COMPND HMDB0029177 HETATM 1 C1 UNL 1 -3.314 2.314 -1.601 1.00 0.00 C HETATM 2 O1 UNL 1 -4.220 1.686 -0.704 1.00 0.00 O HETATM 3 C2 UNL 1 -3.734 0.694 0.135 1.00 0.00 C HETATM 4 C3 UNL 1 -2.387 0.316 0.104 1.00 0.00 C HETATM 5 C4 UNL 1 -1.883 -0.666 0.927 1.00 0.00 C HETATM 6 C5 UNL 1 -0.457 -1.085 0.913 1.00 0.00 C HETATM 7 O2 UNL 1 0.422 0.026 0.884 1.00 0.00 O HETATM 8 C6 UNL 1 1.711 -0.091 0.365 1.00 0.00 C HETATM 9 C7 UNL 1 2.803 0.512 0.917 1.00 0.00 C HETATM 10 C8 UNL 1 4.055 0.362 0.362 1.00 0.00 C HETATM 11 O3 UNL 1 5.195 0.937 0.863 1.00 0.00 O HETATM 12 S1 UNL 1 5.635 2.504 0.292 1.00 0.00 S HETATM 13 O4 UNL 1 6.474 2.378 -0.973 1.00 0.00 O HETATM 14 O5 UNL 1 4.201 3.375 0.009 1.00 0.00 O HETATM 15 C9 UNL 1 4.171 -0.425 -0.780 1.00 0.00 C HETATM 16 C10 UNL 1 3.084 -1.040 -1.351 1.00 0.00 C HETATM 17 O6 UNL 1 3.148 -1.833 -2.488 1.00 0.00 O HETATM 18 C11 UNL 1 1.844 -0.868 -0.769 1.00 0.00 C HETATM 19 C12 UNL 1 0.614 -1.492 -1.314 1.00 0.00 C HETATM 20 C13 UNL 1 -0.168 -2.086 -0.167 1.00 0.00 C HETATM 21 O7 UNL 1 -1.361 -2.649 -0.615 1.00 0.00 O HETATM 22 C14 UNL 1 -2.769 -1.277 1.801 1.00 0.00 C HETATM 23 C15 UNL 1 -4.102 -0.922 1.850 1.00 0.00 C HETATM 24 C16 UNL 1 -4.586 0.064 1.017 1.00 0.00 C HETATM 25 O8 UNL 1 -5.934 0.440 1.050 1.00 0.00 O HETATM 26 H1 UNL 1 -2.640 3.001 -1.066 1.00 0.00 H HETATM 27 H2 UNL 1 -2.749 1.528 -2.183 1.00 0.00 H HETATM 28 H3 UNL 1 -3.873 2.881 -2.397 1.00 0.00 H HETATM 29 H4 UNL 1 -1.713 0.802 -0.582 1.00 0.00 H HETATM 30 H5 UNL 1 -0.240 -1.606 1.892 1.00 0.00 H HETATM 31 H6 UNL 1 2.705 1.117 1.798 1.00 0.00 H HETATM 32 H7 UNL 1 4.432 4.291 -0.297 1.00 0.00 H HETATM 33 H8 UNL 1 5.136 -0.583 -1.267 1.00 0.00 H HETATM 34 H9 UNL 1 4.068 -1.952 -2.908 1.00 0.00 H HETATM 35 H10 UNL 1 0.936 -2.340 -1.959 1.00 0.00 H HETATM 36 H11 UNL 1 0.012 -0.794 -1.931 1.00 0.00 H HETATM 37 H12 UNL 1 0.450 -2.950 0.211 1.00 0.00 H HETATM 38 H13 UNL 1 -1.519 -2.279 -1.530 1.00 0.00 H HETATM 39 H14 UNL 1 -2.374 -2.058 2.457 1.00 0.00 H HETATM 40 H15 UNL 1 -4.804 -1.398 2.535 1.00 0.00 H HETATM 41 H16 UNL 1 -6.272 1.165 0.433 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 CONECT 3 4 4 24 CONECT 4 5 29 CONECT 5 6 22 22 CONECT 6 7 20 30 CONECT 7 8 CONECT 8 9 9 18 CONECT 9 10 31 CONECT 10 11 15 15 CONECT 11 12 CONECT 12 13 13 14 CONECT 14 32 CONECT 15 16 33 CONECT 16 17 18 18 CONECT 17 34 CONECT 18 19 CONECT 19 20 35 36 CONECT 20 21 37 CONECT 21 38 CONECT 22 23 39 CONECT 23 24 24 40 CONECT 24 25 CONECT 25 41 END