COMPND HMDB0030568 HETATM 1 O1 UNL 1 2.484 2.537 0.170 1.00 0.00 O HETATM 2 C1 UNL 1 2.365 1.322 0.209 1.00 0.00 C HETATM 3 C2 UNL 1 3.555 0.614 0.374 1.00 0.00 C HETATM 4 C3 UNL 1 4.733 1.324 0.476 1.00 0.00 C HETATM 5 C4 UNL 1 5.942 0.637 0.643 1.00 0.00 C HETATM 6 C5 UNL 1 5.913 -0.734 0.699 1.00 0.00 C HETATM 7 C6 UNL 1 4.718 -1.459 0.596 1.00 0.00 C HETATM 8 O2 UNL 1 4.691 -2.825 0.653 1.00 0.00 O HETATM 9 C7 UNL 1 3.535 -0.751 0.432 1.00 0.00 C HETATM 10 C8 UNL 1 2.331 -1.450 0.326 1.00 0.00 C HETATM 11 O3 UNL 1 2.469 -2.677 0.396 1.00 0.00 O HETATM 12 C9 UNL 1 1.174 -0.745 0.165 1.00 0.00 C HETATM 13 C10 UNL 1 1.166 0.677 0.102 1.00 0.00 C HETATM 14 C11 UNL 1 0.011 1.385 -0.059 1.00 0.00 C HETATM 15 C12 UNL 1 0.041 2.752 -0.116 1.00 0.00 C HETATM 16 O4 UNL 1 1.036 3.491 -0.035 1.00 0.00 O HETATM 17 C13 UNL 1 -1.156 3.442 -0.281 1.00 0.00 C HETATM 18 C14 UNL 1 -1.114 4.831 -0.337 1.00 0.00 C HETATM 19 O5 UNL 1 0.100 5.495 -0.229 1.00 0.00 O HETATM 20 C15 UNL 1 -2.299 5.570 -0.503 1.00 0.00 C HETATM 21 C16 UNL 1 -3.469 4.866 -0.604 1.00 0.00 C HETATM 22 C17 UNL 1 -3.524 3.490 -0.550 1.00 0.00 C HETATM 23 C18 UNL 1 -2.340 2.772 -0.385 1.00 0.00 C HETATM 24 C19 UNL 1 -2.367 1.377 -0.327 1.00 0.00 C HETATM 25 O6 UNL 1 -3.473 0.877 -0.430 1.00 0.00 O HETATM 26 C20 UNL 1 -1.215 0.673 -0.167 1.00 0.00 C HETATM 27 C21 UNL 1 -1.249 -0.708 -0.110 1.00 0.00 C HETATM 28 C22 UNL 1 -2.439 -1.365 -0.216 1.00 0.00 C HETATM 29 O7 UNL 1 -3.556 -0.871 -0.363 1.00 0.00 O HETATM 30 C23 UNL 1 -2.450 -2.762 -0.156 1.00 0.00 C HETATM 31 C24 UNL 1 -3.657 -3.462 -0.261 1.00 0.00 C HETATM 32 O8 UNL 1 -4.879 -2.888 -0.424 1.00 0.00 O HETATM 33 C25 UNL 1 -3.588 -4.869 -0.192 1.00 0.00 C HETATM 34 C26 UNL 1 -2.414 -5.535 -0.031 1.00 0.00 C HETATM 35 C27 UNL 1 -1.229 -4.836 0.073 1.00 0.00 C HETATM 36 C28 UNL 1 -1.292 -3.453 0.005 1.00 0.00 C HETATM 37 C29 UNL 1 -0.068 -2.767 0.113 1.00 0.00 C HETATM 38 O9 UNL 1 0.941 -3.453 0.257 1.00 0.00 O HETATM 39 C30 UNL 1 -0.024 -1.404 0.059 1.00 0.00 C HETATM 40 H1 UNL 1 4.750 2.404 0.431 1.00 0.00 H HETATM 41 H2 UNL 1 6.888 1.176 0.726 1.00 0.00 H HETATM 42 H3 UNL 1 6.811 -1.321 0.826 1.00 0.00 H HETATM 43 H4 UNL 1 5.472 -3.427 0.767 1.00 0.00 H HETATM 44 H5 UNL 1 0.205 6.481 -0.260 1.00 0.00 H HETATM 45 H6 UNL 1 -2.223 6.643 -0.541 1.00 0.00 H HETATM 46 H7 UNL 1 -4.415 5.412 -0.735 1.00 0.00 H HETATM 47 H8 UNL 1 -4.440 2.939 -0.629 1.00 0.00 H HETATM 48 H9 UNL 1 -5.289 -2.035 -0.508 1.00 0.00 H HETATM 49 H10 UNL 1 -4.523 -5.408 -0.274 1.00 0.00 H HETATM 50 H11 UNL 1 -2.362 -6.638 0.024 1.00 0.00 H HETATM 51 H12 UNL 1 -0.276 -5.342 0.202 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 13 CONECT 3 4 4 9 CONECT 4 5 40 CONECT 5 6 6 41 CONECT 6 7 42 CONECT 7 8 9 9 CONECT 8 43 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 13 39 CONECT 13 14 CONECT 14 15 26 26 CONECT 15 16 16 17 CONECT 17 18 18 23 CONECT 18 19 20 CONECT 19 44 CONECT 20 21 21 45 CONECT 21 22 46 CONECT 22 23 23 47 CONECT 23 24 CONECT 24 25 25 26 CONECT 26 27 CONECT 27 28 39 39 CONECT 28 29 29 30 CONECT 30 31 31 36 CONECT 31 32 33 CONECT 32 48 CONECT 33 34 34 49 CONECT 34 35 50 CONECT 35 36 36 51 CONECT 36 37 CONECT 37 38 38 39 END