B3V9PA -OEChem-04022106432D 44 47 0 0 0 0 0 0 0999 V2000 4.6701 -1.4648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -3.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 6.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -3.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -4.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -6.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -4.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -1.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 4.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 4.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -5.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -7.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -5.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 5.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 6.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 7.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 26 2 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$