D0QE9E AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.531 2.107 -0.892 1.00 0.00 C HETATM 2 C UNL 1 4.690 2.863 -1.076 1.00 0.00 C HETATM 3 C UNL 1 6.008 2.358 -0.814 1.00 0.00 C HETATM 4 C UNL 1 6.175 1.077 -0.291 1.00 0.00 C HETATM 5 C UNL 1 4.954 0.475 0.088 1.00 0.00 C HETATM 6 C UNL 1 3.666 0.890 -0.279 1.00 0.00 C HETATM 7 C UNL 1 7.466 0.153 -0.202 1.00 0.00 C HETATM 8 C UNL 1 6.985 -1.321 -0.212 1.00 0.00 C HETATM 9 C UNL 1 5.837 -1.729 0.339 1.00 0.00 C HETATM 10 C UNL 1 5.010 -0.701 0.929 1.00 0.00 C HETATM 11 O UNL 1 4.336 -0.804 1.947 1.00 0.00 O HETATM 12 S UNL 1 5.014 -3.210 0.040 1.00 0.00 S HETATM 13 N UNL 1 8.747 0.502 -0.217 1.00 0.00 N HETATM 14 S UNL 1 9.830 -0.794 -0.055 1.00 0.00 S HETATM 15 O UNL 1 9.526 -1.364 1.247 1.00 0.00 O HETATM 16 O UNL 1 9.661 -1.599 -1.257 1.00 0.00 O HETATM 17 C UNL 1 11.639 -0.673 0.010 1.00 0.00 C HETATM 18 C UNL 1 6.133 -4.332 0.660 1.00 0.00 C HETATM 19 N UNL 1 7.284 -4.163 1.250 1.00 0.00 N HETATM 20 C UNL 1 7.706 -5.443 1.453 1.00 0.00 C HETATM 21 N UNL 1 6.887 -6.398 0.992 1.00 0.00 N HETATM 22 N UNL 1 5.889 -5.656 0.496 1.00 0.00 N HETATM 23 C UNL 1 12.455 0.438 -0.114 1.00 0.00 C HETATM 24 C UNL 1 13.875 0.257 -0.030 1.00 0.00 C HETATM 25 C UNL 1 14.469 -1.001 0.173 1.00 0.00 C HETATM 26 C UNL 1 13.637 -2.114 0.277 1.00 0.00 C HETATM 27 C UNL 1 12.248 -1.943 0.203 1.00 0.00 C HETATM 28 C UNL 1 15.963 -1.210 0.303 1.00 0.00 C HETATM 29 H UNL 1 2.539 2.466 -1.164 1.00 0.00 H HETATM 30 H UNL 1 4.551 3.890 -1.448 1.00 0.00 H HETATM 31 H UNL 1 6.854 3.000 -1.039 1.00 0.00 H HETATM 32 H UNL 1 2.802 0.257 -0.073 1.00 0.00 H HETATM 33 H UNL 1 7.569 -2.054 -0.753 1.00 0.00 H HETATM 34 H UNL 1 8.635 -5.692 1.944 1.00 0.00 H HETATM 35 H UNL 1 5.084 -6.091 0.054 1.00 0.00 H HETATM 36 H UNL 1 12.056 1.427 -0.288 1.00 0.00 H HETATM 37 H UNL 1 14.524 1.127 -0.140 1.00 0.00 H HETATM 38 H UNL 1 14.048 -3.109 0.437 1.00 0.00 H HETATM 39 H UNL 1 11.630 -2.839 0.264 1.00 0.00 H HETATM 40 H UNL 1 16.532 -0.314 0.035 1.00 0.00 H HETATM 41 H UNL 1 16.303 -2.024 -0.347 1.00 0.00 H HETATM 42 H UNL 1 16.213 -1.475 1.336 1.00 0.00 H CONECT 1 2 6 29 CONECT 2 1 3 30 CONECT 3 2 4 31 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 32 CONECT 7 4 8 13 CONECT 8 7 9 33 CONECT 9 8 10 12 CONECT 10 9 5 11 CONECT 11 10 CONECT 12 9 18 CONECT 13 7 14 CONECT 14 13 15 16 17 CONECT 15 14 CONECT 16 14 CONECT 17 14 23 27 CONECT 18 12 19 22 CONECT 19 18 20 CONECT 20 19 21 34 CONECT 21 20 22 CONECT 22 21 18 35 CONECT 23 17 24 36 CONECT 24 23 25 37 CONECT 25 24 26 28 CONECT 26 25 27 38 CONECT 27 26 17 39 CONECT 28 25 40 41 42 CONECT 29 1 CONECT 30 2 CONECT 31 3 CONECT 32 6 CONECT 33 8 CONECT 34 20 CONECT 35 22 CONECT 36 23 CONECT 37 24 CONECT 38 26 CONECT 39 27 CONECT 40 28 CONECT 41 28 CONECT 42 28 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$