B97YCU -OEChem-04012120372D 42 43 0 1 0 0 0 0 0999 V2000 5.1350 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 36 1 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 9 4 1 1 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 14 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 21 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 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$