BBA3D5 -OEChem-04012112512D 28 31 0 0 0 0 0 0 0999 V2000 8.0883 -1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.9518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -0.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9989 0.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 2.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 2.2565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 2.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 1.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 -0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 -3.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -2.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 0.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 -2.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 3.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 2.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3654 -3.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 -2.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$