COMPND HMDB0038856 HETATM 1 O1 UNL 1 -1.240 1.237 -2.417 1.00 0.00 O HETATM 2 C1 UNL 1 -1.657 1.065 -1.252 1.00 0.00 C HETATM 3 C2 UNL 1 -1.418 -0.124 -0.603 1.00 0.00 C HETATM 4 C3 UNL 1 -0.694 -1.185 -1.285 1.00 0.00 C HETATM 5 C4 UNL 1 -1.408 -2.219 -1.843 1.00 0.00 C HETATM 6 O2 UNL 1 -2.818 -2.263 -1.772 1.00 0.00 O HETATM 7 C5 UNL 1 -0.711 -3.220 -2.480 1.00 0.00 C HETATM 8 C6 UNL 1 0.686 -3.177 -2.551 1.00 0.00 C HETATM 9 O3 UNL 1 1.385 -4.171 -3.184 1.00 0.00 O HETATM 10 C7 UNL 1 1.388 -2.134 -1.986 1.00 0.00 C HETATM 11 C8 UNL 1 2.757 -2.045 -2.027 1.00 0.00 C HETATM 12 O4 UNL 1 3.427 -2.938 -2.598 1.00 0.00 O HETATM 13 C9 UNL 1 3.426 -0.963 -1.435 1.00 0.00 C HETATM 14 C10 UNL 1 2.663 0.005 -0.814 1.00 0.00 C HETATM 15 C11 UNL 1 3.315 1.147 -0.184 1.00 0.00 C HETATM 16 C12 UNL 1 4.667 1.336 -0.150 1.00 0.00 C HETATM 17 C13 UNL 1 5.221 2.465 0.479 1.00 0.00 C HETATM 18 C14 UNL 1 4.400 3.396 1.067 1.00 0.00 C HETATM 19 O5 UNL 1 4.926 4.530 1.699 1.00 0.00 O HETATM 20 C15 UNL 1 3.036 3.209 1.034 1.00 0.00 C HETATM 21 C16 UNL 1 2.519 2.109 0.421 1.00 0.00 C HETATM 22 O6 UNL 1 1.361 -0.126 -0.803 1.00 0.00 O HETATM 23 C17 UNL 1 0.682 -1.123 -1.343 1.00 0.00 C HETATM 24 C18 UNL 1 -1.840 -0.401 0.684 1.00 0.00 C HETATM 25 C19 UNL 1 -1.565 -1.679 1.343 1.00 0.00 C HETATM 26 C20 UNL 1 -2.443 -2.735 1.405 1.00 0.00 C HETATM 27 C21 UNL 1 -2.114 -3.909 2.045 1.00 0.00 C HETATM 28 C22 UNL 1 -0.882 -4.078 2.656 1.00 0.00 C HETATM 29 O7 UNL 1 -0.550 -5.281 3.309 1.00 0.00 O HETATM 30 C23 UNL 1 -0.001 -3.028 2.598 1.00 0.00 C HETATM 31 C24 UNL 1 -0.351 -1.860 1.950 1.00 0.00 C HETATM 32 O8 UNL 1 -2.504 0.554 1.281 1.00 0.00 O HETATM 33 C25 UNL 1 -2.763 1.717 0.705 1.00 0.00 C HETATM 34 C26 UNL 1 -3.478 2.669 1.427 1.00 0.00 C HETATM 35 C27 UNL 1 -3.780 3.891 0.891 1.00 0.00 C HETATM 36 O9 UNL 1 -4.504 4.850 1.626 1.00 0.00 O HETATM 37 C28 UNL 1 -3.373 4.186 -0.377 1.00 0.00 C HETATM 38 C29 UNL 1 -2.647 3.263 -1.153 1.00 0.00 C HETATM 39 O10 UNL 1 -2.261 3.599 -2.413 1.00 0.00 O HETATM 40 C30 UNL 1 -2.361 2.042 -0.580 1.00 0.00 C HETATM 41 H1 UNL 1 -3.347 -1.556 -1.321 1.00 0.00 H HETATM 42 H2 UNL 1 -1.274 -4.039 -2.923 1.00 0.00 H HETATM 43 H3 UNL 1 0.987 -4.982 -3.635 1.00 0.00 H HETATM 44 H4 UNL 1 4.510 -0.947 -1.501 1.00 0.00 H HETATM 45 H5 UNL 1 5.332 0.616 -0.606 1.00 0.00 H HETATM 46 H6 UNL 1 6.295 2.583 0.489 1.00 0.00 H HETATM 47 H7 UNL 1 4.362 5.220 2.134 1.00 0.00 H HETATM 48 H8 UNL 1 2.394 3.944 1.497 1.00 0.00 H HETATM 49 H9 UNL 1 1.444 1.962 0.395 1.00 0.00 H HETATM 50 H10 UNL 1 -3.415 -2.669 0.951 1.00 0.00 H HETATM 51 H11 UNL 1 -2.786 -4.748 2.107 1.00 0.00 H HETATM 52 H12 UNL 1 -1.245 -6.002 3.311 1.00 0.00 H HETATM 53 H13 UNL 1 0.969 -3.141 3.069 1.00 0.00 H HETATM 54 H14 UNL 1 0.408 -1.066 1.949 1.00 0.00 H HETATM 55 H15 UNL 1 -3.797 2.410 2.450 1.00 0.00 H HETATM 56 H16 UNL 1 -3.953 5.502 2.196 1.00 0.00 H HETATM 57 H17 UNL 1 -3.595 5.145 -0.834 1.00 0.00 H HETATM 58 H18 UNL 1 -1.783 3.159 -3.097 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 40 CONECT 3 4 24 24 CONECT 4 5 5 23 CONECT 5 6 7 CONECT 6 41 CONECT 7 8 8 42 CONECT 8 9 10 CONECT 9 43 CONECT 10 11 23 23 CONECT 11 12 12 13 CONECT 13 14 14 44 CONECT 14 15 22 CONECT 15 16 16 21 CONECT 16 17 45 CONECT 17 18 18 46 CONECT 18 19 20 CONECT 19 47 CONECT 20 21 21 48 CONECT 21 49 CONECT 22 23 CONECT 24 25 32 CONECT 25 26 26 31 CONECT 26 27 50 CONECT 27 28 28 51 CONECT 28 29 30 CONECT 29 52 CONECT 30 31 31 53 CONECT 31 54 CONECT 32 33 CONECT 33 34 34 40 CONECT 34 35 55 CONECT 35 36 37 37 CONECT 36 56 CONECT 37 38 57 CONECT 38 39 40 40 CONECT 39 58 END