COMPND HMDB0038846 HETATM 1 O1 UNL 1 1.630 0.739 2.035 1.00 0.00 O HETATM 2 C1 UNL 1 1.500 0.198 0.910 1.00 0.00 C HETATM 3 O2 UNL 1 0.281 -0.343 0.594 1.00 0.00 O HETATM 4 C2 UNL 1 -0.847 -0.342 1.432 1.00 0.00 C HETATM 5 C3 UNL 1 -1.222 -1.753 1.733 1.00 0.00 C HETATM 6 C4 UNL 1 -2.288 -2.318 0.920 1.00 0.00 C HETATM 7 C5 UNL 1 -2.658 -3.628 1.095 1.00 0.00 C HETATM 8 O3 UNL 1 -2.014 -4.404 2.043 1.00 0.00 O HETATM 9 C6 UNL 1 -3.676 -4.191 0.329 1.00 0.00 C HETATM 10 C7 UNL 1 -4.323 -3.437 -0.614 1.00 0.00 C HETATM 11 O4 UNL 1 -5.358 -3.959 -1.414 1.00 0.00 O HETATM 12 C8 UNL 1 -3.967 -2.135 -0.798 1.00 0.00 C HETATM 13 C9 UNL 1 -2.949 -1.580 -0.029 1.00 0.00 C HETATM 14 O5 UNL 1 -2.603 -0.254 -0.232 1.00 0.00 O HETATM 15 C10 UNL 1 -2.009 0.442 0.836 1.00 0.00 C HETATM 16 C11 UNL 1 -1.586 1.790 0.451 1.00 0.00 C HETATM 17 C12 UNL 1 -1.813 2.925 1.211 1.00 0.00 C HETATM 18 C13 UNL 1 -1.399 4.177 0.815 1.00 0.00 C HETATM 19 C14 UNL 1 -0.736 4.318 -0.377 1.00 0.00 C HETATM 20 O6 UNL 1 -0.315 5.564 -0.790 1.00 0.00 O HETATM 21 C15 UNL 1 -0.491 3.213 -1.164 1.00 0.00 C HETATM 22 C16 UNL 1 -0.914 1.966 -0.748 1.00 0.00 C HETATM 23 C17 UNL 1 2.653 0.179 0.014 1.00 0.00 C HETATM 24 C18 UNL 1 2.608 -0.389 -1.236 1.00 0.00 C HETATM 25 C19 UNL 1 3.740 -0.369 -2.028 1.00 0.00 C HETATM 26 O7 UNL 1 3.695 -0.943 -3.290 1.00 0.00 O HETATM 27 C20 UNL 1 4.935 0.206 -1.617 1.00 0.00 C HETATM 28 O8 UNL 1 6.045 0.197 -2.460 1.00 0.00 O HETATM 29 C21 UNL 1 4.967 0.772 -0.364 1.00 0.00 C HETATM 30 O9 UNL 1 6.137 1.362 0.100 1.00 0.00 O HETATM 31 C22 UNL 1 3.837 0.750 0.425 1.00 0.00 C HETATM 32 H1 UNL 1 -0.633 0.165 2.418 1.00 0.00 H HETATM 33 H2 UNL 1 -1.511 -1.877 2.819 1.00 0.00 H HETATM 34 H3 UNL 1 -0.334 -2.445 1.632 1.00 0.00 H HETATM 35 H4 UNL 1 -1.277 -4.041 2.615 1.00 0.00 H HETATM 36 H5 UNL 1 -3.971 -5.236 0.467 1.00 0.00 H HETATM 37 H6 UNL 1 -5.048 -4.383 -2.301 1.00 0.00 H HETATM 38 H7 UNL 1 -4.478 -1.542 -1.541 1.00 0.00 H HETATM 39 H8 UNL 1 -2.780 0.519 1.637 1.00 0.00 H HETATM 40 H9 UNL 1 -2.330 2.833 2.147 1.00 0.00 H HETATM 41 H10 UNL 1 -1.583 5.058 1.420 1.00 0.00 H HETATM 42 H11 UNL 1 0.616 5.864 -0.509 1.00 0.00 H HETATM 43 H12 UNL 1 0.036 3.380 -2.093 1.00 0.00 H HETATM 44 H13 UNL 1 -0.705 1.101 -1.396 1.00 0.00 H HETATM 45 H14 UNL 1 1.679 -0.836 -1.554 1.00 0.00 H HETATM 46 H15 UNL 1 4.512 -0.930 -3.868 1.00 0.00 H HETATM 47 H16 UNL 1 6.894 0.631 -2.110 1.00 0.00 H HETATM 48 H17 UNL 1 6.158 1.777 1.020 1.00 0.00 H HETATM 49 H18 UNL 1 3.897 1.210 1.417 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 23 CONECT 3 4 CONECT 4 5 15 32 CONECT 5 6 33 34 CONECT 6 7 7 13 CONECT 7 8 9 CONECT 8 35 CONECT 9 10 10 36 CONECT 10 11 12 CONECT 11 37 CONECT 12 13 13 38 CONECT 13 14 CONECT 14 15 CONECT 15 16 39 CONECT 16 17 17 22 CONECT 17 18 40 CONECT 18 19 19 41 CONECT 19 20 21 CONECT 20 42 CONECT 21 22 22 43 CONECT 22 44 CONECT 23 24 24 31 CONECT 24 25 45 CONECT 25 26 27 27 CONECT 26 46 CONECT 27 28 29 CONECT 28 47 CONECT 29 30 31 31 CONECT 30 48 CONECT 31 49 END