BJ2R4D -OEChem-04022107392D 40 42 0 1 0 0 0 0 0999 V2000 9.6448 -0.1464 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 -2.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9638 -2.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -1.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5516 -1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -1.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1046 1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7983 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 40 1 0 0 0 0 3 24 2 0 0 0 0 8 4 1 6 0 0 0 4 11 1 0 0 0 0 4 26 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 15 2 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$