COMPND HMDB0033542 HETATM 1 O1 UNL 1 -2.500 2.896 0.873 1.00 0.00 O HETATM 2 C1 UNL 1 -1.459 2.231 0.657 1.00 0.00 C HETATM 3 O2 UNL 1 -0.176 2.697 0.791 1.00 0.00 O HETATM 4 C2 UNL 1 0.726 1.663 0.459 1.00 0.00 C HETATM 5 C3 UNL 1 2.046 1.765 0.482 1.00 0.00 C HETATM 6 C4 UNL 1 2.624 3.039 0.886 1.00 0.00 C HETATM 7 O3 UNL 1 1.896 3.985 1.203 1.00 0.00 O HETATM 8 O4 UNL 1 3.991 3.167 0.905 1.00 0.00 O HETATM 9 C5 UNL 1 2.888 0.646 0.077 1.00 0.00 C HETATM 10 C6 UNL 1 3.831 0.225 0.985 1.00 0.00 C HETATM 11 C7 UNL 1 4.738 -0.796 0.744 1.00 0.00 C HETATM 12 C8 UNL 1 4.673 -1.419 -0.496 1.00 0.00 C HETATM 13 O5 UNL 1 5.547 -2.444 -0.799 1.00 0.00 O HETATM 14 C9 UNL 1 3.745 -1.016 -1.412 1.00 0.00 C HETATM 15 C10 UNL 1 2.849 0.016 -1.133 1.00 0.00 C HETATM 16 C11 UNL 1 -0.100 0.510 0.108 1.00 0.00 C HETATM 17 O6 UNL 1 0.348 -0.734 -0.279 1.00 0.00 O HETATM 18 C12 UNL 1 -1.393 0.833 0.219 1.00 0.00 C HETATM 19 C13 UNL 1 -2.582 0.038 -0.053 1.00 0.00 C HETATM 20 C14 UNL 1 -3.586 0.022 0.926 1.00 0.00 C HETATM 21 C15 UNL 1 -4.752 -0.693 0.743 1.00 0.00 C HETATM 22 O7 UNL 1 -5.779 -0.746 1.683 1.00 0.00 O HETATM 23 C16 UNL 1 -4.923 -1.403 -0.432 1.00 0.00 C HETATM 24 O8 UNL 1 -6.090 -2.131 -0.636 1.00 0.00 O HETATM 25 C17 UNL 1 -3.952 -1.413 -1.430 1.00 0.00 C HETATM 26 O9 UNL 1 -4.158 -2.135 -2.597 1.00 0.00 O HETATM 27 C18 UNL 1 -2.791 -0.673 -1.193 1.00 0.00 C HETATM 28 H1 UNL 1 4.586 3.054 0.096 1.00 0.00 H HETATM 29 H2 UNL 1 3.871 0.716 1.945 1.00 0.00 H HETATM 30 H3 UNL 1 5.457 -1.080 1.498 1.00 0.00 H HETATM 31 H4 UNL 1 5.353 -3.415 -0.615 1.00 0.00 H HETATM 32 H5 UNL 1 3.705 -1.515 -2.389 1.00 0.00 H HETATM 33 H6 UNL 1 2.138 0.337 -1.877 1.00 0.00 H HETATM 34 H7 UNL 1 0.147 -1.126 -1.176 1.00 0.00 H HETATM 35 H8 UNL 1 -3.475 0.566 1.846 1.00 0.00 H HETATM 36 H9 UNL 1 -5.729 -0.218 2.555 1.00 0.00 H HETATM 37 H10 UNL 1 -6.266 -2.667 -1.475 1.00 0.00 H HETATM 38 H11 UNL 1 -3.413 -2.112 -3.317 1.00 0.00 H HETATM 39 H12 UNL 1 -2.037 -0.672 -1.963 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 18 CONECT 3 4 CONECT 4 5 5 16 CONECT 5 6 9 CONECT 6 7 7 8 CONECT 8 28 CONECT 9 10 10 15 CONECT 10 11 29 CONECT 11 12 12 30 CONECT 12 13 14 CONECT 13 31 CONECT 14 15 15 32 CONECT 15 33 CONECT 16 17 18 18 CONECT 17 34 CONECT 18 19 CONECT 19 20 20 27 CONECT 20 21 35 CONECT 21 22 23 23 CONECT 22 36 CONECT 23 24 25 CONECT 24 37 CONECT 25 26 27 27 CONECT 26 38 CONECT 27 39 END