COMPND HMDB0000972 HETATM 1 N1 UNL 1 -6.287 3.921 0.865 1.00 0.00 N HETATM 2 C1 UNL 1 -5.513 2.853 0.348 1.00 0.00 C HETATM 3 N2 UNL 1 -4.236 3.052 -0.049 1.00 0.00 N HETATM 4 C2 UNL 1 -3.483 2.057 -0.543 1.00 0.00 C HETATM 5 O1 UNL 1 -2.288 2.252 -0.913 1.00 0.00 O HETATM 6 C3 UNL 1 -3.986 0.782 -0.666 1.00 0.00 C HETATM 7 C4 UNL 1 -5.287 0.588 -0.260 1.00 0.00 C HETATM 8 N3 UNL 1 -6.025 1.614 0.237 1.00 0.00 N HETATM 9 N4 UNL 1 -5.837 -0.717 -0.374 1.00 0.00 N HETATM 10 C5 UNL 1 -4.911 -1.836 -0.467 1.00 0.00 C HETATM 11 C6 UNL 1 -3.858 -1.550 -1.507 1.00 0.00 C HETATM 12 C7 UNL 1 -2.826 -2.617 -1.608 1.00 0.00 C HETATM 13 N5 UNL 1 -2.117 -2.833 -0.370 1.00 0.00 N HETATM 14 C8 UNL 1 -2.563 -3.786 0.583 1.00 0.00 C HETATM 15 O2 UNL 1 -3.573 -4.487 0.321 1.00 0.00 O HETATM 16 C9 UNL 1 -0.953 -2.064 -0.082 1.00 0.00 C HETATM 17 C10 UNL 1 -0.914 -1.245 1.027 1.00 0.00 C HETATM 18 C11 UNL 1 0.204 -0.493 1.325 1.00 0.00 C HETATM 19 C12 UNL 1 1.302 -0.562 0.497 1.00 0.00 C HETATM 20 C13 UNL 1 2.476 0.225 0.799 1.00 0.00 C HETATM 21 O3 UNL 1 2.360 1.078 1.757 1.00 0.00 O HETATM 22 N6 UNL 1 3.685 0.084 0.101 1.00 0.00 N HETATM 23 C14 UNL 1 4.817 0.928 0.484 1.00 0.00 C HETATM 24 C15 UNL 1 5.964 0.116 0.930 1.00 0.00 C HETATM 25 C16 UNL 1 7.144 0.919 1.345 1.00 0.00 C HETATM 26 C17 UNL 1 7.795 1.722 0.314 1.00 0.00 C HETATM 27 O4 UNL 1 8.263 2.892 0.554 1.00 0.00 O HETATM 28 O5 UNL 1 7.956 1.268 -1.002 1.00 0.00 O HETATM 29 C18 UNL 1 5.129 1.712 -0.726 1.00 0.00 C HETATM 30 O6 UNL 1 5.014 1.112 -1.853 1.00 0.00 O HETATM 31 O7 UNL 1 5.519 3.026 -0.660 1.00 0.00 O HETATM 32 C19 UNL 1 1.291 -1.368 -0.613 1.00 0.00 C HETATM 33 C20 UNL 1 0.150 -2.114 -0.886 1.00 0.00 C HETATM 34 N7 UNL 1 -3.190 -0.289 -1.194 1.00 0.00 N HETATM 35 H1 UNL 1 -6.739 4.626 0.250 1.00 0.00 H HETATM 36 H2 UNL 1 -6.407 4.002 1.893 1.00 0.00 H HETATM 37 H3 UNL 1 -7.003 1.448 0.538 1.00 0.00 H HETATM 38 H4 UNL 1 -6.859 -0.854 -0.388 1.00 0.00 H HETATM 39 H5 UNL 1 -4.402 -1.914 0.516 1.00 0.00 H HETATM 40 H6 UNL 1 -5.442 -2.767 -0.716 1.00 0.00 H HETATM 41 H7 UNL 1 -4.362 -1.390 -2.507 1.00 0.00 H HETATM 42 H8 UNL 1 -2.071 -2.357 -2.384 1.00 0.00 H HETATM 43 H9 UNL 1 -3.261 -3.608 -1.917 1.00 0.00 H HETATM 44 H10 UNL 1 -2.031 -3.892 1.508 1.00 0.00 H HETATM 45 H11 UNL 1 -1.787 -1.212 1.656 1.00 0.00 H HETATM 46 H12 UNL 1 0.218 0.149 2.205 1.00 0.00 H HETATM 47 H13 UNL 1 3.794 -0.588 -0.658 1.00 0.00 H HETATM 48 H14 UNL 1 4.479 1.569 1.326 1.00 0.00 H HETATM 49 H15 UNL 1 6.280 -0.520 0.038 1.00 0.00 H HETATM 50 H16 UNL 1 5.703 -0.612 1.742 1.00 0.00 H HETATM 51 H17 UNL 1 6.874 1.646 2.183 1.00 0.00 H HETATM 52 H18 UNL 1 7.906 0.238 1.861 1.00 0.00 H HETATM 53 H19 UNL 1 8.692 0.591 -1.173 1.00 0.00 H HETATM 54 H20 UNL 1 5.098 3.591 0.094 1.00 0.00 H HETATM 55 H21 UNL 1 2.122 -1.458 -1.295 1.00 0.00 H HETATM 56 H22 UNL 1 0.153 -2.743 -1.759 1.00 0.00 H HETATM 57 H23 UNL 1 -2.172 -0.182 -1.353 1.00 0.00 H CONECT 1 2 35 36 CONECT 2 3 3 8 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 7 34 CONECT 7 8 9 CONECT 8 37 CONECT 9 10 38 CONECT 10 11 39 40 CONECT 11 12 34 41 CONECT 12 13 42 43 CONECT 13 14 16 CONECT 14 15 15 44 CONECT 16 17 17 33 CONECT 17 18 45 CONECT 18 19 19 46 CONECT 19 20 32 CONECT 20 21 21 22 CONECT 22 23 47 CONECT 23 24 29 48 CONECT 24 25 49 50 CONECT 25 26 51 52 CONECT 26 27 27 28 CONECT 28 53 CONECT 29 30 30 31 CONECT 31 54 CONECT 32 33 33 55 CONECT 33 56 CONECT 34 57 END