B3B8QU -OEChem-04012114422D 31 33 0 0 0 0 0 0 0999 V2000 2.8660 1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.3783 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.9878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -1.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 -0.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 5 12 2 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 20 2 0 0 0 0 7 20 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$