UNL 1 -3.582 2.327 -0.931 1.00 0.00 O HETATM 7 C5 UNL 1 -2.735 1.499 -0.117 1.00 0.00 C HETATM 8 C6 UNL 1 -1.802 0.713 -0.927 1.00 0.00 C HETATM 9 O3 UNL 1 -1.884 0.839 -2.143 1.00 0.00 O HETATM 10 C7 UNL 1 -0.789 -0.199 -0.300 1.00 0.00 C HETATM 11 O4 UNL 1 -1.084 -0.300 1.062 1.00 0.00 O HETATM 12 C8 UNL 1 -1.093 -1.608 1.414 1.00 0.00 C HETATM 13 C9 UNL 1 -2.338 -2.074 2.188 1.00 0.00 C HETATM 14 C10 UNL 1 -2.058 -3.511 2.521 1.00 0.00 C HETATM 15 C11 UNL 1 -3.251 -4.387 2.653 1.00 0.00 C HETATM 16 C12 UNL 1 -3.961 -4.323 1.291 1.00 0.00 C HETATM 17 C13 UNL 1 -4.528 -2.923 1.225 1.00 0.00 C HETATM 18 C14 UNL 1 -3.523 -1.841 1.345 1.00 0.00 C HETATM 19 O5 UNL 1 -0.996 -2.393 0.293 1.00 0.00 O HETATM 20 C15 UNL 1 -0.839 -1.582 -0.828 1.00 0.00 C HETATM 21 C16 UNL 1 0.580 -1.925 -1.336 1.00 0.00 C HETATM 22 C17 UNL 1 1.398 -1.018 -0.508 1.00 0.00 C HETATM 23 C18 UNL 1 2.829 -0.803 -0.963 1.00 0.00 C HETATM 24 C19 UNL 1 3.580 -2.085 -0.721 1.00 0.00 C HETATM 25 C20 UNL 1 5.064 -1.979 -0.709 1.00 0.00 C HETATM 26 C21 UNL 1 5.591 -0.683 -0.196 1.00 0.00 C HETATM 27 C22 UNL 1 6.689 -0.740 0.528 1.00 0.00 C HETATM 28 C23 UNL 1 7.216 0.508 1.040 1.00 0.00 C HETATM 29 O6 UNL 1 8.263 0.522 1.738 1.00 0.00 O HETATM 30 C24 UNL 1 6.511 1.736 0.730 1.00 0.00 C HETATM 31 C25 UNL 1 5.423 1.730 0.003 1.00 0.00 C HETATM 32 C26 UNL 1 4.830 0.523 -0.555 1.00 0.00 C HETATM 33 C27 UNL 1 4.880 0.573 -2.100 1.00 0.00 C HETATM 34 C28 UNL 1 3.427 0.268 -0.083 1.00 0.00 C HETATM 35 C29 UNL 1 2.606 1.471 0.139 1.00 0.00 C HETATM 36 O7 UNL 1 2.727 2.479 -0.812 1.00 0.00 O HETATM 37 C30 UNL 1 1.176 1.153 0.500 1.00 0.00 C HETATM 38 C31 UNL 1 0.606 0.265 -0.570 1.00 0.00 C HETATM 39 C32 UNL 1 0.675 0.905 -1.930 1.00 0.00 C HETATM 40 H1 UNL 1 -6.734 5.679 -0.332 1.00 0.00 H HETATM 41 H2 UNL 1 -7.190 4.113 0.409 1.00 0.00 H HETATM 42 H3 UNL 1 -5.772 4.997 0.999 1.00 0.00 H HETATM 43 H4 UNL 1 -6.117 3.426 -1.594 1.00 0.00 H HETATM 44 H5 UNL 1 -3.594 4.920 -1.507 1.00 0.00 H HETATM 45 H6 UNL 1 -4.952 6.068 -1.375 1.00 0.00 H HETATM 46 H7 UNL 1 -4.858 4.874 -2.775 1.00 0.00 H HETATM 47 H8 UNL 1 -3.404 0.861 0.440 1.00 0.00 H HETATM 48 H9 UNL 1 -2.154 2.213 0.505 1.00 0.00 H HETATM 49 H10 UNL 1 -0.189 -1.818 2.059 1.00 0.00 H HETATM 50 H11 UNL 1 -2.335 -1.493 3.131 1.00 0.00 H HETATM 51 H12 UNL 1 -1.397 -3.966 1.752 1.00 0.00 H HETATM 52 H13 UNL 1 -1.482 -3.554 3.482 1.00 0.00 H HETATM 53 H14 UNL 1 -2.894 -5.434 2.738 1.00 0.00 H HETATM 54 H15 UNL 1 -3.957 -4.096 3.443 1.00 0.00 H HETATM 55 H16 UNL 1 -4.765 -5.050 1.210 1.00 0.00 H HETATM 56 H17 UNL 1 -3.147 -4.469 0.540 1.00 0.00 H HETATM 57 H18 UNL 1 -5.282 -2.850 2.039 1.00 0.00 H HETATM 58 H19 UNL 1 -5.069 -2.865 0.238 1.00 0.00 H HETATM 59 H20 UNL 1 -3.277 -1.510 0.300 1.00 0.00 H HETATM 60 H21 UNL 1 -4.073 -0.957 1.794 1.00 0.00 H HETATM 61 H22 UNL 1 -1.593 -1.737 -1.599 1.00 0.00 H HETATM 62 H23 UNL 1 0.684 -1.673 -2.403 1.00 0.00 H HETATM 63 H24 UNL 1 0.780 -3.005 -1.178 1.00 0.00 H HETATM 64 H25 UNL 1 1.484 -1.319 0.557 1.00 0.00 H HETATM 65 H26 UNL 1 2.895 -0.586 -2.040 1.00 0.00 H HETATM 66 H27 UNL 1 3.251 -2.886 -1.451 1.00 0.00 H HETATM 67 H28 UNL 1 3.288 -2.533 0.276 1.00 0.00 H HETATM 68 H29 UNL 1 5.459 -2.122 -1.728 1.00 0.00 H HETATM 69 H30 UNL 1 5.532 -2.833 -0.122 1.00 0.00 H HETATM 70 H31 UNL 1 7.191 -1.702 0.737 1.00 0.00 H HETATM 71 H32 UNL 1 6.907 2.707 1.122 1.00 0.00 H HETATM 72 H33 UNL 1 4.963 2.732 -0.169 1.00 0.00 H HETATM 73 H34 UNL 1 4.102 1.195 -2.528 1.00 0.00 H HETATM 74 H35 UNL 1 4.825 -0.432 -2.540 1.00 0.00 H HETATM 75 H36 UNL 1 5.885 1.028 -2.357 1.00 0.00 H HETATM 76 H37 UNL 1 3.538 -0.232 0.931 1.00 0.00 H HETATM 77 H38 UNL 1 3.010 1.956 1.092 1.00 0.00 H HETATM 78 H39 UNL 1 2.451 3.344 -0.416 1.00 0.00 H HETATM 79 H40 UNL 1 0.646 2.143 0.561 1.00 0.00 H HETATM 80 H41 UNL 1 1.162 0.615 1.455 1.00 0.00 H HETATM 81 H42 UNL 1 1.742 1.029 -2.284 1.00 0.00 H HETATM 82 H43 UNL 1 0.154 1.870 -1.915 1.00 0.00 H HETATM 83 H44 UNL 1 0.220 0.250 -2.687 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 4 43 CONECT 3 44 45 46 CONECT 4 5 5 6 CONECT 6 7 CONECT 7 8 47 48 CONECT 8 9 9 10 CONECT 10 11 20 38 CONECT 11 12 CONECT 12 13 19 49 CONECT 13 14 18 50 CONECT 14 15 51 52 CONECT 15 16 53 54 CONECT 16 17 55 56 CONECT 17 18 57 58 CONECT 18 59 60 CONECT 19 20 CONECT 20 21 61 CONECT 21 22 62 63 CONECT 22 23 38 64 CONECT 23 24 34 65 CONECT 24 25 66 67 CONECT 25 26 68 69 CONECT 26 27 27 32 CONECT 27 28 70 CONECT 28 29 29 30 CONECT 30 31 31 71 CONECT 31 32 72 CONECT 32 33 34 CONECT 33 73 74 75 CONECT 34 35 76 CONECT 35 36 37 77 CONECT 36 78 CONECT 37 38 79 80 CONECT 38 39 CONECT 39 81 82 83 END