D0I1XE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -4.731 2.406 0.000 1.00 0.00 C HETATM 2 C UNL 1 -4.731 1.581 0.000 1.00 0.00 C HETATM 3 C UNL 1 -4.017 1.169 0.000 1.00 0.00 C HETATM 4 C UNL 1 -3.302 1.581 0.000 1.00 0.00 C HETATM 5 C UNL 1 -3.302 2.406 0.000 1.00 0.00 C HETATM 6 C UNL 1 -4.017 2.819 0.000 1.00 0.00 C HETATM 7 N UNL 1 -2.588 1.169 0.000 1.00 0.00 N HETATM 8 C UNL 1 -2.502 0.348 0.000 1.00 0.00 C HETATM 9 N UNL 1 -1.694 0.177 0.000 1.00 0.00 N HETATM 10 C UNL 1 -1.282 0.891 0.000 1.00 0.00 C HETATM 11 C UNL 1 -1.834 1.504 0.000 1.00 0.00 C HETATM 12 C UNL 1 -3.115 -0.204 0.000 1.00 0.00 C HETATM 13 C UNL 1 -3.899 0.051 0.000 1.00 0.00 C HETATM 14 C UNL 1 -4.512 -0.501 0.000 1.00 0.00 C HETATM 15 C UNL 1 -4.341 -1.308 0.000 1.00 0.00 C HETATM 16 C UNL 1 -3.556 -1.563 0.000 1.00 0.00 C HETATM 17 C UNL 1 -2.943 -1.011 0.000 1.00 0.00 C HETATM 18 CL UNL 1 -5.446 2.819 0.000 1.00 0.00 Cl HETATM 19 C UNL 1 -0.475 1.063 0.000 1.00 0.00 C HETATM 20 N UNL 1 -0.220 1.847 0.000 1.00 0.00 N HETATM 21 C UNL 1 -0.772 2.460 0.000 1.00 0.00 C HETATM 22 N UNL 1 -1.579 2.289 0.000 1.00 0.00 N HETATM 23 N UNL 1 0.077 0.450 0.000 1.00 0.00 N HETATM 24 CL UNL 1 -2.158 -1.266 0.000 1.00 0.00 Cl HETATM 25 C UNL 1 -0.178 -0.335 0.000 1.00 0.00 C HETATM 26 C UNL 1 0.374 -0.948 0.000 1.00 0.00 C HETATM 27 C UNL 1 1.181 -0.777 0.000 1.00 0.00 C HETATM 28 C UNL 1 1.436 0.008 0.000 1.00 0.00 C HETATM 29 C UNL 1 0.884 0.621 0.000 1.00 0.00 C HETATM 30 N UNL 1 1.733 -1.390 0.000 1.00 0.00 N HETATM 31 C UNL 1 2.558 -1.390 0.000 1.00 0.00 C HETATM 32 O UNL 1 2.971 -0.675 0.000 1.00 0.00 O HETATM 33 C UNL 1 2.971 -2.104 0.000 1.00 0.00 C HETATM 34 C UNL 1 3.796 -2.104 0.000 1.00 0.00 C HETATM 35 C UNL 1 4.208 -2.819 0.000 1.00 0.00 C HETATM 36 C UNL 1 5.033 -2.819 0.000 1.00 0.00 C HETATM 37 C UNL 1 5.446 -2.104 0.000 1.00 0.00 C HETATM 38 C UNL 1 5.033 -1.390 0.000 1.00 0.00 C HETATM 39 C UNL 1 4.208 -1.390 0.000 1.00 0.00 C CONECT 1 2 6 18 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 CONECT 6 5 1 CONECT 7 4 8 11 CONECT 8 7 9 12 CONECT 9 8 10 CONECT 10 9 11 19 CONECT 11 10 7 22 CONECT 12 8 13 17 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 12 24 CONECT 18 1 CONECT 19 10 20 23 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 11 CONECT 23 19 25 29 CONECT 24 17 CONECT 25 23 26 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 29 CONECT 29 28 23 CONECT 30 27 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 35 39 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 34 MASTER 0 0 0 0 0 0 0 0 39 0 39 0 END M END $$$$