B52KGQ -OEChem-04012116112D 40 40 0 0 0 0 0 0 0999 V2000 1.4766 5.6200 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.8192 3.5785 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5513 4.5785 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1853 3.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1853 4.9445 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9532 3.0785 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3192 4.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3192 2.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 4.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6526 6.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0326 7.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 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 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$