COMPND HMDB0254770 HETATM 1 C1 UNL 1 6.946 -1.243 -0.667 1.00 0.00 C HETATM 2 C2 UNL 1 5.672 -1.292 0.198 1.00 0.00 C HETATM 3 S1 UNL 1 4.412 -2.202 -0.613 1.00 0.00 S HETATM 4 O1 UNL 1 4.121 -1.524 -1.962 1.00 0.00 O HETATM 5 O2 UNL 1 4.907 -3.585 -0.993 1.00 0.00 O HETATM 6 N1 UNL 1 2.964 -2.358 0.250 1.00 0.00 N HETATM 7 C3 UNL 1 2.100 -1.322 0.682 1.00 0.00 C HETATM 8 C4 UNL 1 2.534 -0.283 1.471 1.00 0.00 C HETATM 9 C5 UNL 1 1.613 0.660 1.852 1.00 0.00 C HETATM 10 C6 UNL 1 0.261 0.606 1.475 1.00 0.00 C HETATM 11 O3 UNL 1 -0.583 1.642 1.929 1.00 0.00 O HETATM 12 C7 UNL 1 -1.215 2.516 1.079 1.00 0.00 C HETATM 13 C8 UNL 1 -2.568 2.671 1.083 1.00 0.00 C HETATM 14 C9 UNL 1 -3.227 3.552 0.227 1.00 0.00 C HETATM 15 C10 UNL 1 -2.498 4.298 -0.659 1.00 0.00 C HETATM 16 F1 UNL 1 -3.129 5.158 -1.495 1.00 0.00 F HETATM 17 C11 UNL 1 -1.119 4.166 -0.690 1.00 0.00 C HETATM 18 C12 UNL 1 -0.490 3.289 0.165 1.00 0.00 C HETATM 19 F2 UNL 1 0.845 3.134 0.163 1.00 0.00 F HETATM 20 C13 UNL 1 -0.121 -0.440 0.699 1.00 0.00 C HETATM 21 C14 UNL 1 -1.511 -0.615 0.302 1.00 0.00 C HETATM 22 C15 UNL 1 -2.535 -0.622 1.215 1.00 0.00 C HETATM 23 N2 UNL 1 -3.812 -0.828 0.841 1.00 0.00 N HETATM 24 C16 UNL 1 -4.900 -0.833 1.828 1.00 0.00 C HETATM 25 C17 UNL 1 -4.086 -1.032 -0.460 1.00 0.00 C HETATM 26 O4 UNL 1 -5.249 -1.230 -0.875 1.00 0.00 O HETATM 27 C18 UNL 1 -3.066 -1.031 -1.410 1.00 0.00 C HETATM 28 N3 UNL 1 -3.054 -1.205 -2.753 1.00 0.00 N HETATM 29 C19 UNL 1 -1.798 -1.112 -3.228 1.00 0.00 C HETATM 30 C20 UNL 1 -0.944 -0.869 -2.173 1.00 0.00 C HETATM 31 C21 UNL 1 -1.758 -0.821 -1.043 1.00 0.00 C HETATM 32 C22 UNL 1 0.782 -1.414 0.291 1.00 0.00 C HETATM 33 H1 UNL 1 6.747 -1.610 -1.681 1.00 0.00 H HETATM 34 H2 UNL 1 7.346 -0.214 -0.662 1.00 0.00 H HETATM 35 H3 UNL 1 7.722 -1.886 -0.213 1.00 0.00 H HETATM 36 H4 UNL 1 5.348 -0.235 0.380 1.00 0.00 H HETATM 37 H5 UNL 1 5.906 -1.740 1.174 1.00 0.00 H HETATM 38 H6 UNL 1 2.631 -3.336 0.519 1.00 0.00 H HETATM 39 H7 UNL 1 3.579 -0.208 1.805 1.00 0.00 H HETATM 40 H8 UNL 1 1.921 1.490 2.472 1.00 0.00 H HETATM 41 H9 UNL 1 -3.172 2.109 1.768 1.00 0.00 H HETATM 42 H10 UNL 1 -4.295 3.623 0.285 1.00 0.00 H HETATM 43 H11 UNL 1 -0.580 4.770 -1.399 1.00 0.00 H HETATM 44 H12 UNL 1 -2.377 -0.462 2.282 1.00 0.00 H HETATM 45 H13 UNL 1 -4.806 -1.766 2.416 1.00 0.00 H HETATM 46 H14 UNL 1 -5.869 -0.803 1.293 1.00 0.00 H HETATM 47 H15 UNL 1 -4.770 0.014 2.531 1.00 0.00 H HETATM 48 H16 UNL 1 -3.933 -1.388 -3.316 1.00 0.00 H HETATM 49 H17 UNL 1 -1.457 -1.205 -4.254 1.00 0.00 H HETATM 50 H18 UNL 1 0.135 -0.737 -2.189 1.00 0.00 H HETATM 51 H19 UNL 1 0.427 -2.246 -0.341 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 36 37 CONECT 3 4 4 5 5 CONECT 3 6 CONECT 6 7 38 CONECT 7 8 8 32 CONECT 8 9 39 CONECT 9 10 10 40 CONECT 10 11 20 CONECT 11 12 CONECT 12 13 13 18 CONECT 13 14 41 CONECT 14 15 15 42 CONECT 15 16 17 CONECT 17 18 18 43 CONECT 18 19 CONECT 20 21 32 32 CONECT 21 22 22 31 CONECT 22 23 44 CONECT 23 24 25 CONECT 24 45 46 47 CONECT 25 26 26 27 CONECT 27 28 31 31 CONECT 28 29 48 CONECT 29 30 30 49 CONECT 30 31 50 CONECT 32 51 END