COMPND HMDB0254498 HETATM 1 N1 UNL 1 -1.943 -6.700 1.330 1.00 0.00 N HETATM 2 C1 UNL 1 -2.100 -5.600 0.997 1.00 0.00 C HETATM 3 C2 UNL 1 -2.328 -4.245 0.565 1.00 0.00 C HETATM 4 C3 UNL 1 -1.522 -3.689 -0.385 1.00 0.00 C HETATM 5 C4 UNL 1 -1.785 -2.417 -0.798 1.00 0.00 C HETATM 6 C5 UNL 1 -2.822 -1.660 -0.302 1.00 0.00 C HETATM 7 C6 UNL 1 -3.046 -0.329 -0.838 1.00 0.00 C HETATM 8 C7 UNL 1 -2.375 0.813 -0.276 1.00 0.00 C HETATM 9 N2 UNL 1 -1.461 0.796 0.563 1.00 0.00 N HETATM 10 N3 UNL 1 -0.871 -0.373 1.115 1.00 0.00 N HETATM 11 C8 UNL 1 0.376 -0.532 0.746 1.00 0.00 C HETATM 12 O1 UNL 1 0.865 0.490 -0.109 1.00 0.00 O HETATM 13 N4 UNL 1 1.194 -1.586 1.119 1.00 0.00 N HETATM 14 C9 UNL 1 2.628 -1.433 0.851 1.00 0.00 C HETATM 15 C10 UNL 1 3.185 -0.198 1.112 1.00 0.00 C HETATM 16 C11 UNL 1 4.480 0.141 0.810 1.00 0.00 C HETATM 17 C12 UNL 1 5.286 -0.852 0.196 1.00 0.00 C HETATM 18 O2 UNL 1 6.560 -0.463 -0.085 1.00 0.00 O HETATM 19 C13 UNL 1 7.698 -0.559 0.679 1.00 0.00 C HETATM 20 F1 UNL 1 8.756 -0.010 -0.028 1.00 0.00 F HETATM 21 F2 UNL 1 8.077 -1.910 0.891 1.00 0.00 F HETATM 22 F3 UNL 1 7.619 -0.021 1.939 1.00 0.00 F HETATM 23 C14 UNL 1 4.728 -2.079 -0.057 1.00 0.00 C HETATM 24 C15 UNL 1 3.399 -2.401 0.259 1.00 0.00 C HETATM 25 C16 UNL 1 -2.696 2.157 -0.812 1.00 0.00 C HETATM 26 C17 UNL 1 -3.571 2.329 -1.852 1.00 0.00 C HETATM 27 C18 UNL 1 -3.835 3.599 -2.320 1.00 0.00 C HETATM 28 C19 UNL 1 -3.229 4.697 -1.756 1.00 0.00 C HETATM 29 C20 UNL 1 -2.352 4.534 -0.714 1.00 0.00 C HETATM 30 C21 UNL 1 -1.686 5.716 -0.052 1.00 0.00 C HETATM 31 F4 UNL 1 -1.576 6.775 -0.894 1.00 0.00 F HETATM 32 F5 UNL 1 -2.556 6.034 0.997 1.00 0.00 F HETATM 33 F6 UNL 1 -0.454 5.316 0.374 1.00 0.00 F HETATM 34 C22 UNL 1 -2.100 3.254 -0.255 1.00 0.00 C HETATM 35 C23 UNL 1 -3.630 -2.236 0.664 1.00 0.00 C HETATM 36 C24 UNL 1 -3.387 -3.531 1.101 1.00 0.00 C HETATM 37 H1 UNL 1 -0.692 -4.300 -0.768 1.00 0.00 H HETATM 38 H2 UNL 1 -1.116 -2.001 -1.565 1.00 0.00 H HETATM 39 H3 UNL 1 -2.917 -0.395 -1.972 1.00 0.00 H HETATM 40 H4 UNL 1 -4.168 -0.172 -0.775 1.00 0.00 H HETATM 41 H5 UNL 1 0.679 1.436 0.294 1.00 0.00 H HETATM 42 H6 UNL 1 0.806 -2.434 1.562 1.00 0.00 H HETATM 43 H7 UNL 1 2.548 0.554 1.572 1.00 0.00 H HETATM 44 H8 UNL 1 4.912 1.124 1.024 1.00 0.00 H HETATM 45 H9 UNL 1 5.324 -2.836 -0.521 1.00 0.00 H HETATM 46 H10 UNL 1 2.963 -3.382 0.042 1.00 0.00 H HETATM 47 H11 UNL 1 -4.090 1.528 -2.361 1.00 0.00 H HETATM 48 H12 UNL 1 -4.524 3.747 -3.164 1.00 0.00 H HETATM 49 H13 UNL 1 -3.389 5.725 -2.108 1.00 0.00 H HETATM 50 H14 UNL 1 -1.390 3.168 0.583 1.00 0.00 H HETATM 51 H15 UNL 1 -4.440 -1.646 1.043 1.00 0.00 H HETATM 52 H16 UNL 1 -4.032 -3.946 1.847 1.00 0.00 H CONECT 1 2 2 2 CONECT 2 3 CONECT 3 4 4 36 CONECT 4 5 37 CONECT 5 6 6 38 CONECT 6 7 35 CONECT 7 8 39 40 CONECT 8 9 9 25 CONECT 9 10 CONECT 10 11 11 CONECT 11 12 13 CONECT 12 41 CONECT 13 14 42 CONECT 14 15 15 24 CONECT 15 16 43 CONECT 16 17 17 44 CONECT 17 18 23 CONECT 18 19 CONECT 19 20 21 22 CONECT 23 24 24 45 CONECT 24 46 CONECT 25 26 26 34 CONECT 26 27 47 CONECT 27 28 28 48 CONECT 28 29 49 CONECT 29 30 34 34 CONECT 30 31 32 33 CONECT 34 50 CONECT 35 36 36 51 CONECT 36 52 END