D03HEK AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -4.373 1.515 0.000 1.00 0.00 C HETATM 2 C UNL 1 -4.373 0.690 0.000 1.00 0.00 C HETATM 3 C UNL 1 -3.658 0.277 0.000 1.00 0.00 C HETATM 4 C UNL 1 -2.944 0.690 0.000 1.00 0.00 C HETATM 5 C UNL 1 -2.944 1.515 0.000 1.00 0.00 C HETATM 6 C UNL 1 -3.658 1.927 0.000 1.00 0.00 C HETATM 7 N UNL 1 -3.658 2.752 0.000 1.00 0.00 N HETATM 8 C UNL 1 -2.944 3.165 0.000 1.00 0.00 C HETATM 9 N UNL 1 -2.229 2.752 0.000 1.00 0.00 N HETATM 10 C UNL 1 -1.515 3.165 0.000 1.00 0.00 C HETATM 11 C UNL 1 -1.515 3.990 0.000 1.00 0.00 C HETATM 12 C UNL 1 -2.229 4.402 0.000 1.00 0.00 C HETATM 13 N UNL 1 -2.944 3.990 0.000 1.00 0.00 N HETATM 14 N UNL 1 -0.800 2.752 0.000 1.00 0.00 N HETATM 15 C UNL 1 -0.714 1.932 0.000 1.00 0.00 C HETATM 16 C UNL 1 0.093 1.760 0.000 1.00 0.00 C HETATM 17 C UNL 1 0.505 2.475 0.000 1.00 0.00 C HETATM 18 C UNL 1 -0.047 3.088 0.000 1.00 0.00 C HETATM 19 C UNL 1 -1.266 1.319 0.000 1.00 0.00 C HETATM 20 C UNL 1 -1.011 0.534 0.000 1.00 0.00 C HETATM 21 C UNL 1 -0.204 0.363 0.000 1.00 0.00 C HETATM 22 C UNL 1 0.348 0.976 0.000 1.00 0.00 C HETATM 23 C UNL 1 -3.658 -0.548 0.000 1.00 0.00 C HETATM 24 N UNL 1 1.155 0.804 0.000 1.00 0.00 N HETATM 25 C UNL 1 1.410 0.020 0.000 1.00 0.00 C HETATM 26 C UNL 1 2.217 -0.152 0.000 1.00 0.00 C HETATM 27 C UNL 1 2.769 0.461 0.000 1.00 0.00 C HETATM 28 C UNL 1 2.514 1.246 0.000 1.00 0.00 C HETATM 29 C UNL 1 1.707 1.417 0.000 1.00 0.00 C HETATM 30 S UNL 1 3.576 0.290 0.000 1.00 0.00 S HETATM 31 O UNL 1 3.988 1.004 0.000 1.00 0.00 O HETATM 32 O UNL 1 4.373 0.076 0.000 1.00 0.00 O HETATM 33 C UNL 1 3.362 -0.507 0.000 1.00 0.00 C HETATM 34 N UNL 1 -2.944 -0.960 0.000 1.00 0.00 N HETATM 35 O UNL 1 -4.373 -0.960 0.000 1.00 0.00 O HETATM 36 C UNL 1 -2.944 -1.785 0.000 1.00 0.00 C HETATM 37 N UNL 1 -2.229 -2.198 0.000 1.00 0.00 N HETATM 38 C UNL 1 -1.515 -1.785 0.000 1.00 0.00 C HETATM 39 C UNL 1 -1.515 -0.960 0.000 1.00 0.00 C HETATM 40 C UNL 1 -2.229 -0.548 0.000 1.00 0.00 C HETATM 41 C UNL 1 -2.058 -3.005 0.000 1.00 0.00 C HETATM 42 N UNL 1 -1.237 -3.091 0.000 1.00 0.00 N HETATM 43 N UNL 1 -0.902 -2.337 0.000 1.00 0.00 N HETATM 44 C UNL 1 -2.610 -3.618 0.000 1.00 0.00 C HETATM 45 F UNL 1 -2.355 -4.402 0.000 1.00 0.00 F HETATM 46 F UNL 1 -3.022 -4.332 0.000 1.00 0.00 F HETATM 47 F UNL 1 -3.435 -3.618 0.000 1.00 0.00 F CONECT 1 2 6 CONECT 2 1 3 CONECT 3 2 4 23 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 1 7 CONECT 7 6 8 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 14 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 8 CONECT 14 10 15 18 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 CONECT 18 17 14 CONECT 19 15 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 16 24 CONECT 23 3 34 35 CONECT 24 22 25 29 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 29 CONECT 29 28 24 CONECT 30 27 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 CONECT 34 23 36 40 CONECT 35 23 CONECT 36 34 37 CONECT 37 36 38 41 CONECT 38 37 39 43 CONECT 39 38 40 CONECT 40 39 34 CONECT 41 37 42 44 CONECT 42 41 43 CONECT 43 42 38 CONECT 44 41 45 46 47 CONECT 45 44 CONECT 46 44 CONECT 47 44 MASTER 0 0 0 0 0 0 0 0 47 0 47 0 END M END $$$$