COMPND HMDB0030583 HETATM 1 C1 UNL 1 -5.776 0.393 -2.961 1.00 0.00 C HETATM 2 O1 UNL 1 -6.140 -0.604 -2.013 1.00 0.00 O HETATM 3 C2 UNL 1 -5.538 -0.705 -0.775 1.00 0.00 C HETATM 4 C3 UNL 1 -4.542 0.159 -0.376 1.00 0.00 C HETATM 5 C4 UNL 1 -3.946 0.045 0.873 1.00 0.00 C HETATM 6 C5 UNL 1 -2.872 1.037 1.198 1.00 0.00 C HETATM 7 O2 UNL 1 -1.983 1.157 0.144 1.00 0.00 O HETATM 8 C6 UNL 1 -0.633 1.001 0.238 1.00 0.00 C HETATM 9 C7 UNL 1 0.187 0.699 -0.834 1.00 0.00 C HETATM 10 C8 UNL 1 1.550 0.549 -0.704 1.00 0.00 C HETATM 11 C9 UNL 1 2.421 0.225 -1.862 1.00 0.00 C HETATM 12 O3 UNL 1 3.554 1.056 -1.811 1.00 0.00 O HETATM 13 C10 UNL 1 4.787 0.700 -1.307 1.00 0.00 C HETATM 14 C11 UNL 1 5.687 1.575 -0.742 1.00 0.00 C HETATM 15 C12 UNL 1 6.912 1.114 -0.261 1.00 0.00 C HETATM 16 O4 UNL 1 7.818 2.026 0.313 1.00 0.00 O HETATM 17 C13 UNL 1 7.259 -0.208 -0.332 1.00 0.00 C HETATM 18 C14 UNL 1 6.355 -1.120 -0.905 1.00 0.00 C HETATM 19 O5 UNL 1 6.693 -2.446 -0.979 1.00 0.00 O HETATM 20 C15 UNL 1 5.168 -0.631 -1.364 1.00 0.00 C HETATM 21 C16 UNL 1 4.173 -1.525 -1.979 1.00 0.00 C HETATM 22 O6 UNL 1 4.536 -2.526 -2.635 1.00 0.00 O HETATM 23 C17 UNL 1 2.730 -1.245 -1.826 1.00 0.00 C HETATM 24 O7 UNL 1 2.063 -1.897 -2.881 1.00 0.00 O HETATM 25 C18 UNL 1 2.085 0.713 0.557 1.00 0.00 C HETATM 26 C19 UNL 1 1.282 1.017 1.654 1.00 0.00 C HETATM 27 C20 UNL 1 -0.071 1.161 1.502 1.00 0.00 C HETATM 28 O8 UNL 1 -0.960 1.465 2.542 1.00 0.00 O HETATM 29 C21 UNL 1 -2.236 0.803 2.506 1.00 0.00 C HETATM 30 C22 UNL 1 -3.006 1.412 3.664 1.00 0.00 C HETATM 31 O9 UNL 1 -2.292 1.139 4.828 1.00 0.00 O HETATM 32 C23 UNL 1 -4.374 -0.948 1.699 1.00 0.00 C HETATM 33 C24 UNL 1 -5.386 -1.826 1.294 1.00 0.00 C HETATM 34 C25 UNL 1 -5.977 -1.713 0.056 1.00 0.00 C HETATM 35 O10 UNL 1 -6.995 -2.595 -0.352 1.00 0.00 O HETATM 36 H1 UNL 1 -5.933 1.415 -2.560 1.00 0.00 H HETATM 37 H2 UNL 1 -6.281 0.255 -3.916 1.00 0.00 H HETATM 38 H3 UNL 1 -4.683 0.265 -3.141 1.00 0.00 H HETATM 39 H4 UNL 1 -4.212 0.954 -1.058 1.00 0.00 H HETATM 40 H5 UNL 1 -3.384 2.061 1.288 1.00 0.00 H HETATM 41 H6 UNL 1 -0.260 0.576 -1.814 1.00 0.00 H HETATM 42 H7 UNL 1 1.895 0.499 -2.825 1.00 0.00 H HETATM 43 H8 UNL 1 5.435 2.619 -0.675 1.00 0.00 H HETATM 44 H9 UNL 1 8.703 1.687 0.659 1.00 0.00 H HETATM 45 H10 UNL 1 8.192 -0.602 0.026 1.00 0.00 H HETATM 46 H11 UNL 1 6.126 -3.156 -1.339 1.00 0.00 H HETATM 47 H12 UNL 1 2.432 -1.651 -0.848 1.00 0.00 H HETATM 48 H13 UNL 1 2.476 -2.795 -3.008 1.00 0.00 H HETATM 49 H14 UNL 1 3.137 0.603 0.691 1.00 0.00 H HETATM 50 H15 UNL 1 1.707 1.146 2.650 1.00 0.00 H HETATM 51 H16 UNL 1 -2.062 -0.267 2.779 1.00 0.00 H HETATM 52 H17 UNL 1 -4.021 1.049 3.780 1.00 0.00 H HETATM 53 H18 UNL 1 -2.971 2.531 3.530 1.00 0.00 H HETATM 54 H19 UNL 1 -1.876 0.225 4.743 1.00 0.00 H HETATM 55 H20 UNL 1 -3.915 -1.050 2.678 1.00 0.00 H HETATM 56 H21 UNL 1 -5.706 -2.607 1.972 1.00 0.00 H HETATM 57 H22 UNL 1 -7.333 -3.330 0.219 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 CONECT 3 4 4 34 CONECT 4 5 39 CONECT 5 6 32 32 CONECT 6 7 29 40 CONECT 7 8 CONECT 8 9 9 27 CONECT 9 10 41 CONECT 10 11 25 25 CONECT 11 12 23 42 CONECT 12 13 CONECT 13 14 14 20 CONECT 14 15 43 CONECT 15 16 17 17 CONECT 16 44 CONECT 17 18 45 CONECT 18 19 20 20 CONECT 19 46 CONECT 20 21 CONECT 21 22 22 23 CONECT 23 24 47 CONECT 24 48 CONECT 25 26 49 CONECT 26 27 27 50 CONECT 27 28 CONECT 28 29 CONECT 29 30 51 CONECT 30 31 52 53 CONECT 31 54 CONECT 32 33 55 CONECT 33 34 34 56 CONECT 34 35 CONECT 35 57 END