BAKE71 -OEChem-04012115562D 34 36 0 0 0 0 0 0 0999 V2000 5.4641 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.3647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 2.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 1.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 1.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5861 0.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 1.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4655 2.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0688 2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2869 2.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 1 0 0 0 0 2 34 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 25 1 0 0 0 0 4 9 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$