COMPND HMDB0040140 HETATM 1 O1 UNL 1 3.391 4.934 -0.426 1.00 0.00 O HETATM 2 C1 UNL 1 2.980 3.709 0.106 1.00 0.00 C HETATM 3 C2 UNL 1 3.655 3.072 1.103 1.00 0.00 C HETATM 4 C3 UNL 1 3.164 1.845 1.571 1.00 0.00 C HETATM 5 C4 UNL 1 2.045 1.243 1.088 1.00 0.00 C HETATM 6 C5 UNL 1 1.521 -0.052 1.552 1.00 0.00 C HETATM 7 O2 UNL 1 1.031 -0.805 0.437 1.00 0.00 O HETATM 8 C6 UNL 1 1.847 -1.532 -0.392 1.00 0.00 C HETATM 9 C7 UNL 1 1.347 -2.014 -1.623 1.00 0.00 C HETATM 10 C8 UNL 1 -0.025 -1.706 -1.987 1.00 0.00 C HETATM 11 C9 UNL 1 -1.042 -2.390 -1.153 1.00 0.00 C HETATM 12 C10 UNL 1 -1.154 -3.755 -1.207 1.00 0.00 C HETATM 13 O3 UNL 1 -0.331 -4.574 -1.988 1.00 0.00 O HETATM 14 C11 UNL 1 -2.146 -4.351 -0.436 1.00 0.00 C HETATM 15 C12 UNL 1 -2.989 -3.609 0.354 1.00 0.00 C HETATM 16 O4 UNL 1 -3.958 -4.249 1.102 1.00 0.00 O HETATM 17 C13 UNL 1 -2.866 -2.214 0.401 1.00 0.00 C HETATM 18 C14 UNL 1 -1.895 -1.611 -0.353 1.00 0.00 C HETATM 19 O5 UNL 1 -1.764 -0.207 -0.323 1.00 0.00 O HETATM 20 C15 UNL 1 -2.950 0.479 0.107 1.00 0.00 C HETATM 21 C16 UNL 1 -2.764 1.935 0.121 1.00 0.00 C HETATM 22 C17 UNL 1 -2.998 2.779 1.177 1.00 0.00 C HETATM 23 C18 UNL 1 -2.829 4.146 1.124 1.00 0.00 C HETATM 24 C19 UNL 1 -2.398 4.720 -0.053 1.00 0.00 C HETATM 25 O6 UNL 1 -2.223 6.081 -0.130 1.00 0.00 O HETATM 26 C20 UNL 1 -2.154 3.909 -1.128 1.00 0.00 C HETATM 27 O7 UNL 1 -1.722 4.504 -2.305 1.00 0.00 O HETATM 28 C21 UNL 1 -2.330 2.529 -1.056 1.00 0.00 C HETATM 29 C22 UNL 1 -3.477 -0.082 1.400 1.00 0.00 C HETATM 30 O8 UNL 1 -4.684 0.608 1.646 1.00 0.00 O HETATM 31 C23 UNL 1 -3.823 -1.525 1.285 1.00 0.00 C HETATM 32 C24 UNL 1 2.177 -2.746 -2.460 1.00 0.00 C HETATM 33 O9 UNL 1 1.715 -3.209 -3.645 1.00 0.00 O HETATM 34 C25 UNL 1 3.458 -2.980 -2.061 1.00 0.00 C HETATM 35 C26 UNL 1 3.956 -2.522 -0.873 1.00 0.00 C HETATM 36 O10 UNL 1 5.264 -2.748 -0.441 1.00 0.00 O HETATM 37 C27 UNL 1 3.144 -1.786 -0.021 1.00 0.00 C HETATM 38 C28 UNL 1 3.663 -1.285 1.268 1.00 0.00 C HETATM 39 C29 UNL 1 2.619 -0.848 2.226 1.00 0.00 C HETATM 40 O11 UNL 1 1.974 -1.985 2.783 1.00 0.00 O HETATM 41 C30 UNL 1 1.374 1.925 0.062 1.00 0.00 C HETATM 42 C31 UNL 1 1.842 3.131 -0.409 1.00 0.00 C