COMPND HMDB0015132 HETATM 1 C1 UNL 1 5.301 -4.971 0.731 1.00 0.00 C HETATM 2 O1 UNL 1 4.533 -3.792 0.469 1.00 0.00 O HETATM 3 C2 UNL 1 5.143 -2.796 -0.280 1.00 0.00 C HETATM 4 C3 UNL 1 6.423 -2.904 -0.763 1.00 0.00 C HETATM 5 C4 UNL 1 6.977 -1.880 -1.501 1.00 0.00 C HETATM 6 C5 UNL 1 6.299 -0.734 -1.785 1.00 0.00 C HETATM 7 C6 UNL 1 4.994 -0.615 -1.297 1.00 0.00 C HETATM 8 C7 UNL 1 4.434 -1.644 -0.553 1.00 0.00 C HETATM 9 C8 UNL 1 3.077 -1.559 -0.026 1.00 0.00 C HETATM 10 O2 UNL 1 2.563 -2.491 0.650 1.00 0.00 O HETATM 11 C9 UNL 1 2.291 -0.362 -0.290 1.00 0.00 C HETATM 12 C10 UNL 1 0.983 -0.265 0.210 1.00 0.00 C HETATM 13 O3 UNL 1 0.537 -1.331 0.928 1.00 0.00 O HETATM 14 C11 UNL 1 0.253 0.858 -0.042 1.00 0.00 C HETATM 15 C12 UNL 1 0.844 1.894 -0.799 1.00 0.00 C HETATM 16 C13 UNL 1 2.090 1.797 -1.273 1.00 0.00 C HETATM 17 O4 UNL 1 2.688 2.799 -2.021 1.00 0.00 O HETATM 18 C14 UNL 1 2.850 0.647 -1.023 1.00 0.00 C HETATM 19 C15 UNL 1 4.206 0.583 -1.560 1.00 0.00 C HETATM 20 O5 UNL 1 4.681 1.535 -2.230 1.00 0.00 O HETATM 21 C16 UNL 1 -0.043 3.091 -0.978 1.00 0.00 C HETATM 22 C17 UNL 1 -0.663 3.524 0.341 1.00 0.00 C HETATM 23 O6 UNL 1 0.324 4.223 1.024 1.00 0.00 O HETATM 24 C18 UNL 1 -1.757 4.447 0.008 1.00 0.00 C HETATM 25 O7 UNL 1 -2.764 4.114 -0.594 1.00 0.00 O HETATM 26 C19 UNL 1 -1.666 5.872 0.410 1.00 0.00 C HETATM 27 O8 UNL 1 -0.520 6.209 1.084 1.00 0.00 O HETATM 28 C20 UNL 1 -1.099 2.372 1.210 1.00 0.00 C HETATM 29 C21 UNL 1 -1.158 1.095 0.403 1.00 0.00 C HETATM 30 O9 UNL 1 -1.705 0.024 0.923 1.00 0.00 O HETATM 31 C22 UNL 1 -2.787 -0.551 0.283 1.00 0.00 C HETATM 32 C23 UNL 1 -2.612 -1.954 -0.171 1.00 0.00 C HETATM 33 C24 UNL 1 -3.957 -2.490 -0.645 1.00 0.00 C HETATM 34 N1 UNL 1 -4.404 -1.726 -1.794 1.00 0.00 N HETATM 35 C25 UNL 1 -4.905 -2.443 0.504 1.00 0.00 C HETATM 36 O10 UNL 1 -6.176 -2.010 0.064 1.00 0.00 O HETATM 37 C26 UNL 1 -4.432 -1.522 1.594 1.00 0.00 C HETATM 38 C27 UNL 1 -5.487 -1.211 2.606 1.00 0.00 C HETATM 39 O11 UNL 1 -3.863 -0.364 1.131 1.00 0.00 O HETATM 40 H1 UNL 1 4.717 -5.724 1.283 1.00 0.00 H HETATM 41 H2 UNL 1 5.701 -5.367 -0.230 1.00 0.00 H HETATM 42 H3 UNL 1 6.156 -4.680 1.369 1.00 0.00 H HETATM 43 H4 UNL 1 6.988 -3.816 -0.548 1.00 0.00 H HETATM 44 H5 UNL 1 7.983 -1.995 -1.866 1.00 0.00 H HETATM 45 H6 UNL 1 6.671 0.090 -2.349 1.00 0.00 H HETATM 46 H7 UNL 1 -0.276 -1.566 1.404 1.00 0.00 H HETATM 47 H8 UNL 1 2.222 3.644 -2.252 1.00 0.00 H HETATM 48 H9 UNL 1 0.560 3.936 -1.324 1.00 0.00 H HETATM 49 H10 UNL 1 -0.847 2.909 -1.702 1.00 0.00 H HETATM 50 H11 UNL 1 0.256 4.079 2.011 1.00 0.00 H HETATM 51 H12 UNL 1 -2.575 6.214 0.957 1.00 0.00 H HETATM 52 H13 UNL 1 -1.670 6.469 -0.549 1.00 0.00 H HETATM 53 H14 UNL 1 -0.037 6.981 0.680 1.00 0.00 H HETATM 54 H15 UNL 1 -0.378 2.235 2.009 1.00 0.00 H HETATM 55 H16 UNL 1 -2.074 2.655 1.653 1.00 0.00 H HETATM 56 H17 UNL 1 -1.709 1.332 -0.575 1.00 0.00 H HETATM 57 H18 UNL 1 -2.982 0.091 -0.627 1.00 0.00 H HETATM 58 H19 UNL 1 -1.903 -1.998 -1.039 1.00 0.00 H HETATM 59 H20 UNL 1 -2.258 -2.647 0.598 1.00 0.00 H HETATM 60 H21 UNL 1 -3.770 -3.527 -0.986 1.00 0.00 H HETATM 61 H22 UNL 1 -4.839 -0.830 -1.551 1.00 0.00 H HETATM 62 H23 UNL 1 -4.980 -2.344 -2.408 1.00 0.00 H HETATM 63 H24 UNL 1 -5.048 -3.480 0.870 1.00 0.00 H HETATM 64 H25 UNL 1 -6.485 -2.708 -0.583 1.00 0.00 H HETATM 65 H26 UNL 1 -3.611 -2.078 2.137 1.00 0.00 H HETATM 66 H27 UNL 1 -6.497 -1.302 2.169 1.00 0.00 H HETATM 67 H28 UNL 1 -5.387 -0.173 2.986 1.00 0.00 H HETATM 68 H29 UNL 1 -5.419 -1.870 3.518 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 43 CONECT 5 6 6 44 CONECT 6 7 45 CONECT 7 8 8 19 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 12 18 CONECT 12 13 14 CONECT 13 46 CONECT 14 15 15 29 CONECT 15 16 21 CONECT 16 17 18 18 CONECT 17 47 CONECT 18 19 CONECT 19 20 20 CONECT 21 22 48 49 CONECT 22 23 24 28 CONECT 23 50 CONECT 24 25 25 26 CONECT 26 27 51 52 CONECT 27 53 CONECT 28 29 54 55 CONECT 29 30 56 CONECT 30 31 CONECT 31 32 39 57 CONECT 32 33 58 59 CONECT 33 34 35 60 CONECT 34 61 62 CONECT 35 36 37 63 CONECT 36 64 CONECT 37 38 39 65 CONECT 38 66 67 68 END