D0XU3A AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.919 -1.088 -1.056 1.00 0.00 N HETATM 2 C UNL 1 2.073 -1.973 -0.515 1.00 0.00 C HETATM 3 N UNL 1 1.146 -1.688 0.397 1.00 0.00 N HETATM 4 C UNL 1 1.372 -0.488 0.948 1.00 0.00 C HETATM 5 C UNL 1 2.541 0.286 0.881 1.00 0.00 C HETATM 6 C UNL 1 3.178 0.095 -0.414 1.00 0.00 C HETATM 7 N UNL 1 0.420 0.373 1.447 1.00 0.00 N HETATM 8 N UNL 1 0.969 1.559 1.838 1.00 0.00 N HETATM 9 C UNL 1 2.258 1.166 2.054 1.00 0.00 C HETATM 10 N UNL 1 4.064 0.927 -1.217 1.00 0.00 N HETATM 11 C UNL 1 -1.023 0.204 1.321 1.00 0.00 C HETATM 12 C UNL 1 -1.723 0.183 2.676 1.00 0.00 C HETATM 13 C UNL 1 -1.637 1.251 0.391 1.00 0.00 C HETATM 14 C UNL 1 2.510 0.906 3.604 1.00 0.00 C HETATM 15 C UNL 1 3.541 0.116 4.112 1.00 0.00 C HETATM 16 C UNL 1 3.672 -0.169 5.529 1.00 0.00 C HETATM 17 C UNL 1 2.787 0.299 6.530 1.00 0.00 C HETATM 18 C UNL 1 1.744 1.081 6.029 1.00 0.00 C HETATM 19 C UNL 1 1.610 1.366 4.613 1.00 0.00 C HETATM 20 N UNL 1 2.918 0.030 7.982 1.00 0.00 N HETATM 21 C UNL 1 3.709 -0.949 8.489 1.00 0.00 C HETATM 22 N UNL 1 4.096 -1.160 9.756 1.00 0.00 N HETATM 23 O UNL 1 4.295 -1.760 7.751 1.00 0.00 O HETATM 24 C UNL 1 4.161 -1.024 11.161 1.00 0.00 C HETATM 25 C UNL 1 3.302 -0.513 12.156 1.00 0.00 C HETATM 26 C UNL 1 3.685 -0.654 13.555 1.00 0.00 C HETATM 27 C UNL 1 4.979 -1.051 13.897 1.00 0.00 C HETATM 28 C UNL 1 5.872 -1.272 12.890 1.00 0.00 C HETATM 29 C UNL 1 5.400 -1.520 11.616 1.00 0.00 C HETATM 30 C UNL 1 5.361 0.360 -1.349 1.00 0.00 C HETATM 31 O UNL 1 5.746 -0.479 -0.520 1.00 0.00 O HETATM 32 C UNL 1 6.482 0.850 -2.372 1.00 0.00 C HETATM 33 C UNL 1 6.685 0.644 -3.896 1.00 0.00 C HETATM 34 C UNL 1 7.479 1.854 -4.430 1.00 0.00 C HETATM 35 C UNL 1 7.568 2.867 -3.304 1.00 0.00 C HETATM 36 C UNL 1 6.832 2.302 -2.101 1.00 0.00 C HETATM 37 C UNL 1 2.826 -0.364 14.772 1.00 0.00 C HETATM 38 F UNL 1 1.620 0.195 14.510 1.00 0.00 F HETATM 39 F UNL 1 2.577 -1.497 15.495 1.00 0.00 F HETATM 40 F UNL 1 3.449 0.478 15.655 1.00 0.00 F HETATM 41 H UNL 1 2.139 -2.992 -0.859 1.00 0.00 H HETATM 42 H UNL 1 3.705 1.007 -2.188 1.00 0.00 H HETATM 43 H UNL 1 -1.185 -0.777 0.858 1.00 0.00 H HETATM 44 H UNL 1 -1.615 1.136 3.204 1.00 0.00 H HETATM 45 H UNL 1 -1.311 -0.605 3.316 1.00 0.00 H HETATM 46 H UNL 