LABK16 -OEChem-05022322112D 35 37 0 1 0 0 0 0 0999 V2000 9.8622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 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 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 M END $$$$