COMPND HMDB0240494 HETATM 1 O1 UNL 1 -6.408 -1.637 -2.646 1.00 0.00 O HETATM 2 C1 UNL 1 -6.926 -1.054 -1.677 1.00 0.00 C HETATM 3 O2 UNL 1 -8.263 -1.335 -1.367 1.00 0.00 O HETATM 4 C2 UNL 1 -6.219 -0.070 -0.816 1.00 0.00 C HETATM 5 O3 UNL 1 -4.941 0.069 -1.271 1.00 0.00 O HETATM 6 C3 UNL 1 -4.082 0.731 -0.416 1.00 0.00 C HETATM 7 O4 UNL 1 -3.148 -0.138 0.154 1.00 0.00 O HETATM 8 C4 UNL 1 -1.794 -0.090 -0.007 1.00 0.00 C HETATM 9 C5 UNL 1 -1.057 -1.066 0.663 1.00 0.00 C HETATM 10 C6 UNL 1 0.308 -1.116 0.574 1.00 0.00 C HETATM 11 C7 UNL 1 1.036 -0.214 -0.174 1.00 0.00 C HETATM 12 C8 UNL 1 2.484 -0.299 -0.244 1.00 0.00 C HETATM 13 C9 UNL 1 3.092 -0.170 -1.470 1.00 0.00 C HETATM 14 O5 UNL 1 4.408 -0.239 -1.587 1.00 0.00 O HETATM 15 C10 UNL 1 5.184 -0.432 -0.549 1.00 0.00 C HETATM 16 C11 UNL 1 6.558 -0.493 -0.757 1.00 0.00 C HETATM 17 C12 UNL 1 7.397 -0.692 0.298 1.00 0.00 C HETATM 18 O6 UNL 1 8.764 -0.747 0.047 1.00 0.00 O HETATM 19 S1 UNL 1 9.674 0.698 0.099 1.00 0.00 S HETATM 20 O7 UNL 1 11.137 0.394 0.157 1.00 0.00 O HETATM 21 O8 UNL 1 9.268 1.502 1.305 1.00 0.00 O HETATM 22 O9 UNL 1 9.294 1.571 -1.289 1.00 0.00 O HETATM 23 C13 UNL 1 6.901 -0.835 1.573 1.00 0.00 C HETATM 24 C14 UNL 1 5.529 -0.773 1.774 1.00 0.00 C HETATM 25 C15 UNL 1 4.678 -0.572 0.712 1.00 0.00 C HETATM 26 C16 UNL 1 3.294 -0.502 0.852 1.00 0.00 C HETATM 27 O10 UNL 1 2.791 -0.624 1.981 1.00 0.00 O HETATM 28 C17 UNL 1 0.314 0.749 -0.836 1.00 0.00 C HETATM 29 C18 UNL 1 -1.082 0.806 -0.749 1.00 0.00 C HETATM 30 C19 UNL 1 -4.770 1.488 0.680 1.00 0.00 C HETATM 31 O11 UNL 1 -5.329 2.655 0.162 1.00 0.00 O HETATM 32 C20 UNL 1 -5.768 0.655 1.444 1.00 0.00 C HETATM 33 O12 UNL 1 -5.363 0.338 2.717 1.00 0.00 O HETATM 34 C21 UNL 1 -6.141 -0.589 0.626 1.00 0.00 C HETATM 35 O13 UNL 1 -7.347 -1.121 1.043 1.00 0.00 O HETATM 36 H1 UNL 1 -8.818 -0.780 -0.743 1.00 0.00 H HETATM 37 H2 UNL 1 -6.772 0.901 -0.820 1.00 0.00 H HETATM 38 H3 UNL 1 -3.550 1.478 -1.029 1.00 0.00 H HETATM 39 H4 UNL 1 -1.564 -1.796 1.261 1.00 0.00 H HETATM 40 H5 UNL 1 0.872 -1.885 1.103 1.00 0.00 H HETATM 41 H6 UNL 1 2.513 -0.010 -2.362 1.00 0.00 H HETATM 42 H7 UNL 1 6.962 -0.383 -1.749 1.00 0.00 H HETATM 43 H8 UNL 1 8.540 2.178 -1.054 1.00 0.00 H HETATM 44 H9 UNL 1 7.570 -0.991 2.391 1.00 0.00 H HETATM 45 H10 UNL 1 5.107 -0.881 2.757 1.00 0.00 H HETATM 46 H11 UNL 1 0.855 1.482 -1.439 1.00 0.00 H HETATM 47 H12 UNL 1 -1.597 1.578 -1.285 1.00 0.00 H HETATM 48 H13 UNL 1 -3.991 1.801 1.408 1.00 0.00 H HETATM 49 H14 UNL 1 -4.716 2.960 -0.560 1.00 0.00 H HETATM 50 H15 UNL 1 -6.700 1.254 1.512 1.00 0.00 H HETATM 51 H16 UNL 1 -5.738 -0.520 3.042 1.00 0.00 H HETATM 52 H17 UNL 1 -5.288 -1.286 0.734 1.00 0.00 H HETATM 53 H18 UNL 1 -7.161 -1.949 1.591 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 36 CONECT 4 5 34 37 CONECT 5 6 CONECT 6 7 30 38 CONECT 7 8 CONECT 8 9 9 29 CONECT 9 10 39 CONECT 10 11 11 40 CONECT 11 12 28 CONECT 12 13 13 26 CONECT 13 14 41 CONECT 14 15 CONECT 15 16 16 25 CONECT 16 17 42 CONECT 17 18 23 23 CONECT 18 19 CONECT 19 20 20 21 21 CONECT 19 22 CONECT 22 43 CONECT 23 24 44 CONECT 24 25 25 45 CONECT 25 26 CONECT 26 27 27 CONECT 28 29 29 46 CONECT 29 47 CONECT 30 31 32 48 CONECT 31 49 CONECT 32 33 34 50 CONECT 33 51 CONECT 34 35 52 CONECT 35 53 END