B8XKP6 -OEChem-04022106132D 33 35 0 0 0 0 0 0 0999 V2000 3.4782 -1.3026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.1920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -0.1128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 1.4967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 1.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -2.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -2.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -2.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0206 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 0.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8306 1.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 2.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 15 2 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 14 23 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$