B87ACE -OEChem-04022109342D 33 35 0 0 0 0 0 0 0999 V2000 2.8660 -0.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -0.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 3.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$