COMPND HMDB0030640 HETATM 1 C1 UNL 1 10.750 0.829 2.066 1.00 0.00 C HETATM 2 O1 UNL 1 10.122 0.642 0.838 1.00 0.00 O HETATM 3 C2 UNL 1 8.762 0.611 0.630 1.00 0.00 C HETATM 4 C3 UNL 1 8.286 0.416 -0.651 1.00 0.00 C HETATM 5 C4 UNL 1 6.909 0.382 -0.883 1.00 0.00 C HETATM 6 C5 UNL 1 5.999 0.539 0.144 1.00 0.00 C HETATM 7 C6 UNL 1 4.588 0.497 -0.143 1.00 0.00 C HETATM 8 C7 UNL 1 4.062 1.180 -1.221 1.00 0.00 C HETATM 9 O2 UNL 1 2.784 1.161 -1.508 1.00 0.00 O HETATM 10 C8 UNL 1 1.930 0.487 -0.780 1.00 0.00 C HETATM 11 C9 UNL 1 0.586 0.477 -1.095 1.00 0.00 C HETATM 12 C10 UNL 1 -0.346 -0.216 -0.361 1.00 0.00 C HETATM 13 O3 UNL 1 -1.687 -0.207 -0.702 1.00 0.00 O HETATM 14 C11 UNL 1 -2.308 0.446 -1.761 1.00 0.00 C HETATM 15 O4 UNL 1 -3.316 1.294 -1.321 1.00 0.00 O HETATM 16 C12 UNL 1 -4.139 0.546 -0.433 1.00 0.00 C HETATM 17 C13 UNL 1 -4.844 1.465 0.493 1.00 0.00 C HETATM 18 O5 UNL 1 -5.738 0.899 1.364 1.00 0.00 O HETATM 19 C14 UNL 1 -6.989 0.396 1.149 1.00 0.00 C HETATM 20 O6 UNL 1 -7.494 0.436 0.006 1.00 0.00 O HETATM 21 C15 UNL 1 -7.807 -0.216 2.239 1.00 0.00 C HETATM 22 C16 UNL 1 -9.112 -0.673 1.724 1.00 0.00 C HETATM 23 O7 UNL 1 -9.397 -0.524 0.528 1.00 0.00 O HETATM 24 O8 UNL 1 -10.005 -1.269 2.601 1.00 0.00 O HETATM 25 C17 UNL 1 -4.893 -0.451 -1.211 1.00 0.00 C HETATM 26 O9 UNL 1 -5.527 0.105 -2.314 1.00 0.00 O HETATM 27 C18 UNL 1 -3.869 -1.446 -1.824 1.00 0.00 C HETATM 28 O10 UNL 1 -4.581 -2.334 -2.636 1.00 0.00 O HETATM 29 C19 UNL 1 -2.906 -0.645 -2.652 1.00 0.00 C HETATM 30 O11 UNL 1 -3.575 -0.113 -3.734 1.00 0.00 O HETATM 31 C20 UNL 1 0.087 -0.929 0.736 1.00 0.00 C HETATM 32 C21 UNL 1 1.455 -0.948 1.097 1.00 0.00 C HETATM 33 O12 UNL 1 1.810 -1.677 2.197 1.00 0.00 O HETATM 34 C22 UNL 1 2.355 -0.243 0.338 1.00 0.00 C HETATM 35 C23 UNL 1 3.695 -0.222 0.638 1.00 0.00 C HETATM 36 O13 UNL 1 4.156 -0.833 1.598 1.00 0.00 O HETATM 37 C24 UNL 1 6.478 0.734 1.421 1.00 0.00 C HETATM 38 C25 UNL 1 7.824 0.764 1.627 1.00 0.00 C HETATM 39 H1 UNL 1 10.328 1.722 2.600 1.00 0.00 H HETATM 40 H2 UNL 1 10.612 -0.083 2.674 1.00 0.00 H HETATM 41 H3 UNL 1 11.827 1.028 1.887 1.00 0.00 H HETATM 42 H4 UNL 1 8.974 0.292 -1.464 1.00 0.00 H HETATM 43 H5 UNL 1 6.612 0.225 -1.917 1.00 0.00 H HETATM 44 H6 UNL 1 4.688 1.776 -1.896 1.00 0.00 H HETATM 45 H7 UNL 1 0.288 1.045 -1.958 1.00 0.00 H HETATM 46 H8 UNL 1 -1.620 1.029 -2.405 1.00 0.00 H HETATM 47 H9 UNL 1 -3.367 -0.039 0.169 1.00 0.00 H HETATM 48 H10 UNL 1 -5.350 2.314 -0.077 1.00 0.00 H HETATM 49 H11 UNL 1 -4.073 2.000 1.136 1.00 0.00 H HETATM 50 H12 UNL 1 -7.241 -1.030 2.763 1.00 0.00 H HETATM 51 H13 UNL 1 -7.990 0.567 3.007 1.00 0.00 H HETATM 52 H14 UNL 1 -9.767 -1.931 3.307 1.00 0.00 H HETATM 53 H15 UNL 1 -5.574 -1.079 -0.579 1.00 0.00 H HETATM 54 H16 UNL 1 -5.883 -0.571 -2.929 1.00 0.00 H HETATM 55 H17 UNL 1 -3.368 -1.964 -0.981 1.00 0.00 H HETATM 56 H18 UNL 1 -4.070 -3.162 -2.798 1.00 0.00 H HETATM 57 H19 UNL 1 -2.065 -1.248 -3.003 1.00 0.00 H HETATM 58 H20 UNL 1 -3.025 0.022 -4.528 1.00 0.00 H HETATM 59 H21 UNL 1 -0.622 -1.483 1.332 1.00 0.00 H HETATM 60 H22 UNL 1 2.654 -1.834 2.621 1.00 0.00 H HETATM 61 H23 UNL 1 5.737 0.853 2.202 1.00 0.00 H HETATM 62 H24 UNL 1 8.187 0.917 2.632 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 CONECT 3 4 4 38 CONECT 4 5 42 CONECT 5 6 6 43 CONECT 6 7 37 CONECT 7 8 8 35 CONECT 8 9 44 CONECT 9 10 CONECT 10 11 11 34 CONECT 11 12 45 CONECT 12 13 31 31 CONECT 13 14 CONECT 14 15 29 46 CONECT 15 16 CONECT 16 17 25 47 CONECT 17 18 48 49 CONECT 18 19 CONECT 19 20 20 21 CONECT 21 22 50 51 CONECT 22 23 23 24 CONECT 24 52 CONECT 25 26 27 53 CONECT 26 54 CONECT 27 28 29 55 CONECT 28 56 CONECT 29 30 57 CONECT 30 58 CONECT 31 32 59 CONECT 32 33 34 34 CONECT 33 60 CONECT 34 35 CONECT 35 36 36 CONECT 37 38 38 61 CONECT 38 62 END