B3MGL6 -OEChem-04022102492D 47 51 0 0 0 0 0 0 0999 V2000 9.1145 -0.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.0234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.6329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1145 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0607 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0607 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7927 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7927 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 0.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 0.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 1.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0432 1.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2075 1.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 1.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9296 2.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 3.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 2.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 3.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 3.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9219 -2.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 0.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -0.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 2 47 1 0 0 0 0 3 24 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 20 2 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$