COMPND HMDB0041635 HETATM 1 O1 UNL 1 0.555 2.919 -0.778 1.00 0.00 O HETATM 2 C1 UNL 1 -0.392 2.212 -0.345 1.00 0.00 C HETATM 3 C2 UNL 1 -0.417 0.835 -0.512 1.00 0.00 C HETATM 4 O2 UNL 1 0.649 0.292 -1.165 1.00 0.00 O HETATM 5 C3 UNL 1 1.851 -0.065 -0.444 1.00 0.00 C HETATM 6 O3 UNL 1 2.684 1.072 -0.683 1.00 0.00 O HETATM 7 C4 UNL 1 3.790 1.020 0.172 1.00 0.00 C HETATM 8 C5 UNL 1 4.310 -0.423 0.261 1.00 0.00 C HETATM 9 O4 UNL 1 5.652 -0.466 0.546 1.00 0.00 O HETATM 10 C6 UNL 1 3.984 -1.042 -1.104 1.00 0.00 C HETATM 11 O5 UNL 1 4.221 -0.070 -2.063 1.00 0.00 O HETATM 12 C7 UNL 1 2.462 -1.259 -1.089 1.00 0.00 C HETATM 13 O6 UNL 1 2.230 -2.432 -0.355 1.00 0.00 O HETATM 14 C8 UNL 1 -1.455 0.121 -0.034 1.00 0.00 C HETATM 15 C9 UNL 1 -1.613 -1.318 -0.141 1.00 0.00 C HETATM 16 C10 UNL 1 -2.578 -1.946 0.638 1.00 0.00 C HETATM 17 C11 UNL 1 -2.839 -3.303 0.574 1.00 0.00 C HETATM 18 O7 UNL 1 -3.824 -3.833 1.395 1.00 0.00 O HETATM 19 C12 UNL 1 -2.132 -4.108 -0.289 1.00 0.00 C HETATM 20 O8 UNL 1 -2.364 -5.474 -0.381 1.00 0.00 O HETATM 21 C13 UNL 1 -1.162 -3.513 -1.080 1.00 0.00 C HETATM 22 O9 UNL 1 -0.453 -4.316 -1.946 1.00 0.00 O HETATM 23 C14 UNL 1 -0.924 -2.140 -0.992 1.00 0.00 C HETATM 24 O10 UNL 1 -2.426 0.779 0.594 1.00 0.00 O HETATM 25 C15 UNL 1 -2.436 2.067 0.770 1.00 0.00 C HETATM 26 C16 UNL 1 -3.481 2.686 1.433 1.00 0.00 C HETATM 27 C17 UNL 1 -3.497 4.049 1.623 1.00 0.00 C HETATM 28 O11 UNL 1 -4.555 4.669 2.294 1.00 0.00 O HETATM 29 C18 UNL 1 -2.444 4.828 1.141 1.00 0.00 C HETATM 30 C19 UNL 1 -1.390 4.231 0.476 1.00 0.00 C HETATM 31 O12 UNL 1 -0.319 4.984 -0.020 1.00 0.00 O HETATM 32 C20 UNL 1 -1.406 2.867 0.304 1.00 0.00 C HETATM 33 H1 UNL 1 1.673 -0.140 0.640 1.00 0.00 H HETATM 34 H2 UNL 1 4.597 1.599 -0.323 1.00 0.00 H HETATM 35 H3 UNL 1 3.604 1.453 1.155 1.00 0.00 H HETATM 36 H4 UNL 1 3.669 -0.952 0.993 1.00 0.00 H HETATM 37 H5 UNL 1 5.949 0.419 0.838 1.00 0.00 H HETATM 38 H6 UNL 1 4.528 -1.972 -1.277 1.00 0.00 H HETATM 39 H7 UNL 1 5.054 0.431 -1.933 1.00 0.00 H HETATM 40 H8 UNL 1 2.098 -1.366 -2.150 1.00 0.00 H HETATM 41 H9 UNL 1 1.944 -3.130 -1.013 1.00 0.00 H HETATM 42 H10 UNL 1 -3.156 -1.343 1.332 1.00 0.00 H HETATM 43 H11 UNL 1 -4.085 -4.788 1.424 1.00 0.00 H HETATM 44 H12 UNL 1 -3.049 -5.971 0.161 1.00 0.00 H HETATM 45 H13 UNL 1 -0.618 -5.301 -2.014 1.00 0.00 H HETATM 46 H14 UNL 1 -0.192 -1.748 -1.646 1.00 0.00 H HETATM 47 H15 UNL 1 -4.279 2.044 1.792 1.00 0.00 H HETATM 48 H16 UNL 1 -5.331 4.975 1.742 1.00 0.00 H HETATM 49 H17 UNL 1 -2.436 5.897 1.279 1.00 0.00 H HETATM 50 H18 UNL 1 -0.252 5.970 0.074 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 32 CONECT 3 4 14 14 CONECT 4 5 CONECT 5 6 12 33 CONECT 6 7 CONECT 7 8 34 35 CONECT 8 9 10 36 CONECT 9 37 CONECT 10 11 12 38 CONECT 11 39 CONECT 12 13 40 CONECT 13 41 CONECT 14 15 24 CONECT 15 16 16 23 CONECT 16 17 42 CONECT 17 18 19 19 CONECT 18 43 CONECT 19 20 21 CONECT 20 44 CONECT 21 22 23 23 CONECT 22 45 CONECT 23 46 CONECT 24 25 CONECT 25 26 26 32 CONECT 26 27 47 CONECT 27 28 29 29 CONECT 28 48 CONECT 29 30 49 CONECT 30 31 32 32 CONECT 31 50 END