COMPND HMDB0031083 HETATM 1 C1 UNL 1 4.879 -1.311 2.204 1.00 0.00 C HETATM 2 C2 UNL 1 3.879 -1.861 1.207 1.00 0.00 C HETATM 3 C3 UNL 1 3.897 -1.056 -0.073 1.00 0.00 C HETATM 4 C4 UNL 1 3.542 0.390 0.213 1.00 0.00 C HETATM 5 C5 UNL 1 3.548 1.219 -1.021 1.00 0.00 C HETATM 6 C6 UNL 1 2.572 0.756 -2.067 1.00 0.00 C HETATM 7 C7 UNL 1 1.191 0.812 -1.474 1.00 0.00 C HETATM 8 C8 UNL 1 0.241 1.567 -2.000 1.00 0.00 C HETATM 9 C9 UNL 1 -1.124 1.597 -1.381 1.00 0.00 C HETATM 10 C10 UNL 1 -1.198 0.692 -0.178 1.00 0.00 C HETATM 11 C11 UNL 1 -2.551 0.766 0.436 1.00 0.00 C HETATM 12 C12 UNL 1 -3.603 0.334 -0.516 1.00 0.00 C HETATM 13 C13 UNL 1 -4.983 0.400 0.106 1.00 0.00 C HETATM 14 C14 UNL 1 -5.065 -0.491 1.298 1.00 0.00 C HETATM 15 C15 UNL 1 -4.774 -1.936 0.933 1.00 0.00 C HETATM 16 H1 UNL 1 5.552 -0.551 1.758 1.00 0.00 H HETATM 17 H2 UNL 1 4.327 -0.814 3.050 1.00 0.00 H HETATM 18 H3 UNL 1 5.552 -2.109 2.605 1.00 0.00 H HETATM 19 H4 UNL 1 2.881 -1.917 1.651 1.00 0.00 H HETATM 20 H5 UNL 1 4.197 -2.900 0.986 1.00 0.00 H HETATM 21 H6 UNL 1 4.880 -1.109 -0.543 1.00 0.00 H HETATM 22 H7 UNL 1 3.124 -1.476 -0.746 1.00 0.00 H HETATM 23 H8 UNL 1 4.288 0.810 0.915 1.00 0.00 H HETATM 24 H9 UNL 1 2.558 0.433 0.721 1.00 0.00 H HETATM 25 H10 UNL 1 4.560 1.251 -1.456 1.00 0.00 H HETATM 26 H11 UNL 1 3.273 2.260 -0.739 1.00 0.00 H HETATM 27 H12 UNL 1 2.661 1.450 -2.928 1.00 0.00 H HETATM 28 H13 UNL 1 2.756 -0.256 -2.428 1.00 0.00 H HETATM 29 H14 UNL 1 1.000 0.211 -0.592 1.00 0.00 H HETATM 30 H15 UNL 1 0.494 2.141 -2.872 1.00 0.00 H HETATM 31 H16 UNL 1 -1.406 2.615 -1.047 1.00 0.00 H HETATM 32 H17 UNL 1 -1.832 1.261 -2.179 1.00 0.00 H HETATM 33 H18 UNL 1 -0.929 -0.344 -0.487 1.00 0.00 H HETATM 34 H19 UNL 1 -0.461 0.977 0.602 1.00 0.00 H HETATM 35 H20 UNL 1 -2.611 0.106 1.335 1.00 0.00 H HETATM 36 H21 UNL 1 -2.725 1.814 0.773 1.00 0.00 H HETATM 37 H22 UNL 1 -3.627 0.923 -1.465 1.00 0.00 H HETATM 38 H23 UNL 1 -3.444 -0.724 -0.847 1.00 0.00 H HETATM 39 H24 UNL 1 -5.174 1.460 0.430 1.00 0.00 H HETATM 40 H25 UNL 1 -5.705 0.176 -0.677 1.00 0.00 H HETATM 41 H26 UNL 1 -6.109 -0.467 1.735 1.00 0.00 H HETATM 42 H27 UNL 1 -4.415 -0.189 2.133 1.00 0.00 H HETATM 43 H28 UNL 1 -5.361 -2.250 0.049 1.00 0.00 H HETATM 44 H29 UNL 1 -3.670 -2.058 0.777 1.00 0.00 H HETATM 45 H30 UNL 1 -5.087 -2.601 1.776 1.00 0.00 H CONECT 1 2 16 17 18 CONECT 2 3 19 20 CONECT 3 4 21 22 CONECT 4 5 23 24 CONECT 5 6 25 26 CONECT 6 7 27 28 CONECT 7 8 8 29 CONECT 8 9 30 CONECT 9 10 31 32 CONECT 10 11 33 34 CONECT 11 12 35 36 CONECT 12 13 37 38 CONECT 13 14 39 40 CONECT 14 15 41 42 CONECT 15 43 44 45 END