COMPND HMDB0014611 HETATM 1 C1 UNL 1 6.310 -0.764 -0.397 1.00 0.00 C HETATM 2 C2 UNL 1 5.093 -1.090 -0.015 1.00 0.00 C HETATM 3 C3 UNL 1 3.923 -0.205 -0.234 1.00 0.00 C HETATM 4 C4 UNL 1 2.901 -0.777 -1.177 1.00 0.00 C HETATM 5 N1 UNL 1 1.635 -0.130 -0.866 1.00 0.00 N HETATM 6 C5 UNL 1 1.756 1.269 -0.583 1.00 0.00 C HETATM 7 C6 UNL 1 2.538 1.544 0.706 1.00 0.00 C HETATM 8 C7 UNL 1 3.227 0.208 1.032 1.00 0.00 C HETATM 9 C8 UNL 1 2.067 -0.736 1.381 1.00 0.00 C HETATM 10 C9 UNL 1 1.087 -0.872 0.267 1.00 0.00 C HETATM 11 C10 UNL 1 -0.306 -0.437 0.605 1.00 0.00 C HETATM 12 O1 UNL 1 -0.738 -1.197 1.690 1.00 0.00 O HETATM 13 C11 UNL 1 -1.230 -0.665 -0.531 1.00 0.00 C HETATM 14 C12 UNL 1 -0.899 -1.294 -1.704 1.00 0.00 C HETATM 15 C13 UNL 1 -1.759 -1.503 -2.761 1.00 0.00 C HETATM 16 N2 UNL 1 -3.025 -1.049 -2.621 1.00 0.00 N HETATM 17 C14 UNL 1 -3.389 -0.426 -1.486 1.00 0.00 C HETATM 18 C15 UNL 1 -4.700 0.035 -1.359 1.00 0.00 C HETATM 19 C16 UNL 1 -5.132 0.678 -0.220 1.00 0.00 C HETATM 20 C17 UNL 1 -4.295 0.901 0.853 1.00 0.00 C HETATM 21 O2 UNL 1 -4.700 1.546 2.016 1.00 0.00 O HETATM 22 C18 UNL 1 -6.042 1.992 2.086 1.00 0.00 C HETATM 23 C19 UNL 1 -2.987 0.439 0.721 1.00 0.00 C HETATM 24 C20 UNL 1 -2.548 -0.207 -0.417 1.00 0.00 C HETATM 25 H1 UNL 1 7.143 -1.418 -0.230 1.00 0.00 H HETATM 26 H2 UNL 1 6.472 0.178 -0.887 1.00 0.00 H HETATM 27 H3 UNL 1 4.939 -2.036 0.476 1.00 0.00 H HETATM 28 H4 UNL 1 4.307 0.728 -0.726 1.00 0.00 H HETATM 29 H5 UNL 1 3.182 -0.697 -2.238 1.00 0.00 H HETATM 30 H6 UNL 1 2.838 -1.869 -0.955 1.00 0.00 H HETATM 31 H7 UNL 1 2.234 1.754 -1.458 1.00 0.00 H HETATM 32 H8 UNL 1 0.758 1.687 -0.472 1.00 0.00 H HETATM 33 H9 UNL 1 1.906 1.858 1.532 1.00 0.00 H HETATM 34 H10 UNL 1 3.344 2.261 0.449 1.00 0.00 H HETATM 35 H11 UNL 1 3.864 0.282 1.910 1.00 0.00 H HETATM 36 H12 UNL 1 2.557 -1.693 1.670 1.00 0.00 H HETATM 37 H13 UNL 1 1.627 -0.319 2.318 1.00 0.00 H HETATM 38 H14 UNL 1 1.056 -1.938 -0.028 1.00 0.00 H HETATM 39 H15 UNL 1 -0.379 0.635 0.868 1.00 0.00 H HETATM 40 H16 UNL 1 -0.324 -0.873 2.535 1.00 0.00 H HETATM 41 H17 UNL 1 0.117 -1.659 -1.809 1.00 0.00 H HETATM 42 H18 UNL 1 -1.414 -2.017 -3.665 1.00 0.00 H HETATM 43 H19 UNL 1 -5.364 -0.134 -2.193 1.00 0.00 H HETATM 44 H20 UNL 1 -6.151 1.031 -0.138 1.00 0.00 H HETATM 45 H21 UNL 1 -6.724 1.165 1.801 1.00 0.00 H HETATM 46 H22 UNL 1 -6.281 2.406 3.099 1.00 0.00 H HETATM 47 H23 UNL 1 -6.165 2.799 1.306 1.00 0.00 H HETATM 48 H24 UNL 1 -2.328 0.610 1.557 1.00 0.00 H CONECT 1 2 2 25 26 CONECT 2 3 27 CONECT 3 4 8 28 CONECT 4 5 29 30 CONECT 5 6 10 CONECT 6 7 31 32 CONECT 7 8 33 34 CONECT 8 9 35 CONECT 9 10 36 37 CONECT 10 11 38 CONECT 11 12 13 39 CONECT 12 40 CONECT 13 14 14 24 CONECT 14 15 41 CONECT 15 16 16 42 CONECT 16 17 CONECT 17 18 18 24 CONECT 18 19 43 CONECT 19 20 20 44 CONECT 20 21 23 CONECT 21 22 CONECT 22 45 46 47 CONECT 23 24 24 48 END