B2RL6A -OEChem-04022105022D 45 45 0 1 0 0 0 0 0999 V2000 2.8660 -4.4050 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 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 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 12 2 1 6 0 0 0 2 43 1 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 9 5 1 6 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 10 6 1 1 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 M END $$$$