COMPND HMDB0248293 HETATM 1 C1 UNL 1 -8.278 3.446 -0.539 1.00 0.00 C HETATM 2 C2 UNL 1 -7.155 2.506 -0.997 1.00 0.00 C HETATM 3 O1 UNL 1 -6.483 2.106 0.160 1.00 0.00 O HETATM 4 C3 UNL 1 -5.397 1.253 0.212 1.00 0.00 C HETATM 5 C4 UNL 1 -4.866 0.977 1.455 1.00 0.00 C HETATM 6 C5 UNL 1 -3.782 0.127 1.507 1.00 0.00 C HETATM 7 C6 UNL 1 -3.227 -0.445 0.351 1.00 0.00 C HETATM 8 N1 UNL 1 -2.112 -1.303 0.503 1.00 0.00 N HETATM 9 C7 UNL 1 -0.869 -0.756 0.610 1.00 0.00 C HETATM 10 C8 UNL 1 -0.760 0.715 0.517 1.00 0.00 C HETATM 11 C9 UNL 1 -0.774 1.448 1.799 1.00 0.00 C HETATM 12 N2 UNL 1 0.475 1.042 -0.219 1.00 0.00 N HETATM 13 C10 UNL 1 0.442 1.695 -1.506 1.00 0.00 C HETATM 14 C11 UNL 1 0.562 0.812 -2.666 1.00 0.00 C HETATM 15 C12 UNL 1 -0.250 -0.249 -2.895 1.00 0.00 C HETATM 16 C13 UNL 1 -0.121 -1.076 -4.024 1.00 0.00 C HETATM 17 C14 UNL 1 0.887 -0.764 -4.915 1.00 0.00 C HETATM 18 N3 UNL 1 1.702 0.286 -4.702 1.00 0.00 N HETATM 19 C15 UNL 1 1.559 1.059 -3.620 1.00 0.00 C HETATM 20 C16 UNL 1 1.748 0.760 0.360 1.00 0.00 C HETATM 21 O2 UNL 1 1.873 0.279 1.529 1.00 0.00 O HETATM 22 C17 UNL 1 2.976 1.023 -0.392 1.00 0.00 C HETATM 23 C18 UNL 1 4.198 0.696 0.396 1.00 0.00 C HETATM 24 C19 UNL 1 4.773 -0.544 0.419 1.00 0.00 C HETATM 25 C20 UNL 1 5.905 -0.769 1.170 1.00 0.00 C HETATM 26 C21 UNL 1 6.483 0.249 1.914 1.00 0.00 C HETATM 27 O3 UNL 1 7.612 0.055 2.673 1.00 0.00 O HETATM 28 C22 UNL 1 8.929 0.236 2.189 1.00 0.00 C HETATM 29 F1 UNL 1 9.083 -0.653 1.125 1.00 0.00 F HETATM 30 F2 UNL 1 9.808 -0.169 3.173 1.00 0.00 F HETATM 31 F3 UNL 1 9.150 1.520 1.767 1.00 0.00 F HETATM 32 C23 UNL 1 5.904 1.490 1.887 1.00 0.00 C HETATM 33 C24 UNL 1 4.770 1.702 1.130 1.00 0.00 C HETATM 34 N4 UNL 1 0.227 -1.505 0.770 1.00 0.00 N HETATM 35 C25 UNL 1 0.156 -2.833 0.833 1.00 0.00 C HETATM 36 N5 UNL 1 1.281 -3.560 0.995 1.00 0.00 N HETATM 37 C26 UNL 1 1.217 -4.895 1.060 1.00 0.00 C HETATM 38 C27 UNL 1 -0.001 -5.516 0.959 1.00 0.00 C HETATM 39 C28 UNL 1 -1.169 -4.803 0.792 1.00 0.00 C HETATM 40 C29 UNL 1 -1.078 -3.438 0.729 1.00 0.00 C HETATM 41 C30 UNL 1 -2.186 -2.646 0.566 1.00 0.00 C HETATM 42 O4 UNL 1 -3.340 -3.174 0.468 1.00 0.00 O HETATM 43 C31 UNL 1 -3.760 -0.168 -0.888 1.00 0.00 C HETATM 44 C32 UNL 1 -4.844 0.684 -0.931 1.00 0.00 C HETATM 45 H1 UNL 1 -9.176 3.223 -1.123 1.00 0.00 H HETATM 46 H2 UNL 1 -8.511 3.299 0.530 1.00 0.00 H HETATM 47 H3 UNL 1 -7.975 4.479 -0.755 1.00 0.00 H HETATM 48 H4 UNL 1 -6.484 3.068 -1.686 1.00 0.00 H HETATM 49 H5 UNL 1 -7.607 1.620 -1.476 1.00 0.00 H HETATM 50 H6 UNL 1 -5.293 1.417 2.345 1.00 0.00 H HETATM 51 H7 UNL 1 -3.368 -0.086 2.489 1.00 0.00 H HETATM 52 H8 UNL 1 -1.582 1.112 -0.139 1.00 0.00 H HETATM 53 H9 UNL 1 -0.691 0.716 2.651 1.00 0.00 H HETATM 54 H10 UNL 1 0.128 2.105 1.908 1.00 0.00 H HETATM 55 H11 UNL 1 -1.689 2.049 1.927 1.00 0.00 H HETATM 56 H12 UNL 1 1.260 2.477 -1.506 1.00 0.00 H HETATM 57 H13 UNL 1 -0.539 2.233 -1.601 1.00 0.00 H HETATM 58 H14 UNL 1 -1.039 -0.497 -2.209 1.00 0.00 H HETATM 59 H15 UNL 1 -0.791 -1.911 -4.168 1.00 0.00 H HETATM 60 H16 UNL 1 0.984 -1.405 -5.785 1.00 0.00 H HETATM 61 H17 UNL 1 2.202 1.918 -3.417 1.00 0.00 H HETATM 62 H18 UNL 1 3.051 2.072 -0.712 1.00 0.00 H HETATM 63 H19 UNL 1 3.046 0.360 -1.296 1.00 0.00 H HETATM 64 H20 UNL 1 4.323 -1.334 -0.158 1.00 0.00 H HETATM 65 H21 UNL 1 6.380 -1.740 1.209 1.00 0.00 H HETATM 66 H22 UNL 1 6.356 2.296 2.472 1.00 0.00 H HETATM 67 H23 UNL 1 4.359 2.710 1.152 1.00 0.00 H HETATM 68 H24 UNL 1 2.131 -5.462 1.191 1.00 0.00 H HETATM 69 H25 UNL 1 0.003 -6.607 1.019 1.00 0.00 H HETATM 70 H26 UNL 1 -2.096 -5.342 0.719 1.00 0.00 H HETATM 71 H27 UNL 1 -3.367 -0.589 -1.803 1.00 0.00 H HETATM 72 H28 UNL 1 -5.284 0.922 -1.894 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 48 49 CONECT 3 4 CONECT 4 5 5 44 CONECT 5 6 50 CONECT 6 7 7 51 CONECT 7 8 43 CONECT 8 9 41 CONECT 9 10 34 34 CONECT 10 11 12 52 CONECT 11 53 54 55 CONECT 12 13 20 CONECT 13 14 56 57 CONECT 14 15 15 19 CONECT 15 16 58 CONECT 16 17 17 59 CONECT 17 18 60 CONECT 18 19 19 CONECT 19 61 CONECT 20 21 21 22 CONECT 22 23 62 63 CONECT 23 24 24 33 CONECT 24 25 64 CONECT 25 26 26 65 CONECT 26 27 32 CONECT 27 28 CONECT 28 29 30 31 CONECT 32 33 33 66 CONECT 33 67 CONECT 34 35 CONECT 35 36 36 40 CONECT 36 37 CONECT 37 38 38 68 CONECT 38 39 69 CONECT 39 40 40 70 CONECT 40 41 CONECT 41 42 42 CONECT 43 44 44 71 CONECT 44 72 END