COMPND HMDB0260408 HETATM 1 C1 UNL 1 2.494 1.709 -1.514 1.00 0.00 C HETATM 2 C2 UNL 1 2.780 0.541 -0.666 1.00 0.00 C HETATM 3 C3 UNL 1 3.998 0.593 0.072 1.00 0.00 C HETATM 4 O1 UNL 1 4.791 1.671 -0.037 1.00 0.00 O HETATM 5 C4 UNL 1 5.975 2.039 0.464 1.00 0.00 C HETATM 6 C5 UNL 1 7.222 1.310 0.091 1.00 0.00 C HETATM 7 F1 UNL 1 7.364 1.414 -1.309 1.00 0.00 F HETATM 8 F2 UNL 1 8.357 1.990 0.595 1.00 0.00 F HETATM 9 F3 UNL 1 7.363 0.030 0.490 1.00 0.00 F HETATM 10 C6 UNL 1 4.292 -0.483 0.873 1.00 0.00 C HETATM 11 C7 UNL 1 3.387 -1.552 0.910 1.00 0.00 C HETATM 12 N1 UNL 1 2.264 -1.537 0.192 1.00 0.00 N HETATM 13 C8 UNL 1 1.925 -0.514 -0.605 1.00 0.00 C HETATM 14 C9 UNL 1 0.684 -0.552 -1.367 1.00 0.00 C HETATM 15 S1 UNL 1 -0.284 -2.009 -1.146 1.00 0.00 S HETATM 16 O2 UNL 1 -1.274 -2.278 -2.229 1.00 0.00 O HETATM 17 C10 UNL 1 -0.822 -2.329 0.475 1.00 0.00 C HETATM 18 N2 UNL 1 -0.229 -3.066 1.430 1.00 0.00 N HETATM 19 C11 UNL 1 -0.968 -3.062 2.548 1.00 0.00 C HETATM 20 C12 UNL 1 -2.109 -2.283 2.320 1.00 0.00 C HETATM 21 C13 UNL 1 -2.011 -1.829 1.026 1.00 0.00 C HETATM 22 N3 UNL 1 -2.924 -0.998 0.322 1.00 0.00 N HETATM 23 C14 UNL 1 -4.109 -0.510 0.898 1.00 0.00 C HETATM 24 O3 UNL 1 -4.401 -0.801 2.076 1.00 0.00 O HETATM 25 C15 UNL 1 -5.032 0.339 0.163 1.00 0.00 C HETATM 26 C16 UNL 1 -6.241 0.731 0.746 1.00 0.00 C HETATM 27 C17 UNL 1 -7.159 1.533 0.112 1.00 0.00 C HETATM 28 C18 UNL 1 -6.882 1.977 -1.162 1.00 0.00 C HETATM 29 C19 UNL 1 -5.707 1.618 -1.777 1.00 0.00 C HETATM 30 C20 UNL 1 -4.805 0.811 -1.112 1.00 0.00 C HETATM 31 H1 UNL 1 3.467 2.131 -1.897 1.00 0.00 H HETATM 32 H2 UNL 1 2.010 2.538 -0.971 1.00 0.00 H HETATM 33 H3 UNL 1 1.935 1.401 -2.426 1.00 0.00 H HETATM 34 H4 UNL 1 5.985 2.027 1.620 1.00 0.00 H HETATM 35 H5 UNL 1 6.166 3.149 0.265 1.00 0.00 H HETATM 36 H6 UNL 1 5.182 -0.546 1.510 1.00 0.00 H HETATM 37 H7 UNL 1 3.596 -2.414 1.534 1.00 0.00 H HETATM 38 H8 UNL 1 0.016 0.336 -1.161 1.00 0.00 H HETATM 39 H9 UNL 1 0.893 -0.462 -2.472 1.00 0.00 H HETATM 40 H10 UNL 1 0.696 -3.569 1.282 1.00 0.00 H HETATM 41 H11 UNL 1 -0.769 -3.557 3.492 1.00 0.00 H HETATM 42 H12 UNL 1 -2.888 -2.107 3.066 1.00 0.00 H HETATM 43 H13 UNL 1 -2.716 -0.731 -0.674 1.00 0.00 H HETATM 44 H14 UNL 1 -6.438 0.363 1.762 1.00 0.00 H HETATM 45 H15 UNL 1 -8.068 1.791 0.629 1.00 0.00 H HETATM 46 H16 UNL 1 -7.600 2.618 -1.687 1.00 0.00 H HETATM 47 H17 UNL 1 -5.520 1.983 -2.775 1.00 0.00 H HETATM 48 H18 UNL 1 -3.885 0.545 -1.622 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 3 13 CONECT 3 4 10 CONECT 4 5 CONECT 5 6 34 35 CONECT 6 7 8 9 CONECT 10 11 11 36 CONECT 11 12 37 CONECT 12 13 13 CONECT 13 14 CONECT 14 15 38 39 CONECT 15 16 16 17 CONECT 17 18 21 21 CONECT 18 19 40 CONECT 19 20 20 41 CONECT 20 21 42 CONECT 21 22 CONECT 22 23 43 CONECT 23 24 24 25 CONECT 25 26 26 30 CONECT 26 27 44 CONECT 27 28 28 45 CONECT 28 29 46 CONECT 29 30 30 47 CONECT 30 48 END