COMPND HMDB0040609 HETATM 1 O1 UNL 1 -0.420 3.174 -1.532 1.00 0.00 O HETATM 2 C1 UNL 1 -1.650 3.182 -1.278 1.00 0.00 C HETATM 3 O2 UNL 1 -2.395 4.262 -1.703 1.00 0.00 O HETATM 4 C2 UNL 1 -2.231 2.067 -0.556 1.00 0.00 C HETATM 5 C3 UNL 1 -3.588 2.172 -0.328 1.00 0.00 C HETATM 6 C4 UNL 1 -4.419 1.328 0.418 1.00 0.00 C HETATM 7 O3 UNL 1 -5.584 1.861 0.895 1.00 0.00 O HETATM 8 C5 UNL 1 -4.201 0.009 0.734 1.00 0.00 C HETATM 9 O4 UNL 1 -5.197 -0.616 1.201 1.00 0.00 O HETATM 10 C6 UNL 1 -3.033 -0.711 0.602 1.00 0.00 C HETATM 11 C7 UNL 1 -3.245 -2.027 0.935 1.00 0.00 C HETATM 12 O5 UNL 1 -4.487 -2.477 1.337 1.00 0.00 O HETATM 13 C8 UNL 1 -2.186 -2.925 0.866 1.00 0.00 C HETATM 14 O6 UNL 1 -2.367 -4.266 1.197 1.00 0.00 O HETATM 15 C9 UNL 1 -0.942 -2.511 0.472 1.00 0.00 C HETATM 16 C10 UNL 1 -0.753 -1.187 0.142 1.00 0.00 C HETATM 17 C11 UNL 1 0.587 -0.712 -0.277 1.00 0.00 C HETATM 18 O7 UNL 1 1.257 -0.079 0.826 1.00 0.00 O HETATM 19 C12 UNL 1 2.544 0.374 0.596 1.00 0.00 C HETATM 20 C13 UNL 1 3.101 1.421 1.299 1.00 0.00 C HETATM 21 C14 UNL 1 4.378 1.885 1.086 1.00 0.00 C HETATM 22 O8 UNL 1 4.949 2.938 1.787 1.00 0.00 O HETATM 23 C15 UNL 1 5.169 1.280 0.111 1.00 0.00 C HETATM 24 C16 UNL 1 4.613 0.218 -0.608 1.00 0.00 C HETATM 25 O9 UNL 1 5.387 -0.397 -1.582 1.00 0.00 O HETATM 26 C17 UNL 1 3.329 -0.224 -0.369 1.00 0.00 C HETATM 27 C18 UNL 1 2.824 -1.353 -1.178 1.00 0.00 C HETATM 28 C19 UNL 1 1.552 -1.875 -0.560 1.00 0.00 C HETATM 29 O10 UNL 1 1.023 -2.780 -1.460 1.00 0.00 O HETATM 30 C20 UNL 1 -1.769 -0.252 0.193 1.00 0.00 C HETATM 31 C21 UNL 1 -1.414 1.032 -0.169 1.00 0.00 C HETATM 32 H1 UNL 1 -2.700 5.019 -1.085 1.00 0.00 H HETATM 33 H2 UNL 1 -4.138 2.995 -0.756 1.00 0.00 H HETATM 34 H3 UNL 1 -5.818 2.832 0.704 1.00 0.00 H HETATM 35 H4 UNL 1 -4.633 -3.443 1.580 1.00 0.00 H HETATM 36 H5 UNL 1 -1.601 -4.919 1.148 1.00 0.00 H HETATM 37 H6 UNL 1 -0.145 -3.231 0.438 1.00 0.00 H HETATM 38 H7 UNL 1 0.608 -0.128 -1.201 1.00 0.00 H HETATM 39 H8 UNL 1 2.504 1.899 2.056 1.00 0.00 H HETATM 40 H9 UNL 1 4.820 3.863 1.398 1.00 0.00 H HETATM 41 H10 UNL 1 6.161 1.628 -0.067 1.00 0.00 H HETATM 42 H11 UNL 1 5.060 -1.155 -2.132 1.00 0.00 H HETATM 43 H12 UNL 1 3.547 -2.219 -1.175 1.00 0.00 H HETATM 44 H13 UNL 1 2.668 -1.065 -2.247 1.00 0.00 H HETATM 45 H14 UNL 1 1.824 -2.429 0.357 1.00 0.00 H HETATM 46 H15 UNL 1 1.373 -3.679 -1.363 1.00 0.00 H HETATM 47 H16 UNL 1 -0.364 1.221 -0.134 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 32 CONECT 4 5 31 31 CONECT 5 6 6 33 CONECT 6 7 8 CONECT 7 34 CONECT 8 9 9 10 CONECT 10 11 11 30 CONECT 11 12 13 CONECT 12 35 CONECT 13 14 15 15 CONECT 14 36 CONECT 15 16 37 CONECT 16 17 30 30 CONECT 17 18 28 38 CONECT 18 19 CONECT 19 20 20 26 CONECT 20 21 39 CONECT 21 22 23 23 CONECT 22 40 CONECT 23 24 41 CONECT 24 25 26 26 CONECT 25 42 CONECT 26 27 CONECT 27 28 43 44 CONECT 28 29 45 CONECT 29 46 CONECT 30 31 CONECT 31 47 END