COMPND HMDB0252310 HETATM 1 O1 UNL 1 -3.847 -0.023 1.337 1.00 0.00 O HETATM 2 C1 UNL 1 -2.566 -0.064 1.147 1.00 0.00 C HETATM 3 O2 UNL 1 -2.168 0.559 -0.005 1.00 0.00 O HETATM 4 C2 UNL 1 -2.941 1.204 -0.957 1.00 0.00 C HETATM 5 C3 UNL 1 -3.973 0.330 -1.641 1.00 0.00 C HETATM 6 O3 UNL 1 -3.391 -0.736 -2.304 1.00 0.00 O HETATM 7 C4 UNL 1 -4.803 1.188 -2.587 1.00 0.00 C HETATM 8 O4 UNL 1 -5.372 2.249 -1.888 1.00 0.00 O HETATM 9 C5 UNL 1 -1.725 -0.728 2.119 1.00 0.00 C HETATM 10 C6 UNL 1 -2.334 -1.265 3.270 1.00 0.00 C HETATM 11 C7 UNL 1 -1.587 -1.877 4.254 1.00 0.00 C HETATM 12 C8 UNL 1 -0.218 -1.986 4.141 1.00 0.00 C HETATM 13 C9 UNL 1 0.382 -1.465 3.020 1.00 0.00 C HETATM 14 C10 UNL 1 -0.370 -0.838 2.012 1.00 0.00 C HETATM 15 N1 UNL 1 0.279 -0.414 0.826 1.00 0.00 N HETATM 16 C11 UNL 1 1.647 -0.029 0.814 1.00 0.00 C HETATM 17 C12 UNL 1 2.321 0.465 1.914 1.00 0.00 C HETATM 18 C13 UNL 1 3.628 0.919 1.874 1.00 0.00 C HETATM 19 N2 UNL 1 4.304 0.893 0.720 1.00 0.00 N HETATM 20 C14 UNL 1 3.701 0.423 -0.394 1.00 0.00 C HETATM 21 C15 UNL 1 4.384 0.382 -1.605 1.00 0.00 C HETATM 22 C16 UNL 1 5.773 0.876 -1.605 1.00 0.00 C HETATM 23 F1 UNL 1 6.320 0.775 -2.864 1.00 0.00 F HETATM 24 F2 UNL 1 5.777 2.181 -1.137 1.00 0.00 F HETATM 25 F3 UNL 1 6.540 0.103 -0.727 1.00 0.00 F HETATM 26 C17 UNL 1 3.821 -0.091 -2.763 1.00 0.00 C HETATM 27 C18 UNL 1 2.533 -0.544 -2.743 1.00 0.00 C HETATM 28 C19 UNL 1 1.832 -0.511 -1.541 1.00 0.00 C HETATM 29 C20 UNL 1 2.387 -0.039 -0.374 1.00 0.00 C HETATM 30 H1 UNL 1 -3.384 2.160 -0.604 1.00 0.00 H HETATM 31 H2 UNL 1 -2.237 1.520 -1.784 1.00 0.00 H HETATM 32 H3 UNL 1 -4.620 -0.088 -0.844 1.00 0.00 H HETATM 33 H4 UNL 1 -3.968 -1.539 -2.350 1.00 0.00 H HETATM 34 H5 UNL 1 -5.595 0.505 -3.002 1.00 0.00 H HETATM 35 H6 UNL 1 -4.172 1.596 -3.378 1.00 0.00 H HETATM 36 H7 UNL 1 -5.532 1.928 -0.962 1.00 0.00 H HETATM 37 H8 UNL 1 -3.405 -1.177 3.349 1.00 0.00 H HETATM 38 H9 UNL 1 -2.052 -2.291 5.142 1.00 0.00 H HETATM 39 H10 UNL 1 0.359 -2.473 4.930 1.00 0.00 H HETATM 40 H11 UNL 1 1.443 -1.588 2.910 1.00 0.00 H HETATM 41 H12 UNL 1 -0.242 -0.384 -0.089 1.00 0.00 H HETATM 42 H13 UNL 1 1.785 0.547 2.874 1.00 0.00 H HETATM 43 H14 UNL 1 4.069 1.289 2.805 1.00 0.00 H HETATM 44 H15 UNL 1 4.363 -0.120 -3.713 1.00 0.00 H HETATM 45 H16 UNL 1 2.037 -0.929 -3.629 1.00 0.00 H HETATM 46 H17 UNL 1 0.816 -0.892 -1.588 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 9 CONECT 3 4 CONECT 4 5 30 31 CONECT 5 6 7 32 CONECT 6 33 CONECT 7 8 34 35 CONECT 8 36 CONECT 9 10 10 14 CONECT 10 11 37 CONECT 11 12 12 38 CONECT 12 13 39 CONECT 13 14 14 40 CONECT 14 15 CONECT 15 16 41 CONECT 16 17 17 29 CONECT 17 18 42 CONECT 18 19 19 43 CONECT 19 20 CONECT 20 21 21 29 CONECT 21 22 26 CONECT 22 23 24 25 CONECT 26 27 27 44 CONECT 27 28 45 CONECT 28 29 29 46 END