B3JUX2 -OEChem-04022106293D 28 29 0 0 0 0 0 0 0999 V2000 1.5635 0.0005 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 -0.0007 0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 -0.0024 1.4493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 0.0024 -1.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 0.0003 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -0.0005 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -1.2078 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -1.2083 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 1.2083 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 1.2078 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -1.2079 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8985 -1.2079 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 1.2080 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8983 1.2081 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5577 -0.0001 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5698 0.0002 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -0.0002 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 0.0002 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 -2.1480 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 -2.1532 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 2.1485 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 2.1523 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4094 -2.1486 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -2.1483 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 2.1485 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 2.1487 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 -0.0002 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6152 0.0006 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$