COMPND HMDB0041415 HETATM 1 C1 UNL 1 2.801 -1.832 0.044 1.00 0.00 C HETATM 2 C2 UNL 1 1.561 -1.073 -0.236 1.00 0.00 C HETATM 3 C3 UNL 1 1.246 -0.027 0.471 1.00 0.00 C HETATM 4 C4 UNL 1 1.898 0.644 1.581 1.00 0.00 C HETATM 5 O1 UNL 1 3.104 0.226 2.060 1.00 0.00 O HETATM 6 C5 UNL 1 4.359 0.321 1.511 1.00 0.00 C HETATM 7 C6 UNL 1 5.465 -0.202 2.142 1.00 0.00 C HETATM 8 C7 UNL 1 6.718 -0.086 1.572 1.00 0.00 C HETATM 9 C8 UNL 1 6.887 0.543 0.379 1.00 0.00 C HETATM 10 C9 UNL 1 8.125 0.669 -0.205 1.00 0.00 C HETATM 11 C10 UNL 1 8.265 1.314 -1.417 1.00 0.00 C HETATM 12 C11 UNL 1 7.119 1.817 -2.002 1.00 0.00 C HETATM 13 O2 UNL 1 7.233 2.405 -3.104 1.00 0.00 O HETATM 14 O3 UNL 1 5.964 1.675 -1.412 1.00 0.00 O HETATM 15 C12 UNL 1 5.792 1.071 -0.265 1.00 0.00 C HETATM 16 C13 UNL 1 4.527 0.956 0.307 1.00 0.00 C HETATM 17 C14 UNL 1 0.731 -1.549 -1.386 1.00 0.00 C HETATM 18 O4 UNL 1 1.449 -1.097 -2.529 1.00 0.00 O HETATM 19 C15 UNL 1 -0.626 -1.032 -1.526 1.00 0.00 C HETATM 20 C16 UNL 1 -1.646 -1.284 -0.493 1.00 0.00 C HETATM 21 O5 UNL 1 -2.824 -0.639 -0.925 1.00 0.00 O HETATM 22 C17 UNL 1 -3.357 0.220 -0.015 1.00 0.00 C HETATM 23 O6 UNL 1 -3.467 1.534 -0.536 1.00 0.00 O HETATM 24 C18 UNL 1 -3.698 2.384 0.555 1.00 0.00 C HETATM 25 C19 UNL 1 -3.826 3.777 0.008 1.00 0.00 C HETATM 26 O7 UNL 1 -4.061 4.687 1.056 1.00 0.00 O HETATM 27 C20 UNL 1 -4.972 2.000 1.281 1.00 0.00 C HETATM 28 O8 UNL 1 -5.809 3.096 1.472 1.00 0.00 O HETATM 29 C21 UNL 1 -5.698 1.002 0.411 1.00 0.00 C HETATM 30 O9 UNL 1 -6.894 0.577 0.974 1.00 0.00 O HETATM 31 C22 UNL 1 -4.779 -0.213 0.273 1.00 0.00 C HETATM 32 O10 UNL 1 -5.321 -0.961 -0.786 1.00 0.00 O HETATM 33 C23 UNL 1 -2.093 -2.746 -0.430 1.00 0.00 C HETATM 34 C24 UNL 1 -2.681 -3.206 -1.737 1.00 0.00 C HETATM 35 C25 UNL 1 -1.059 -3.671 0.116 1.00 0.00 C HETATM 36 O11 UNL 1 -3.154 -2.759 0.500 1.00 0.00 O HETATM 37 H1 UNL 1 2.582 -2.914 -0.311 1.00 0.00 H HETATM 38 H2 UNL 1 2.992 -1.989 1.135 1.00 0.00 H HETATM 39 H3 UNL 1 3.679 -1.565 -0.519 1.00 0.00 H HETATM 40 H4 UNL 1 0.275 0.483 0.126 1.00 0.00 H HETATM 41 H5 UNL 1 1.193 0.624 2.512 