COMPND HMDB0244391 HETATM 1 O1 UNL 1 -4.932 3.578 0.651 1.00 0.00 O HETATM 2 C1 UNL 1 -3.695 3.630 0.802 1.00 0.00 C HETATM 3 O2 UNL 1 -3.116 4.838 1.147 1.00 0.00 O HETATM 4 C2 UNL 1 -2.867 2.408 0.614 1.00 0.00 C HETATM 5 C3 UNL 1 -3.478 1.225 0.274 1.00 0.00 C HETATM 6 C4 UNL 1 -2.768 0.063 0.087 1.00 0.00 C HETATM 7 C5 UNL 1 -3.405 -1.199 -0.221 1.00 0.00 C HETATM 8 C6 UNL 1 -3.276 -2.305 0.629 1.00 0.00 C HETATM 9 C7 UNL 1 -3.921 -3.495 0.358 1.00 0.00 C HETATM 10 C8 UNL 1 -4.714 -3.631 -0.762 1.00 0.00 C HETATM 11 C9 UNL 1 -4.850 -2.556 -1.605 1.00 0.00 C HETATM 12 CL1 UNL 1 -5.862 -2.750 -3.020 1.00 0.00 CL HETATM 13 C10 UNL 1 -4.196 -1.360 -1.324 1.00 0.00 C HETATM 14 S1 UNL 1 -4.407 -0.075 -2.461 1.00 0.00 S HETATM 15 O3 UNL 1 -4.571 -0.682 -3.832 1.00 0.00 O HETATM 16 O4 UNL 1 -3.246 0.882 -2.463 1.00 0.00 O HETATM 17 O5 UNL 1 -5.805 0.780 -2.129 1.00 0.00 O HETATM 18 C11 UNL 1 -1.392 0.138 0.259 1.00 0.00 C HETATM 19 C12 UNL 1 -0.615 -0.959 0.082 1.00 0.00 C HETATM 20 C13 UNL 1 0.767 -0.824 0.256 1.00 0.00 C HETATM 21 C14 UNL 1 1.376 0.351 0.594 1.00 0.00 C HETATM 22 C15 UNL 1 2.766 0.409 0.740 1.00 0.00 C HETATM 23 C16 UNL 1 3.554 -0.803 0.614 1.00 0.00 C HETATM 24 C17 UNL 1 3.300 -1.750 1.623 1.00 0.00 C HETATM 25 C18 UNL 1 4.035 -2.900 1.659 1.00 0.00 C HETATM 26 C19 UNL 1 5.015 -3.125 0.714 1.00 0.00 C HETATM 27 C20 UNL 1 5.273 -2.215 -0.273 1.00 0.00 C HETATM 28 CL2 UNL 1 6.520 -2.544 -1.440 1.00 0.00 CL HETATM 29 C21 UNL 1 4.521 -1.039 -0.311 1.00 0.00 C HETATM 30 S2 UNL 1 4.833 0.030 -1.635 1.00 0.00 S HETATM 31 O6 UNL 1 4.662 1.461 -1.290 1.00 0.00 O HETATM 32 O7 UNL 1 6.288 -0.186 -2.065 1.00 0.00 O HETATM 33 O8 UNL 1 3.823 -0.360 -2.935 1.00 0.00 O HETATM 34 C22 UNL 1 3.294 1.628 1.070 1.00 0.00 C HETATM 35 C23 UNL 1 2.506 2.759 1.252 1.00 0.00 C HETATM 36 C24 UNL 1 3.105 4.037 1.597 1.00 0.00 C HETATM 37 O9 UNL 1 2.403 5.075 1.768 1.00 0.00 O HETATM 38 O10 UNL 1 4.481 4.094 1.736 1.00 0.00 O HETATM 39 N1 UNL 1 1.180 2.617 1.093 1.00 0.00 N HETATM 40 C25 UNL 1 0.580 1.459 0.771 1.00 0.00 C HETATM 41 C26 UNL 1 -0.802 1.362 0.606 1.00 0.00 C HETATM 42 N2 UNL 1 -1.546 2.458 0.774 1.00 0.00 N HETATM 43 H1 UNL 1 -2.990 5.595 0.466 1.00 0.00 H HETATM 44 H2 UNL 1 -4.575 1.220 0.167 1.00 0.00 H HETATM 45 H3 UNL 1 -2.653 -2.172 1.504 1.00 0.00 H HETATM 46 H4 UNL 1 -3.819 -4.360 1.027 1.00 0.00 H HETATM 47 H5 UNL 1 -5.235 -4.575 -0.987 1.00 0.00 H HETATM 48 H6 UNL 1 -6.613 0.236 -2.272 1.00 0.00 H HETATM 49 H7 UNL 1 -1.022 -1.917 -0.192 1.00 0.00 H HETATM 50 H8 UNL 1 1.359 -1.704 0.112 1.00 0.00 H HETATM 51 H9 UNL 1 2.533 -1.565 2.356 1.00 0.00 H HETATM 52 H10 UNL 1 3.825 -3.614 2.446 1.00 0.00 H HETATM 53 H11 UNL 1 5.562 -4.064 0.811 1.00 0.00 H HETATM 54 H12 UNL 1 3.504 0.482 -3.324 1.00 0.00 H HETATM 55 H13 UNL 1 4.366 1.758 1.240 1.00 0.00 H HETATM 56 H14 UNL 1 4.940 4.155 2.638 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 43 CONECT 4 5 5 42 CONECT 5 6 44 CONECT 6 7 18 18 CONECT 7 8 8 13 CONECT 8 9 45 CONECT 9 10 10 46 CONECT 10 11 47 CONECT 11 12 13 13 CONECT 13 14 CONECT 14 15 15 16 16 CONECT 14 17 CONECT 17 48 CONECT 18 19 41 CONECT 19 20 20 49 CONECT 20 21 50 CONECT 21 22 22 40 CONECT 22 23 34 CONECT 23 24 24 29 CONECT 24 25 51 CONECT 25 26 26 52 CONECT 26 27 53 CONECT 27 28 29 29 CONECT 29 30 CONECT 30 31 31 32 32 CONECT 30 33 CONECT 33 54 CONECT 34 35 35 55 CONECT 35 36 39 CONECT 36 37 37 38 CONECT 38 56 CONECT 39 40 40 CONECT 40 41 CONECT 41 42 42 END