BU3L8J -OEChem-04022101392D 55 58 0 0 0 0 0 0 0999 V2000 13.0309 -2.0663 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 3.2003 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6236 3.1238 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1349 1.7882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 -3.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 -1.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -2.0050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 1.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1934 1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 -0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 -2.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1385 -2.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7117 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 2.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -3.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 -0.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 -0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 -3.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0309 -2.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6509 -2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0309 -1.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 1 35 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 7 34 1 0 0 0 0 7 55 1 0 0 0 0 8 34 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 38 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 24 2 0 0 0 0 18 41 1 0 0 0 0 19 25 2 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 30 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 33 1 0 0 0 0 25 45 1 0 0 0 0 26 31 1 0 0 0 0 26 46 1 0 0 0 0 27 32 2 0 0 0 0 27 47 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 30 33 2 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 M END $$$$