B1QGR2 -OEChem-04012117302D 38 39 0 0 0 0 0 0 0999 V2000 3.7320 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$