BD5E2V -OEChem-04012119082D 21 21 0 0 0 0 0 0 0999 V2000 2.0000 -0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 2 0 0 0 0 3 7 1 0 0 0 0 3 13 2 0 0 0 0 4 8 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$