COMPND HMDB0029533 HETATM 1 C1 UNL 1 -5.304 -1.620 -0.939 1.00 0.00 C HETATM 2 C2 UNL 1 -4.747 -0.462 -0.097 1.00 0.00 C HETATM 3 C3 UNL 1 -5.879 0.033 0.792 1.00 0.00 C HETATM 4 C4 UNL 1 -4.254 0.608 -0.974 1.00 0.00 C HETATM 5 C5 UNL 1 -2.997 0.986 -1.049 1.00 0.00 C HETATM 6 C6 UNL 1 -2.004 0.330 -0.230 1.00 0.00 C HETATM 7 C7 UNL 1 -2.386 -0.675 0.622 1.00 0.00 C HETATM 8 C8 UNL 1 -1.477 -1.361 1.435 1.00 0.00 C HETATM 9 C9 UNL 1 -0.153 -1.026 1.389 1.00 0.00 C HETATM 10 C10 UNL 1 0.246 -0.017 0.537 1.00 0.00 C HETATM 11 C11 UNL 1 1.662 0.344 0.540 1.00 0.00 C HETATM 12 C12 UNL 1 2.169 1.364 1.291 1.00 0.00 C HETATM 13 O1 UNL 1 3.446 1.598 1.291 1.00 0.00 O HETATM 14 C13 UNL 1 4.333 0.905 0.595 1.00 0.00 C HETATM 15 C14 UNL 1 5.674 1.201 0.634 1.00 0.00 C HETATM 16 C15 UNL 1 6.556 0.452 -0.108 1.00 0.00 C HETATM 17 O2 UNL 1 7.897 0.757 -0.058 1.00 0.00 O HETATM 18 C16 UNL 1 6.080 -0.590 -0.885 1.00 0.00 C HETATM 19 C17 UNL 1 4.734 -0.873 -0.911 1.00 0.00 C HETATM 20 C18 UNL 1 3.854 -0.134 -0.176 1.00 0.00 C HETATM 21 C19 UNL 1 2.504 -0.439 -0.221 1.00 0.00 C HETATM 22 O3 UNL 1 2.048 -1.374 -0.910 1.00 0.00 O HETATM 23 C20 UNL 1 -0.651 0.666 -0.269 1.00 0.00 C HETATM 24 O4 UNL 1 -0.215 1.678 -1.112 1.00 0.00 O HETATM 25 O5 UNL 1 -3.720 -1.031 0.680 1.00 0.00 O HETATM 26 H1 UNL 1 -6.343 -1.823 -0.649 1.00 0.00 H HETATM 27 H2 UNL 1 -5.191 -1.352 -2.009 1.00 0.00 H HETATM 28 H3 UNL 1 -4.708 -2.551 -0.803 1.00 0.00 H HETATM 29 H4 UNL 1 -5.586 1.044 1.155 1.00 0.00 H HETATM 30 H5 UNL 1 -5.973 -0.642 1.645 1.00 0.00 H HETATM 31 H6 UNL 1 -6.799 0.123 0.181 1.00 0.00 H HETATM 32 H7 UNL 1 -4.975 1.116 -1.601 1.00 0.00 H HETATM 33 H8 UNL 1 -2.725 1.778 -1.722 1.00 0.00 H HETATM 34 H9 UNL 1 -1.816 -2.149 2.098 1.00 0.00 H HETATM 35 H10 UNL 1 0.598 -1.540 2.018 1.00 0.00 H HETATM 36 H11 UNL 1 1.442 1.950 1.875 1.00 0.00 H HETATM 37 H12 UNL 1 6.004 2.009 1.255 1.00 0.00 H HETATM 38 H13 UNL 1 8.380 1.400 -0.656 1.00 0.00 H HETATM 39 H14 UNL 1 6.762 -1.189 -1.477 1.00 0.00 H HETATM 40 H15 UNL 1 4.350 -1.681 -1.514 1.00 0.00 H HETATM 41 H16 UNL 1 -0.838 2.188 -1.698 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 4 25 CONECT 3 29 30 31 CONECT 4 5 5 32 CONECT 5 6 33 CONECT 6 7 7 23 CONECT 7 8 25 CONECT 8 9 9 34 CONECT 9 10 35 CONECT 10 11 23 23 CONECT 11 12 12 21 CONECT 12 13 36 CONECT 13 14 CONECT 14 15 15 20 CONECT 15 16 37 CONECT 16 17 18 18 CONECT 17 38 CONECT 18 19 39 CONECT 19 20 20 40 CONECT 20 21 CONECT 21 22 22 CONECT 23 24 CONECT 24 41 END