BFB3R5 -OEChem-04022101192D 39 42 0 0 0 0 0 0 0999 V2000 7.4851 -3.2578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -1.9531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -3.2621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 1.2091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 2.9033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 2.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -1.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -2.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 -1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 1.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 2.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0646 3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6777 -1.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 -0.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 -2.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 1.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4139 3.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 1.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 3.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 3.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 3.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 4 19 2 0 0 0 0 4 22 1 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$