COMPND HMDB0060940 HETATM 1 C1 UNL 1 8.410 -0.393 1.361 1.00 0.00 C HETATM 2 O1 UNL 1 7.214 -0.286 0.624 1.00 0.00 O HETATM 3 C2 UNL 1 6.182 0.560 0.993 1.00 0.00 C HETATM 4 C3 UNL 1 6.301 1.340 2.121 1.00 0.00 C HETATM 5 C4 UNL 1 5.286 2.199 2.521 1.00 0.00 C HETATM 6 C5 UNL 1 4.132 2.274 1.773 1.00 0.00 C HETATM 7 CL1 UNL 1 2.865 3.365 2.296 1.00 0.00 CL HETATM 8 C6 UNL 1 4.033 1.488 0.650 1.00 0.00 C HETATM 9 C7 UNL 1 5.040 0.622 0.235 1.00 0.00 C HETATM 10 C8 UNL 1 4.884 -0.195 -0.970 1.00 0.00 C HETATM 11 O2 UNL 1 5.902 -1.031 -1.338 1.00 0.00 O HETATM 12 N1 UNL 1 3.775 -0.087 -1.642 1.00 0.00 N HETATM 13 C9 UNL 1 3.532 -0.850 -2.840 1.00 0.00 C HETATM 14 C10 UNL 1 3.006 -2.200 -2.423 1.00 0.00 C HETATM 15 C11 UNL 1 1.741 -1.974 -1.657 1.00 0.00 C HETATM 16 C12 UNL 1 1.720 -1.795 -0.293 1.00 0.00 C HETATM 17 C13 UNL 1 0.546 -1.586 0.416 1.00 0.00 C HETATM 18 C14 UNL 1 -0.658 -1.552 -0.245 1.00 0.00 C HETATM 19 S1 UNL 1 -2.188 -1.290 0.592 1.00 0.00 S HETATM 20 O3 UNL 1 -2.109 -1.886 1.948 1.00 0.00 O HETATM 21 O4 UNL 1 -3.322 -1.925 -0.196 1.00 0.00 O HETATM 22 N2 UNL 1 -2.469 0.404 0.623 1.00 0.00 N HETATM 23 C15 UNL 1 -2.606 1.103 -0.595 1.00 0.00 C HETATM 24 O5 UNL 1 -1.460 1.470 -1.289 1.00 0.00 O HETATM 25 N3 UNL 1 -3.779 1.383 -1.034 1.00 0.00 N HETATM 26 C16 UNL 1 -4.934 0.989 -0.294 1.00 0.00 C HETATM 27 C17 UNL 1 -5.857 0.085 -1.094 1.00 0.00 C HETATM 28 C18 UNL 1 -6.789 -0.572 -0.102 1.00 0.00 C HETATM 29 C19 UNL 1 -6.856 0.158 1.203 1.00 0.00 C HETATM 30 C20 UNL 1 -6.845 1.645 1.072 1.00 0.00 C HETATM 31 O6 UNL 1 -8.116 2.094 0.689 1.00 0.00 O HETATM 32 C21 UNL 1 -5.770 2.169 0.157 1.00 0.00 C HETATM 33 C22 UNL 1 -0.643 -1.731 -1.614 1.00 0.00 C HETATM 34 C23 UNL 1 0.524 -1.939 -2.320 1.00 0.00 C HETATM 35 H1 UNL 1 8.999 -1.215 0.896 1.00 0.00 H HETATM 36 H2 UNL 1 8.993 0.544 1.267 1.00 0.00 H HETATM 37 H3 UNL 1 8.168 -0.653 2.414 1.00 0.00 H HETATM 38 H4 UNL 1 7.200 1.296 2.726 1.00 0.00 H HETATM 39 H5 UNL 1 5.442 2.788 3.424 1.00 0.00 H HETATM 40 H6 UNL 1 3.133 1.541 0.059 1.00 0.00 H HETATM 41 H7 UNL 1 6.019 -1.981 -1.030 1.00 0.00 H HETATM 42 H8 UNL 1 4.449 -1.027 -3.430 1.00 0.00 H HETATM 43 H9 UNL 1 2.743 -0.369 -3.450 1.00 0.00 H HETATM 44 H10 UNL 1 3.734 -2.747 -1.783 1.00 0.00 H HETATM 45 H11 UNL 1 2.845 -2.807 -3.328 1.00 0.00 H HETATM 46 H12 UNL 1 2.683 -1.823 0.225 1.00 0.00 H HETATM 47 H13 UNL 1 0.533 -1.446 1.480 1.00 0.00 H HETATM 48 H14 UNL 1 -2.536 0.905 1.526 1.00 0.00 H HETATM 49 H15 UNL 1 -0.590 1.692 -0.858 1.00 0.00 H HETATM 50 H16 UNL 1 -4.676 0.415 0.638 1.00 0.00 H HETATM 51 H17 UNL 1 -5.326 -0.617 -1.737 1.00 0.00 H HETATM 52 H18 UNL 1 -6.485 0.761 -1.724 1.00 0.00 H HETATM 53 H19 UNL 1 -6.343 -1.583 0.117 1.00 0.00 H HETATM 54 H20 UNL 1 -7.803 -0.721 -0.502 1.00 0.00 H HETATM 55 H21 UNL 1 -7.846 -0.118 1.671 1.00 0.00 H HETATM 56 H22 UNL 1 -6.100 -0.224 1.951 1.00 0.00 H HETATM 57 H23 UNL 1 -6.652 2.084 2.079 1.00 0.00 H HETATM 58 H24 UNL 1 -8.767 1.512 1.195 1.00 0.00 H HETATM 59 H25 UNL 1 -6.293 2.573 -0.750 1.00 0.00 H HETATM 60 H26 UNL 1 -5.153 2.954 0.635 1.00 0.00 H HETATM 61 H27 UNL 1 -1.582 -1.712 -2.183 1.00 0.00 H HETATM 62 H28 UNL 1 0.518 -2.078 -3.388 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 CONECT 3 4 4 9 CONECT 4 5 38 CONECT 5 6 6 39 CONECT 6 7 8 CONECT 8 9 9 40 CONECT 9 10 CONECT 10 11 12 12 CONECT 11 41 CONECT 12 13 CONECT 13 14 42 43 CONECT 14 15 44 45 CONECT 15 16 16 34 CONECT 16 17 46 CONECT 17 18 18 47 CONECT 18 19 33 CONECT 19 20 20 21 21 CONECT 19 22 CONECT 22 23 48 CONECT 23 24 25 25 CONECT 24 49 CONECT 25 26 CONECT 26 27 32 50 CONECT 27 28 51 52 CONECT 28 29 53 54 CONECT 29 30 55 56 CONECT 30 31 32 57 CONECT 31 58 CONECT 32 59 60 CONECT 33 34 34 61 CONECT 34 62 END