B7KJR8 -OEChem-04012117512D 43 45 0 0 0 0 0 0 0999 V2000 3.0000 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 17 2 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 26 2 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 27 2 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$