BCE79Z -OEChem-04012112272D 36 38 0 1 0 0 0 0 0999 V2000 5.2740 2.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.0330 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5298 -1.0330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5836 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 -0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -0.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -0.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -0.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -2.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -1.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 -3.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 -3.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4739 -2.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -1.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 0.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 -0.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 3.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 2.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 -0.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4477 0.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2240 1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END $$$$