COMPND HMDB0254237 HETATM 1 C1 UNL 1 -3.918 0.512 -2.836 1.00 0.00 C HETATM 2 N1 UNL 1 -4.335 -0.493 -1.877 1.00 0.00 N HETATM 3 C2 UNL 1 -5.797 -0.590 -1.956 1.00 0.00 C HETATM 4 C3 UNL 1 -4.017 -0.064 -0.506 1.00 0.00 C HETATM 5 C4 UNL 1 -4.471 -1.140 0.423 1.00 0.00 C HETATM 6 C5 UNL 1 -4.168 -0.658 1.848 1.00 0.00 C HETATM 7 C6 UNL 1 -2.674 -0.655 1.953 1.00 0.00 C HETATM 8 N2 UNL 1 -1.793 -1.023 2.889 1.00 0.00 N HETATM 9 C7 UNL 1 -0.532 -0.805 2.467 1.00 0.00 C HETATM 10 C8 UNL 1 0.711 -1.002 3.025 1.00 0.00 C HETATM 11 C9 UNL 1 1.858 -0.657 2.294 1.00 0.00 C HETATM 12 C10 UNL 1 1.819 -0.126 1.035 1.00 0.00 C HETATM 13 N3 UNL 1 2.934 0.236 0.264 1.00 0.00 N HETATM 14 C11 UNL 1 4.281 0.137 0.600 1.00 0.00 C HETATM 15 O1 UNL 1 4.627 -0.322 1.718 1.00 0.00 O HETATM 16 C12 UNL 1 5.369 0.544 -0.283 1.00 0.00 C HETATM 17 C13 UNL 1 6.656 0.524 0.193 1.00 0.00 C HETATM 18 C14 UNL 1 7.747 0.895 -0.589 1.00 0.00 C HETATM 19 C15 UNL 1 7.527 1.293 -1.870 1.00 0.00 C HETATM 20 F1 UNL 1 8.603 1.652 -2.617 1.00 0.00 F HETATM 21 C16 UNL 1 6.246 1.320 -2.362 1.00 0.00 C HETATM 22 C17 UNL 1 5.150 0.946 -1.578 1.00 0.00 C HETATM 23 C18 UNL 1 0.530 0.057 0.507 1.00 0.00 C HETATM 24 C19 UNL 1 -0.619 -0.275 1.206 1.00 0.00 C HETATM 25 C20 UNL 1 -1.961 -0.185 0.894 1.00 0.00 C HETATM 26 C21 UNL 1 -2.584 0.325 -0.360 1.00 0.00 C HETATM 27 H1 UNL 1 -3.799 1.515 -2.391 1.00 0.00 H HETATM 28 H2 UNL 1 -2.979 0.192 -3.372 1.00 0.00 H HETATM 29 H3 UNL 1 -4.688 0.585 -3.632 1.00 0.00 H HETATM 30 H4 UNL 1 -6.099 -1.642 -2.019 1.00 0.00 H HETATM 31 H5 UNL 1 -6.168 -0.085 -2.894 1.00 0.00 H HETATM 32 H6 UNL 1 -6.287 -0.041 -1.126 1.00 0.00 H HETATM 33 H7 UNL 1 -4.653 0.828 -0.328 1.00 0.00 H HETATM 34 H8 UNL 1 -5.541 -1.304 0.293 1.00 0.00 H HETATM 35 H9 UNL 1 -3.913 -2.090 0.281 1.00 0.00 H HETATM 36 H10 UNL 1 -4.626 -1.355 2.549 1.00 0.00 H HETATM 37 H11 UNL 1 -4.518 0.389 1.963 1.00 0.00 H HETATM 38 H12 UNL 1 -2.018 -1.423 3.818 1.00 0.00 H HETATM 39 H13 UNL 1 0.788 -1.418 4.016 1.00 0.00 H HETATM 40 H14 UNL 1 2.818 -0.827 2.769 1.00 0.00 H HETATM 41 H15 UNL 1 2.724 0.638 -0.703 1.00 0.00 H HETATM 42 H16 UNL 1 6.884 0.209 1.224 1.00 0.00 H HETATM 43 H17 UNL 1 8.718 0.855 -0.156 1.00 0.00 H HETATM 44 H18 UNL 1 6.105 1.641 -3.384 1.00 0.00 H HETATM 45 H19 UNL 1 4.164 0.988 -2.024 1.00 0.00 H HETATM 46 H20 UNL 1 0.425 0.475 -0.491 1.00 0.00 H HETATM 47 H21 UNL 1 -2.485 1.447 -0.378 1.00 0.00 H HETATM 48 H22 UNL 1 -2.038 -0.023 -1.268 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 4 CONECT 3 30 31 32 CONECT 4 5 26 33 CONECT 5 6 34 35 CONECT 6 7 36 37 CONECT 7 8 25 25 CONECT 8 9 38 CONECT 9 10 10 24 CONECT 10 11 39 CONECT 11 12 12 40 CONECT 12 13 23 CONECT 13 14 41 CONECT 14 15 15 16 CONECT 16 17 17 22 CONECT 17 18 42 CONECT 18 19 19 43 CONECT 19 20 21 CONECT 21 22 22 44 CONECT 22 45 CONECT 23 24 24 46 CONECT 24 25 CONECT 25 26 CONECT 26 47 48 END