B7WOB1 -OEChem-04022106012D 18 18 0 1 0 0 0 0 0999 V2000 5.3122 0.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -0.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 -0.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 0.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 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 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 M END $$$$