1.00 0.00 H HETATM 42 H6 UNL 1 1.927 1.765 1.319 1.00 0.00 H HETATM 43 H7 UNL 1 5.392 -0.720 3.105 1.00 0.00 H HETATM 44 H8 UNL 1 7.583 -0.507 2.087 1.00 0.00 H HETATM 45 H9 UNL 1 9.006 0.258 0.289 1.00 0.00 H HETATM 46 H10 UNL 1 9.209 1.436 -1.910 1.00 0.00 H HETATM 47 H11 UNL 1 3.695 1.394 -0.249 1.00 0.00 H HETATM 48 H12 UNL 1 0.831 -2.659 -1.463 1.00 0.00 H HETATM 49 H13 UNL 1 1.435 -0.129 -2.594 1.00 0.00 H HETATM 50 H14 UNL 1 -0.992 -1.360 -2.549 1.00 0.00 H HETATM 51 H15 UNL 1 -0.561 0.093 -1.654 1.00 0.00 H HETATM 52 H16 UNL 1 -1.346 -1.005 0.499 1.00 0.00 H HETATM 53 H17 UNL 1 -2.797 0.285 0.940 1.00 0.00 H HETATM 54 H18 UNL 1 -2.877 2.286 1.293 1.00 0.00 H HETATM 55 H19 UNL 1 -2.887 4.015 -0.533 1.00 0.00 H HETATM 56 H20 UNL 1 -4.699 3.784 -0.680 1.00 0.00 H HETATM 57 H21 UNL 1 -3.426 5.439 0.929 1.00 0.00 H HETATM 58 H22 UNL 1 -4.761 1.496 2.258 1.00 0.00 H HETATM 59 H23 UNL 1 -5.700 3.391 2.402 1.00 0.00 H HETATM 60 H24 UNL 1 -5.822 1.437 -0.598 1.00 0.00 H HETATM 61 H25 UNL 1 -7.556 1.311 0.855 1.00 0.00 H HETATM 62 H26 UNL 1 -4.886 -0.762 1.225 1.00 0.00 H HETATM 63 H27 UNL 1 -4.936 -0.587 -1.616 1.00 0.00 H HETATM 64 H28 UNL 1 -3.265 -4.120 -1.557 1.00 0.00 H HETATM 65 H29 UNL 1 -3.385 -2.421 -2.083 1.00 0.00 H HETATM 66 H30 UNL 1 -1.920 -3.309 -2.537 1.00 0.00 H HETATM 67 H31 UNL 1 -1.487 -4.372 0.896 1.00 0.00 H HETATM 68 H32 UNL 1 -0.298 -3.092 0.670 1.00 0.00 H HETATM 69 H33 UNL 1 -0.634 -4.361 -0.642 1.00 0.00 H HETATM 70 H34 UNL 1 -2.838 -2.165 1.245 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 3 17 CONECT 3 4 40 CONECT 4 5 41 42 CONECT 5 6 CONECT 6 7 7 16 CONECT 7 8 43 CONECT 8 9 9 44 CONECT 9 10 15 CONECT 10 11 11 45 CONECT 11 12 46 CONECT 12 13 13 14 CONECT 14 15 CONECT 15 16 16 CONECT 16 47 CONECT 17 18 19 48 CONECT 18 49 CONECT 19 20 50 51 CONECT 20 21 33 52 CONECT 21 22 CONECT 22 23 31 53 CONECT 23 24 CONECT 24 25 27 54 CONECT 25 26 55 56 CONECT 26 57 CONECT 27 28 29 58 CONECT 28 59 CONECT 29 30 31 60 CONECT 30 61 CONECT 31 32 62 CONECT 32 63 CONECT 33 34 35 36 CONECT 34 64 65 66 CONECT 35 67 68 69 CONECT 36 70 END