B3REA8 -OEChem-04012118172D 39 39 0 1 0 0 0 0 0999 V2000 5.1350 -0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.5953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1455 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 1.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 0.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 0.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 1.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 2.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9511 2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 2.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -1.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END $$$$