BA1O7J -OEChem-04022110172D 42 44 0 0 0 0 0 0 0999 V2000 3.2733 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.6307 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 3.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -0.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.7172 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8144 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4124 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4124 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -4.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 -2.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2129 -2.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 -1.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 -2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -2.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1434 0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -2.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9494 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -4.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 0.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -4.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9494 0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -5.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 19 2 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 17 2 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 20 2 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$