HETATM 43 O12 UNL 1 1.146 3.782 -1.433 1.00 0.00 O HETATM 44 H1 UNL 1 4.206 5.401 -0.095 1.00 0.00 H HETATM 45 H2 UNL 1 4.547 3.502 1.522 1.00 0.00 H HETATM 46 H3 UNL 1 3.718 1.355 2.376 1.00 0.00 H HETATM 47 H4 UNL 1 0.653 0.135 2.207 1.00 0.00 H HETATM 48 H5 UNL 1 -0.149 -0.593 -1.869 1.00 0.00 H HETATM 49 H6 UNL 1 -0.299 -1.917 -3.033 1.00 0.00 H HETATM 50 H7 UNL 1 -0.459 -5.575 -2.000 1.00 0.00 H HETATM 51 H8 UNL 1 -2.222 -5.444 -0.491 1.00 0.00 H HETATM 52 H9 UNL 1 -4.056 -5.247 1.078 1.00 0.00 H HETATM 53 H10 UNL 1 -3.744 0.197 -0.664 1.00 0.00 H HETATM 54 H11 UNL 1 -3.329 2.377 2.120 1.00 0.00 H HETATM 55 H12 UNL 1 -3.022 4.784 1.975 1.00 0.00 H HETATM 56 H13 UNL 1 -2.386 6.710 0.621 1.00 0.00 H HETATM 57 H14 UNL 1 -1.538 3.937 -3.100 1.00 0.00 H HETATM 58 H15 UNL 1 -2.116 1.957 -1.949 1.00 0.00 H HETATM 59 H16 UNL 1 -2.769 0.058 2.239 1.00 0.00 H HETATM 60 H17 UNL 1 -5.388 0.139 1.138 1.00 0.00 H HETATM 61 H18 UNL 1 -3.710 -1.986 2.311 1.00 0.00 H HETATM 62 H19 UNL 1 -4.875 -1.682 0.920 1.00 0.00 H HETATM 63 H20 UNL 1 0.851 -3.148 -4.099 1.00 0.00 H HETATM 64 H21 UNL 1 4.144 -3.557 -2.697 1.00 0.00 H HETATM 65 H22 UNL 1 5.886 -3.280 -1.036 1.00 0.00 H HETATM 66 H23 UNL 1 4.447 -0.516 1.129 1.00 0.00 H HETATM 67 H24 UNL 1 4.191 -2.162 1.756 1.00 0.00 H HETATM 68 H25 UNL 1 3.073 -0.333 3.076 1.00 0.00 H HETATM 69 H26 UNL 1 1.624 -1.767 3.685 1.00 0.00 H HETATM 70 H27 UNL 1 0.485 1.446 -0.320 1.00 0.00 H HETATM 71 H28 UNL 1 1.447 4.664 -1.812 1.00 0.00 H CONECT 1 2 44 CONECT 2 3 3 42 CONECT 3 4 45 CONECT 4 5 5 46 CONECT 5 6 41 CONECT 6 7 39 47 CONECT 7 8 CONECT 8 9 9 37 CONECT 9 10 32 CONECT 10 11 48 49 CONECT 11 12 12 18 CONECT 12 13 14 CONECT 13 50 CONECT 14 15 15 51 CONECT 15 16 17 CONECT 16 52 CONECT 17 18 18 31 CONECT 18 19 CONECT 19 20 CONECT 20 21 29 53 CONECT 21 22 22 28 CONECT 22 23 54 CONECT 23 24 24 55 CONECT 24 25 26 CONECT 25 56 CONECT 26 27 28 28 CONECT 27 57 CONECT 28 58 CONECT 29 30 31 59 CONECT 30 60 CONECT 31 61 62 CONECT 32 33 34 34 CONECT 33 63 CONECT 34 35 64 CONECT 35 36 37 37 CONECT 36 65 CONECT 37 38 CONECT 38 39 66 67 CONECT 39 40 68 CONECT 40 69 CONECT 41 42 42 70 CONECT 42 43 CONECT 43 71 END