B67COD -OEChem-04012118002D 29 31 0 0 0 0 0 0 0999 V2000 4.6660 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 12 2 0 0 0 0 4 15 2 0 0 0 0 5 18 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 M END $$$$