COMPND HMDB0030243 HETATM 1 O1 UNL 1 4.714 3.086 -0.431 1.00 0.00 O HETATM 2 S1 UNL 1 3.719 3.159 0.694 1.00 0.00 S HETATM 3 O2 UNL 1 4.479 3.317 1.969 1.00 0.00 O HETATM 4 O3 UNL 1 2.748 4.524 0.503 1.00 0.00 O HETATM 5 O4 UNL 1 2.752 1.737 0.705 1.00 0.00 O HETATM 6 N1 UNL 1 1.594 1.785 1.417 1.00 0.00 N HETATM 7 C1 UNL 1 0.516 1.314 0.919 1.00 0.00 C HETATM 8 C2 UNL 1 0.533 0.721 -0.428 1.00 0.00 C HETATM 9 C3 UNL 1 1.847 0.500 -1.024 1.00 0.00 C HETATM 10 C4 UNL 1 2.422 1.301 -1.991 1.00 0.00 C HETATM 11 N2 UNL 1 3.640 0.806 -2.320 1.00 0.00 N HETATM 12 C5 UNL 1 3.890 -0.294 -1.606 1.00 0.00 C HETATM 13 C6 UNL 1 4.970 -1.148 -1.574 1.00 0.00 C HETATM 14 C7 UNL 1 4.927 -2.219 -0.710 1.00 0.00 C HETATM 15 C8 UNL 1 3.831 -2.432 0.103 1.00 0.00 C HETATM 16 C9 UNL 1 2.746 -1.580 0.076 1.00 0.00 C HETATM 17 C10 UNL 1 2.777 -0.496 -0.791 1.00 0.00 C HETATM 18 S2 UNL 1 -1.024 1.412 1.870 1.00 0.00 S HETATM 19 C11 UNL 1 -2.342 0.675 0.867 1.00 0.00 C HETATM 20 O5 UNL 1 -2.058 -0.674 0.747 1.00 0.00 O HETATM 21 C12 UNL 1 -2.911 -1.360 -0.084 1.00 0.00 C HETATM 22 C13 UNL 1 -2.638 -2.840 0.110 1.00 0.00 C HETATM 23 O6 UNL 1 -1.332 -3.173 -0.198 1.00 0.00 O HETATM 24 C14 UNL 1 -4.360 -1.110 0.146 1.00 0.00 C HETATM 25 O7 UNL 1 -4.988 -1.108 -1.121 1.00 0.00 O HETATM 26 C15 UNL 1 -4.705 0.155 0.830 1.00 0.00 C HETATM 27 O8 UNL 1 -5.066 1.138 -0.117 1.00 0.00 O HETATM 28 C16 UNL 1 -3.638 0.744 1.692 1.00 0.00 C HETATM 29 O9 UNL 1 -3.386 -0.012 2.838 1.00 0.00 O HETATM 30 H1 UNL 1 2.688 5.049 1.347 1.00 0.00 H HETATM 31 H2 UNL 1 -0.126 1.369 -1.062 1.00 0.00 H HETATM 32 H3 UNL 1 -0.062 -0.238 -0.348 1.00 0.00 H HETATM 33 H4 UNL 1 2.009 2.195 -2.447 1.00 0.00 H HETATM 34 H5 UNL 1 4.307 1.206 -3.026 1.00 0.00 H HETATM 35 H6 UNL 1 5.851 -1.028 -2.187 1.00 0.00 H HETATM 36 H7 UNL 1 5.763 -2.925 -0.650 1.00 0.00 H HETATM 37 H8 UNL 1 3.835 -3.288 0.771 1.00 0.00 H HETATM 38 H9 UNL 1 1.878 -1.749 0.719 1.00 0.00 H HETATM 39 H10 UNL 1 -2.465 1.185 -0.099 1.00 0.00 H HETATM 40 H11 UNL 1 -2.618 -1.111 -1.132 1.00 0.00 H HETATM 41 H12 UNL 1 -3.292 -3.456 -0.571 1.00 0.00 H HETATM 42 H13 UNL 1 -2.870 -3.176 1.135 1.00 0.00 H HETATM 43 H14 UNL 1 -1.010 -2.626 -0.975 1.00 0.00 H HETATM 44 H15 UNL 1 -4.852 -1.958 0.695 1.00 0.00 H HETATM 45 H16 UNL 1 -4.848 -0.262 -1.598 1.00 0.00 H HETATM 46 H17 UNL 1 -5.616 0.021 1.462 1.00 0.00 H HETATM 47 H18 UNL 1 -5.209 2.007 0.370 1.00 0.00 H HETATM 48 H19 UNL 1 -3.885 1.783 1.942 1.00 0.00 H HETATM 49 H20 UNL 1 -3.139 -0.929 2.560 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 30 CONECT 5 6 CONECT 6 7 7 CONECT 7 8 18 CONECT 8 9 31 32 CONECT 9 10 10 17 CONECT 10 11 33 CONECT 11 12 34 CONECT 12 13 13 17 CONECT 13 14 35 CONECT 14 15 15 36 CONECT 15 16 37 CONECT 16 17 17 38 CONECT 18 19 CONECT 19 20 28 39 CONECT 20 21 CONECT 21 22 24 40 CONECT 22 23 41 42 CONECT 23 43 CONECT 24 25 26 44 CONECT 25 45 CONECT 26 27 28 46 CONECT 27 47 CONECT 28 29 48 CONECT 29 49 END