BURG65 -OEChem-04012120282D 42 43 0 0 0 0 0 0 0999 V2000 8.0622 2.2685 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7315 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -2.0976 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -0.3655 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -2.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -0.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 3.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -3.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$