COMPND HMDB0041381 HETATM 1 C1 UNL 1 0.058 -5.062 -0.999 1.00 0.00 C HETATM 2 O1 UNL 1 0.102 -3.700 -0.637 1.00 0.00 O HETATM 3 C2 UNL 1 -0.961 -2.846 -0.622 1.00 0.00 C HETATM 4 C3 UNL 1 -2.228 -3.268 -0.977 1.00 0.00 C HETATM 5 C4 UNL 1 -3.308 -2.425 -0.965 1.00 0.00 C HETATM 6 O2 UNL 1 -4.591 -2.852 -1.325 1.00 0.00 O HETATM 7 C5 UNL 1 -3.157 -1.073 -0.582 1.00 0.00 C HETATM 8 C6 UNL 1 -4.323 -0.241 -0.619 1.00 0.00 C HETATM 9 O3 UNL 1 -5.212 -0.582 -1.510 1.00 0.00 O HETATM 10 C7 UNL 1 -4.685 0.903 0.167 1.00 0.00 C HETATM 11 C8 UNL 1 -4.314 1.043 1.487 1.00 0.00 C HETATM 12 C9 UNL 1 -4.631 2.130 2.269 1.00 0.00 C HETATM 13 C10 UNL 1 -5.376 3.157 1.682 1.00 0.00 C HETATM 14 C11 UNL 1 -5.768 3.072 0.383 1.00 0.00 C HETATM 15 O4 UNL 1 -6.511 4.093 -0.207 1.00 0.00 O HETATM 16 C12 UNL 1 -5.424 1.950 -0.370 1.00 0.00 C HETATM 17 C13 UNL 1 -1.895 -0.657 -0.235 1.00 0.00 C HETATM 18 O5 UNL 1 -1.617 0.643 0.132 1.00 0.00 O HETATM 19 C14 UNL 1 -0.781 -1.542 -0.248 1.00 0.00 C HETATM 20 C15 UNL 1 0.508 -1.002 0.151 1.00 0.00 C HETATM 21 C16 UNL 1 0.922 -0.984 1.453 1.00 0.00 C HETATM 22 C17 UNL 1 2.116 -0.467 1.878 1.00 0.00 C HETATM 23 O6 UNL 1 2.457 -0.490 3.221 1.00 0.00 O HETATM 24 C18 UNL 1 2.967 0.080 0.908 1.00 0.00 C HETATM 25 O7 UNL 1 4.113 0.578 1.318 1.00 0.00 O HETATM 26 C19 UNL 1 4.994 1.115 0.529 1.00 0.00 C HETATM 27 C20 UNL 1 6.192 1.633 0.975 1.00 0.00 C HETATM 28 O8 UNL 1 6.520 1.606 2.317 1.00 0.00 O HETATM 29 C21 UNL 1 7.071 2.184 0.077 1.00 0.00 C HETATM 30 C22 UNL 1 6.801 2.242 -1.277 1.00 0.00 C HETATM 31 C23 UNL 1 5.586 1.713 -1.710 1.00 0.00 C HETATM 32 C24 UNL 1 4.686 1.153 -0.816 1.00 0.00 C HETATM 33 C25 UNL 1 3.495 0.642 -1.290 1.00 0.00 C HETATM 34 O9 UNL 1 3.245 0.691 -2.508 1.00 0.00 O HETATM 35 C26 UNL 1 2.591 0.082 -0.407 1.00 0.00 C HETATM 36 C27 UNL 1 1.369 -0.453 -0.807 1.00 0.00 C HETATM 37 O10 UNL 1 0.995 -0.454 -2.097 1.00 0.00 O HETATM 38 H1 UNL 1 -0.154 -5.235 -2.060 1.00 0.00 H HETATM 39 H2 UNL 1 1.075 -5.480 -0.796 1.00 0.00 H HETATM 40 H3 UNL 1 -0.633 -5.648 -0.326 1.00 0.00 H HETATM 41 H4 UNL 1 -2.425 -4.294 -1.285 1.00 0.00 H HETATM 42 H5 UNL 1 -4.693 -3.813 -1.597 1.00 0.00 H HETATM 43 H6 UNL 1 -3.735 0.222 1.905 1.00 0.00 H HETATM 44 H7 UNL 1 -4.313 2.180 3.297 1.00 0.00 H HETATM 45 H8 UNL 1 -5.605 3.994 2.324 1.00 0.00 H HETATM 46 H9 UNL 1 -6.758 4.893 0.325 1.00 0.00 H HETATM 47 H10 UNL 1 -5.728 1.876 -1.392 1.00 0.00 H HETATM 48 H11 UNL 1 -2.218 1.389 0.105 1.00 0.00 H HETATM 49 H12 UNL 1 0.266 -1.405 2.202 1.00 0.00 H HETATM 50 H13 UNL 1 3.323 -0.115 3.543 1.00 0.00 H HETATM 51 H14 UNL 1 7.374 1.968 2.697 1.00 0.00 H HETATM 52 H15 UNL 1 8.025 2.602 0.403 1.00 0.00 H HETATM 53 H16 UNL 1 7.517 2.684 -1.951 1.00 0.00 H HETATM 54 H17 UNL 1 5.375 1.758 -2.768 1.00 0.00 H HETATM 55 H18 UNL 1 1.297 -0.188 -2.961 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 CONECT 3 4 4 19 CONECT 4 5 41 CONECT 5 6 7 7 CONECT 6 42 CONECT 7 8 17 CONECT 8 9 9 10 CONECT 10 11 11 16 CONECT 11 12 43 CONECT 12 13 13 44 CONECT 13 14 45 CONECT 14 15 16 16 CONECT 15 46 CONECT 16 47 CONECT 17 18 19 19 CONECT 18 48 CONECT 19 20 CONECT 20 21 21 36 CONECT 21 22 49 CONECT 22 23 24 24 CONECT 23 50 CONECT 24 25 35 CONECT 25 26 CONECT 26 27 27 32 CONECT 27 28 29 CONECT 28 51 CONECT 29 30 30 52 CONECT 30 31 53 CONECT 31 32 32 54 CONECT 32 33 CONECT 33 34 34 35 CONECT 35 36 36 CONECT 36 37 CONECT 37 55 END