L9WAQ5 -OEChem-05022322102D 43 45 0 0 0 0 0 0 0999 V2000 3.4030 2.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 3.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 4 23 2 0 0 0 0 5 11 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 23 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 28 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$