COMPND HMDB0040835 HETATM 1 C1 UNL 1 -4.529 4.720 -1.753 1.00 0.00 C HETATM 2 O1 UNL 1 -3.271 4.597 -1.150 1.00 0.00 O HETATM 3 C2 UNL 1 -2.614 3.396 -0.985 1.00 0.00 C HETATM 4 C3 UNL 1 -3.146 2.205 -1.404 1.00 0.00 C HETATM 5 C4 UNL 1 -2.472 1.018 -1.229 1.00 0.00 C HETATM 6 C5 UNL 1 -1.255 1.049 -0.628 1.00 0.00 C HETATM 7 C6 UNL 1 -0.678 2.223 -0.189 1.00 0.00 C HETATM 8 C7 UNL 1 -1.368 3.402 -0.372 1.00 0.00 C HETATM 9 O2 UNL 1 -0.818 4.582 0.055 1.00 0.00 O HETATM 10 C8 UNL 1 -0.493 -0.199 -0.456 1.00 0.00 C HETATM 11 O3 UNL 1 0.673 -0.165 0.132 1.00 0.00 O HETATM 12 C9 UNL 1 1.423 -1.230 0.337 1.00 0.00 C HETATM 13 C10 UNL 1 2.641 -1.101 0.968 1.00 0.00 C HETATM 14 C11 UNL 1 3.081 0.226 1.392 1.00 0.00 C HETATM 15 C12 UNL 1 3.586 1.058 0.266 1.00 0.00 C HETATM 16 C13 UNL 1 4.791 1.566 0.210 1.00 0.00 C HETATM 17 C14 UNL 1 5.767 1.337 1.304 1.00 0.00 C HETATM 18 C15 UNL 1 5.210 2.382 -0.955 1.00 0.00 C HETATM 19 C16 UNL 1 3.386 -2.246 1.159 1.00 0.00 C HETATM 20 O4 UNL 1 4.643 -2.173 1.801 1.00 0.00 O HETATM 21 C17 UNL 1 2.925 -3.463 0.733 1.00 0.00 C HETATM 22 C18 UNL 1 1.678 -3.577 0.090 1.00 0.00 C HETATM 23 O5 UNL 1 1.283 -4.802 -0.304 1.00 0.00 O HETATM 24 C19 UNL 1 0.911 -2.436 -0.113 1.00 0.00 C HETATM 25 C20 UNL 1 -0.306 -2.526 -0.737 1.00 0.00 C HETATM 26 O6 UNL 1 -0.805 -3.592 -1.158 1.00 0.00 O HETATM 27 C21 UNL 1 -1.043 -1.369 -0.921 1.00 0.00 C HETATM 28 C22 UNL 1 -2.359 -1.414 -1.632 1.00 0.00 C HETATM 29 C23 UNL 1 -3.205 -2.435 -1.005 1.00 0.00 C HETATM 30 C24 UNL 1 -3.894 -2.318 0.106 1.00 0.00 C HETATM 31 C25 UNL 1 -4.700 -3.464 0.592 1.00 0.00 C HETATM 32 C26 UNL 1 -3.877 -1.058 0.875 1.00 0.00 C HETATM 33 O7 UNL 1 -3.021 -0.179 -1.652 1.00 0.00 O HETATM 34 H1 UNL 1 -4.561 4.038 -2.633 1.00 0.00 H HETATM 35 H2 UNL 1 -5.380 4.547 -1.066 1.00 0.00 H HETATM 36 H3 UNL 1 -4.605 5.740 -2.168 1.00 0.00 H HETATM 37 H4 UNL 1 -4.119 2.155 -1.889 1.00 0.00 H HETATM 38 H5 UNL 1 0.302 2.191 0.289 1.00 0.00 H HETATM 39 H6 UNL 1 0.087 4.590 0.500 1.00 0.00 H HETATM 40 H7 UNL 1 2.168 0.771 1.774 1.00 0.00 H HETATM 41 H8 UNL 1 3.785 0.176 2.243 1.00 0.00 H HETATM 42 H9 UNL 1 2.895 1.242 -0.548 1.00 0.00 H HETATM 43 H10 UNL 1 5.496 1.897 2.223 1.00 0.00 H HETATM 44 H11 UNL 1 6.790 1.679 1.036 1.00 0.00 H HETATM 45 H12 UNL 1 5.842 0.281 1.560 1.00 0.00 H HETATM 46 H13 UNL 1 4.509 2.249 -1.826 1.00 0.00 H HETATM 47 H14 UNL 1 5.154 3.469 -0.714 1.00 0.00 H HETATM 48 H15 UNL 1 6.242 2.164 -1.297 1.00 0.00 H HETATM 49 H16 UNL 1 5.150 -3.025 1.919 1.00 0.00 H HETATM 50 H17 UNL 1 3.524 -4.347 0.893 1.00 0.00 H HETATM 51 H18 UNL 1 0.557 -5.243 -0.739 1.00 0.00 H HETATM 52 H19 UNL 1 -2.149 -1.671 -2.724 1.00 0.00 H HETATM 53 H20 UNL 1 -3.269 -3.407 -1.526 1.00 0.00 H HETATM 54 H21 UNL 1 -5.613 -3.134 1.118 1.00 0.00 H HETATM 55 H22 UNL 1 -4.116 -4.136 1.263 1.00 0.00 H HETATM 56 H23 UNL 1 -5.045 -4.022 -0.321 1.00 0.00 H HETATM 57 H24 UNL 1 -4.501 -0.311 0.339 1.00 0.00 H HETATM 58 H25 UNL 1 -2.858 -0.675 1.083 1.00 0.00 H HETATM 59 H26 UNL 1 -4.429 -1.233 1.848 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 37 CONECT 5 6 6 33 CONECT 6 7 10 CONECT 7 8 8 38 CONECT 8 9 CONECT 9 39 CONECT 10 11 27 27 CONECT 11 12 CONECT 12 13 13 24 CONECT 13 14 19 CONECT 14 15 40 41 CONECT 15 16 16 42 CONECT 16 17 18 CONECT 17 43 44 45 CONECT 18 46 47 48 CONECT 19 20 21 21 CONECT 20 49 CONECT 21 22 50 CONECT 22 23 24 24 CONECT 23 51 CONECT 24 25 CONECT 25 26 26 27 CONECT 27 28 CONECT 28 29 33 52 CONECT 29 30 30 53 CONECT 30 31 32 CONECT 31 54 55 56 CONECT 32 57 58 59 END