1 -2.794 -0.016 2.550 1.00 0.00 H HETATM 47 H UNL 1 -1.525 2.265 0.788 1.00 0.00 H HETATM 48 H UNL 1 -2.707 1.061 0.250 1.00 0.00 H HETATM 49 H UNL 1 -1.166 1.221 -0.596 1.00 0.00 H HETATM 50 H UNL 1 4.275 -0.321 3.439 1.00 0.00 H HETATM 51 H UNL 1 4.528 -0.783 5.801 1.00 0.00 H HETATM 52 H UNL 1 0.982 1.468 6.705 1.00 0.00 H HETATM 53 H UNL 1 0.730 1.942 4.320 1.00 0.00 H HETATM 54 H UNL 1 2.279 0.498 8.608 1.00 0.00 H HETATM 55 H UNL 1 4.799 -1.842 9.507 1.00 0.00 H HETATM 56 H UNL 1 2.354 -0.062 11.919 1.00 0.00 H HETATM 57 H UNL 1 5.308 -1.109 14.937 1.00 0.00 H HETATM 58 H UNL 1 6.933 -1.119 13.050 1.00 0.00 H HETATM 59 H UNL 1 6.090 -2.023 10.940 1.00 0.00 H HETATM 60 H UNL 1 7.339 0.258 -1.994 1.00 0.00 H HETATM 61 H UNL 1 5.797 0.444 -4.498 1.00 0.00 H HETATM 62 H UNL 1 7.349 -0.223 -4.057 1.00 0.00 H HETATM 63 H UNL 1 7.000 2.300 -5.312 1.00 0.00 H HETATM 64 H UNL 1 8.493 1.567 -4.755 1.00 0.00 H HETATM 65 H UNL 1 8.614 3.079 -3.050 1.00 0.00 H HETATM 66 H UNL 1 7.125 3.824 -3.604 1.00 0.00 H HETATM 67 H UNL 1 5.940 2.894 -1.890 1.00 0.00 H HETATM 68 H UNL 1 7.474 2.341 -1.215 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 41 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 10 CONECT 7 4 8 11 CONECT 8 7 9 CONECT 9 8 5 14 CONECT 10 6 30 42 CONECT 11 7 12 13 43 CONECT 12 11 44 45 46 CONECT 13 11 47 48 49 CONECT 14 9 15 19 CONECT 15 14 16 50 CONECT 16 15 17 51 CONECT 17 16 18 20 CONECT 18 17 19 52 CONECT 19 18 14 53 CONECT 20 17 21 54 CONECT 21 20 22 23 CONECT 22 21 24 55 CONECT 23 21 CONECT 24 22 25 29 CONECT 25 24 26 56 CONECT 26 25 27 37 CONECT 27 26 28 57 CONECT 28 27 29 58 CONECT 29 28 24 59 CONECT 30 10 31 32 CONECT 31 30 CONECT 32 30 33 36 60 CONECT 33 32 34 61 62 CONECT 34 33 35 63 64 CONECT 35 34 36 65 66 CONECT 36 35 32 67 68 CONECT 37 26 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 CONECT 41 2 CONECT 42 10 CONECT 43 11 CONECT 44 12 CONECT 45 12 CONECT 46 12 CONECT 47 13 CONECT 48 13 CONECT 49 13 CONECT 50 15 CONECT 51 16 CONECT 52 18 CONECT 53 19 CONECT 54 20 CONECT 55 22 CONECT 56 25 CONECT 57 27 CONECT 58 28 CONECT 59 29 CONECT 60 32 CONECT 61 33 CONECT 62 33 CONECT 63 34 CONECT 64 34 CONECT 65 35 CONECT 66 35 CONECT 67 36 CONECT 68 36 MASTER 0 0 0 0 0 0 0 0 68 0 68 0 END M END $$$$