D0C2QU AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 S UNL 1 0.835 0.717 0.011 1.00 0.00 S HETATM 2 S UNL 1 0.450 2.702 -0.291 1.00 0.00 S HETATM 3 C UNL 1 1.964 3.028 -1.063 1.00 0.00 C HETATM 4 C UNL 1 2.838 2.020 -1.205 1.00 0.00 C HETATM 5 C UNL 1 2.454 0.702 -0.663 1.00 0.00 C HETATM 6 S UNL 1 3.434 -0.651 -0.676 1.00 0.00 S HETATM 7 C UNL 1 2.265 4.400 -1.534 1.00 0.00 C HETATM 8 C UNL 1 1.288 5.256 -2.074 1.00 0.00 C HETATM 9 C UNL 1 1.623 6.532 -2.563 1.00 0.00 C HETATM 10 C UNL 1 2.944 6.971 -2.525 1.00 0.00 C HETATM 11 C UNL 1 3.916 6.140 -1.971 1.00 0.00 C HETATM 12 C UNL 1 3.580 4.882 -1.469 1.00 0.00 C HETATM 13 O UNL 1 3.427 8.155 -3.000 1.00 0.00 O HETATM 14 C UNL 1 2.479 9.143 -3.375 1.00 0.00 C HETATM 15 H UNL 1 3.806 2.119 -1.680 1.00 0.00 H HETATM 16 H UNL 1 0.247 4.941 -2.145 1.00 0.00 H HETATM 17 H UNL 1 0.831 7.145 -2.983 1.00 0.00 H HETATM 18 H UNL 1 4.950 6.476 -1.932 1.00 0.00 H HETATM 19 H UNL 1 4.377 4.290 -1.025 1.00 0.00 H HETATM 20 H UNL 1 3.035 10.041 -3.661 1.00 0.00 H HETATM 21 H UNL 1 1.831 9.406 -2.532 1.00 0.00 H HETATM 22 H UNL 1 1.893 8.824 -4.242 1.00 0.00 H CONECT 1 2 5 CONECT 2 1 3 CONECT 3 2 4 7 CONECT 4 3 5 15 CONECT 5 4 1 6 CONECT 6 5 CONECT 7 3 8 12 CONECT 8 7 9 16 CONECT 9 8 10 17 CONECT 10 9 11 13 CONECT 11 10 12 18 CONECT 12 11 7 19 CONECT 13 10 14 CONECT 14 13 20 21 22 CONECT 15 4 CONECT 16 8 CONECT 17 9 CONECT 18 11 CONECT 19 12 CONECT 20 14 CONECT 21 14 CONECT 22 14 MASTER 0 0 0 0 0 0 0 0 22 0 22 0 END M END $$$$