COMPND HMDB0041850 HETATM 1 C1 UNL 1 -5.196 -3.247 -0.313 1.00 0.00 C HETATM 2 O1 UNL 1 -4.587 -2.003 -0.024 1.00 0.00 O HETATM 3 N1 UNL 1 -5.385 -0.889 -0.013 1.00 0.00 N HETATM 4 C2 UNL 1 -4.810 0.248 -0.365 1.00 0.00 C HETATM 5 C3 UNL 1 -3.425 0.280 -0.733 1.00 0.00 C HETATM 6 O2 UNL 1 -2.718 -0.949 -0.703 1.00 0.00 O HETATM 7 N2 UNL 1 -2.776 1.273 -1.077 1.00 0.00 N HETATM 8 C4 UNL 1 -1.431 1.476 -1.464 1.00 0.00 C HETATM 9 C5 UNL 1 -0.850 0.179 -1.967 1.00 0.00 C HETATM 10 O3 UNL 1 -0.976 -0.364 -3.104 1.00 0.00 O HETATM 11 N3 UNL 1 -0.198 -0.110 -0.770 1.00 0.00 N HETATM 12 C6 UNL 1 0.426 -1.083 0.080 1.00 0.00 C HETATM 13 C7 UNL 1 1.056 -2.205 -0.585 1.00 0.00 C HETATM 14 O4 UNL 1 0.975 -2.264 -1.876 1.00 0.00 O HETATM 15 O5 UNL 1 1.751 -3.249 -0.032 1.00 0.00 O HETATM 16 C8 UNL 1 0.424 -0.912 1.365 1.00 0.00 C HETATM 17 C9 UNL 1 1.055 -1.895 2.275 1.00 0.00 C HETATM 18 S1 UNL 1 2.420 -1.171 3.232 1.00 0.00 S HETATM 19 C10 UNL 1 3.733 -0.756 2.066 1.00 0.00 C HETATM 20 N4 UNL 1 3.762 -0.916 0.755 1.00 0.00 N HETATM 21 C11 UNL 1 4.809 -0.555 0.084 1.00 0.00 C HETATM 22 C12 UNL 1 4.899 -0.717 -1.423 1.00 0.00 C HETATM 23 C13 UNL 1 5.857 -0.014 0.787 1.00 0.00 C HETATM 24 C14 UNL 1 7.174 0.485 0.246 1.00 0.00 C HETATM 25 C15 UNL 1 6.925 1.812 -0.368 1.00 0.00 C HETATM 26 O6 UNL 1 5.791 2.356 -0.384 1.00 0.00 O HETATM 27 O7 UNL 1 7.960 2.532 -0.968 1.00 0.00 O HETATM 28 S2 UNL 1 5.259 -0.061 2.388 1.00 0.00 S HETATM 29 C16 UNL 1 -0.168 0.220 2.136 1.00 0.00 C HETATM 30 S3 UNL 1 -1.120 1.403 1.236 1.00 0.00 S HETATM 31 C17 UNL 1 -0.348 1.292 -0.427 1.00 0.00 C HETATM 32 C18 UNL 1 -5.645 1.486 -0.370 1.00 0.00 C HETATM 33 C19 UNL 1 -6.982 1.389 -0.003 1.00 0.00 C HETATM 34 S4 UNL 1 -7.521 2.996 -0.155 1.00 0.00 S HETATM 35 C20 UNL 1 -6.068 3.704 -0.665 1.00 0.00 C HETATM 36 N5 UNL 1 -5.807 4.959 -0.961 1.00 0.00 N HETATM 37 N6 UNL 1 -5.218 2.672 -0.698 1.00 0.00 N HETATM 38 H1 UNL 1 -5.040 -3.983 0.498 1.00 0.00 H HETATM 39 H2 UNL 1 -4.777 -3.690 -1.255 1.00 0.00 H HETATM 40 H3 UNL 1 -6.302 -3.157 -0.442 1.00 0.00 H HETATM 41 H4 UNL 1 -2.798 -1.608 -1.468 1.00 0.00 H HETATM 42 H5 UNL 1 -1.242 2.319 -2.171 1.00 0.00 H HETATM 43 H6 UNL 1 2.608 -3.627 -0.358 1.00 0.00 H HETATM 44 H7 UNL 1 0.254 -2.162 3.079 1.00 0.00 H HETATM 45 H8 UNL 1 1.313 -2.860 1.882 1.00 0.00 H HETATM 46 H9 UNL 1 5.192 -1.748 -1.657 1.00 0.00 H HETATM 47 H10 UNL 1 3.882 -0.571 -1.863 1.00 0.00 H HETATM 48 H11 UNL 1 5.541 0.061 -1.854 1.00 0.00 H HETATM 49 H12 UNL 1 7.887 0.550 1.075 1.00 0.00 H HETATM 50 H13 UNL 1 7.581 -0.210 -0.499 1.00 0.00 H HETATM 51 H14 UNL 1 8.930 2.196 -0.878 1.00 0.00 H HETATM 52 H15 UNL 1 0.726 0.760 2.572 1.00 0.00 H HETATM 53 H16 UNL 1 -0.702 -0.171 3.030 1.00 0.00 H HETATM 54 H17 UNL 1 0.502 1.947 -0.595 1.00 0.00 H HETATM 55 H18 UNL 1 -7.545 0.484 0.310 1.00 0.00 H HETATM 56 H19 UNL 1 -4.858 5.209 -1.256 1.00 0.00 H HETATM 57 H20 UNL 1 -4.197 2.858 -0.999 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 CONECT 3 4 4 CONECT 4 5 32 CONECT 5 6 7 7 CONECT 6 41 CONECT 7 8 CONECT 8 9 31 42 CONECT 9 10 10 11 CONECT 11 12 31 CONECT 12 13 16 16 CONECT 13 14 14 15 CONECT 15 43 CONECT 16 17 29 CONECT 17 18 44 45 CONECT 18 19 CONECT 19 20 20 28 CONECT 20 21 CONECT 21 22 23 23 CONECT 22 46 47 48 CONECT 23 24 28 CONECT 24 25 49 50 CONECT 25 26 26 27 CONECT 27 51 CONECT 29 30 52 53 CONECT 30 31 CONECT 31 54 CONECT 32 33 33 37 CONECT 33 34 55 CONECT 34 35 CONECT 35 36 36 37 CONECT 36 56 CONECT 37 57 END