COMPND HMDB0248172 HETATM 1 C1 UNL 1 -3.777 -2.257 3.507 1.00 0.00 C HETATM 2 N1 UNL 1 -2.701 -2.478 2.539 1.00 0.00 N HETATM 3 C2 UNL 1 -2.593 -1.618 1.392 1.00 0.00 C HETATM 4 O1 UNL 1 -3.467 -0.683 1.278 1.00 0.00 O HETATM 5 C3 UNL 1 -1.547 -1.762 0.378 1.00 0.00 C HETATM 6 C4 UNL 1 -1.842 -3.016 -0.411 1.00 0.00 C HETATM 7 C5 UNL 1 -1.095 -3.244 -1.556 1.00 0.00 C HETATM 8 C6 UNL 1 -1.347 -4.367 -2.281 1.00 0.00 C HETATM 9 C7 UNL 1 -2.325 -5.294 -1.915 1.00 0.00 C HETATM 10 C8 UNL 1 -3.035 -5.034 -0.781 1.00 0.00 C HETATM 11 C9 UNL 1 -2.807 -3.889 -0.007 1.00 0.00 C HETATM 12 N2 UNL 1 -1.507 -0.639 -0.479 1.00 0.00 N HETATM 13 C10 UNL 1 -2.577 -0.396 -1.352 1.00 0.00 C HETATM 14 C11 UNL 1 -2.317 0.858 -2.220 1.00 0.00 C HETATM 15 C12 UNL 1 -1.663 1.922 -1.405 1.00 0.00 C HETATM 16 C13 UNL 1 -1.993 3.214 -1.439 1.00 0.00 C HETATM 17 C14 UNL 1 -1.379 4.144 -0.561 1.00 0.00 C HETATM 18 O2 UNL 1 -1.692 5.427 -0.582 1.00 0.00 O HETATM 19 C15 UNL 1 -2.335 6.477 -1.034 1.00 0.00 C HETATM 20 C16 UNL 1 -0.419 3.672 0.353 1.00 0.00 C HETATM 21 O3 UNL 1 0.159 4.587 1.210 1.00 0.00 O HETATM 22 C17 UNL 1 0.966 4.433 2.292 1.00 0.00 C HETATM 23 C18 UNL 1 -0.095 2.332 0.373 1.00 0.00 C HETATM 24 C19 UNL 1 -0.683 1.474 -0.481 1.00 0.00 C HETATM 25 C20 UNL 1 -0.326 0.039 -0.736 1.00 0.00 C HETATM 26 C21 UNL 1 0.989 -0.374 -0.224 1.00 0.00 C HETATM 27 C22 UNL 1 2.049 0.576 -0.762 1.00 0.00 C HETATM 28 C23 UNL 1 3.368 0.113 -0.237 1.00 0.00 C HETATM 29 C24 UNL 1 4.154 -0.730 -1.032 1.00 0.00 C HETATM 30 C25 UNL 1 5.364 -1.173 -0.578 1.00 0.00 C HETATM 31 C26 UNL 1 5.878 -0.825 0.666 1.00 0.00 C HETATM 32 C27 UNL 1 7.190 -1.317 1.122 1.00 0.00 C HETATM 33 F1 UNL 1 7.934 -0.266 1.599 1.00 0.00 F HETATM 34 F2 UNL 1 7.126 -2.304 2.081 1.00 0.00 F HETATM 35 F3 UNL 1 7.868 -1.806 -0.011 1.00 0.00 F HETATM 36 C28 UNL 1 5.096 0.004 1.437 1.00 0.00 C HETATM 37 C29 UNL 1 3.859 0.465 0.990 1.00 0.00 C HETATM 38 H1 UNL 1 -4.641 -2.853 3.107 1.00 0.00 H HETATM 39 H2 UNL 1 -4.042 -1.192 3.602 1.00 0.00 H HETATM 40 H3 UNL 1 -3.479 -2.735 4.456 1.00 0.00 H HETATM 41 H4 UNL 1 -2.039 -3.238 2.676 1.00 0.00 H HETATM 42 H5 UNL 1 -0.585 -1.902 0.861 1.00 0.00 H HETATM 43 H6 UNL 1 -0.349 -2.518 -1.844 1.00 0.00 H HETATM 44 H7 UNL 1 -0.761 -4.538 -3.180 1.00 0.00 H HETATM 45 H8 UNL 1 -2.492 -6.174 -2.536 1.00 0.00 H HETATM 46 H9 UNL 1 -3.808 -5.715 -0.443 1.00 0.00 H HETATM 47 H10 UNL 1 -3.431 -3.745 0.856 1.00 0.00 H HETATM 48 H11 UNL 1 -3.587 -0.366 -0.955 1.00 0.00 H HETATM 49 H12 UNL 1 -2.601 -1.229 -2.139 1.00 0.00 H HETATM 50 H13 UNL 1 -1.689 0.589 -3.067 1.00 0.00 H HETATM 51 H14 UNL 1 -3.345 1.189 -2.507 1.00 0.00 H HETATM 52 H15 UNL 1 -2.745 3.623 -2.138 1.00 0.00 H HETATM 53 H16 UNL 1 -2.309 7.345 -0.282 1.00 0.00 H HETATM 54 H17 UNL 1 -1.993 6.894 -2.033 1.00 0.00 H HETATM 55 H18 UNL 1 -3.450 6.317 -1.195 1.00 0.00 H HETATM 56 H19 UNL 1 0.890 5.320 3.012 1.00 0.00 H HETATM 57 H20 UNL 1 0.787 3.524 2.935 1.00 0.00 H HETATM 58 H21 UNL 1 2.060 4.439 2.038 1.00 0.00 H HETATM 59 H22 UNL 1 0.636 1.998 1.130 1.00 0.00 H HETATM 60 H23 UNL 1 -0.189 -0.016 -1.891 1.00 0.00 H HETATM 61 H24 UNL 1 1.076 -0.515 0.867 1.00 0.00 H HETATM 62 H25 UNL 1 1.266 -1.352 -0.724 1.00 0.00 H HETATM 63 H26 UNL 1 2.069 0.377 -1.891 1.00 0.00 H HETATM 64 H27 UNL 1 1.876 1.629 -0.687 1.00 0.00 H HETATM 65 H28 UNL 1 3.767 -1.024 -2.005 1.00 0.00 H HETATM 66 H29 UNL 1 5.971 -1.834 -1.191 1.00 0.00 H HETATM 67 H30 UNL 1 5.407 0.312 2.412 1.00 0.00 H HETATM 68 H31 UNL 1 3.250 1.121 1.623 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 41 CONECT 3 4 4 5 CONECT 5 6 12 42 CONECT 6 7 7 11 CONECT 7 8 43 CONECT 8 9 9 44 CONECT 9 10 45 CONECT 10 11 11 46 CONECT 11 47 CONECT 12 13 25 CONECT 13 14 48 49 CONECT 14 15 50 51 CONECT 15 16 16 24 CONECT 16 17 52 CONECT 17 18 20 20 CONECT 18 19 CONECT 19 53 54 55 CONECT 20 21 23 CONECT 21 22 CONECT 22 56 57 58 CONECT 23 24 24 59 CONECT 24 25 CONECT 25 26 60 CONECT 26 27 61 62 CONECT 27 28 63 64 CONECT 28 29 29 37 CONECT 29 30 65 CONECT 30 31 31 66 CONECT 31 32 36 CONECT 32 33 34 35 CONECT 36 37 37 67 CONECT 37 68 END