COMPND HMDB0304920 HETATM 1 O1 UNL 1 -2.751 2.665 0.207 1.00 0.00 O HETATM 2 C1 UNL 1 -2.706 1.459 0.520 1.00 0.00 C HETATM 3 C2 UNL 1 -1.349 0.822 0.616 1.00 0.00 C HETATM 4 C3 UNL 1 -0.264 1.802 0.303 1.00 0.00 C HETATM 5 C4 UNL 1 1.070 1.139 0.420 1.00 0.00 C HETATM 6 C5 UNL 1 1.210 -0.024 -0.533 1.00 0.00 C HETATM 7 C6 UNL 1 2.540 -0.663 -0.415 1.00 0.00 C HETATM 8 C7 UNL 1 2.763 -1.702 0.468 1.00 0.00 C HETATM 9 C8 UNL 1 3.999 -2.299 0.580 1.00 0.00 C HETATM 10 C9 UNL 1 5.022 -1.851 -0.201 1.00 0.00 C HETATM 11 O2 UNL 1 6.280 -2.430 -0.114 1.00 0.00 O HETATM 12 C10 UNL 1 4.822 -0.821 -1.085 1.00 0.00 C HETATM 13 O3 UNL 1 5.885 -0.371 -1.882 1.00 0.00 O HETATM 14 S1 UNL 1 6.847 0.883 -1.222 1.00 0.00 S HETATM 15 O4 UNL 1 6.022 2.090 -0.942 1.00 0.00 O HETATM 16 O5 UNL 1 7.955 1.172 -2.200 1.00 0.00 O HETATM 17 O6 UNL 1 7.552 0.341 0.203 1.00 0.00 O HETATM 18 C11 UNL 1 3.584 -0.231 -1.190 1.00 0.00 C HETATM 19 N1 UNL 1 -3.896 0.750 0.767 1.00 0.00 N HETATM 20 C12 UNL 1 -3.855 -0.626 1.124 1.00 0.00 C HETATM 21 C13 UNL 1 -4.914 -1.481 0.523 1.00 0.00 C HETATM 22 C14 UNL 1 -6.199 -0.796 0.228 1.00 0.00 C HETATM 23 C15 UNL 1 -6.040 0.612 -0.269 1.00 0.00 C HETATM 24 C16 UNL 1 -5.164 1.426 0.656 1.00 0.00 C HETATM 25 H1 UNL 1 -1.175 0.434 1.640 1.00 0.00 H HETATM 26 H2 UNL 1 -1.333 0.015 -0.148 1.00 0.00 H HETATM 27 H3 UNL 1 -0.293 2.658 1.022 1.00 0.00 H HETATM 28 H4 UNL 1 -0.354 2.222 -0.723 1.00 0.00 H HETATM 29 H5 UNL 1 1.174 0.704 1.449 1.00 0.00 H HETATM 30 H6 UNL 1 1.896 1.863 0.254 1.00 0.00 H HETATM 31 H7 UNL 1 1.020 0.334 -1.549 1.00 0.00 H HETATM 32 H8 UNL 1 0.475 -0.836 -0.257 1.00 0.00 H HETATM 33 H9 UNL 1 1.915 -2.018 1.065 1.00 0.00 H HETATM 34 H10 UNL 1 4.153 -3.102 1.270 1.00 0.00 H HETATM 35 H11 UNL 1 6.481 -3.179 0.509 1.00 0.00 H HETATM 36 H12 UNL 1 7.555 1.039 0.913 1.00 0.00 H HETATM 37 H13 UNL 1 3.442 0.583 -1.894 1.00 0.00 H HETATM 38 H14 UNL 1 -3.877 -0.700 2.234 1.00 0.00 H HETATM 39 H15 UNL 1 -2.865 -1.052 0.807 1.00 0.00 H HETATM 40 H16 UNL 1 -5.138 -2.303 1.265 1.00 0.00 H HETATM 41 H17 UNL 1 -4.517 -2.032 -0.377 1.00 0.00 H HETATM 42 H18 UNL 1 -6.906 -0.813 1.090 1.00 0.00 H HETATM 43 H19 UNL 1 -6.718 -1.369 -0.591 1.00 0.00 H HETATM 44 H20 UNL 1 -7.062 1.089 -0.240 1.00 0.00 H HETATM 45 H21 UNL 1 -5.662 0.694 -1.285 1.00 0.00 H HETATM 46 H22 UNL 1 -5.594 1.487 1.680 1.00 0.00 H HETATM 47 H23 UNL 1 -5.027 2.415 0.219 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 19 CONECT 3 4 25 26 CONECT 4 5 27 28 CONECT 5 6 29 30 CONECT 6 7 31 32 CONECT 7 8 8 18 CONECT 8 9 33 CONECT 9 10 10 34 CONECT 10 11 12 CONECT 11 35 CONECT 12 13 18 18 CONECT 13 14 CONECT 14 15 15 16 16 CONECT 14 17 CONECT 17 36 CONECT 18 37 CONECT 19 20 24 CONECT 20 21 38 39 CONECT 21 22 40 41 CONECT 22 23 42 43 CONECT 23 24 44 45 CONECT 24 46 47 END