BK6JX3 -OEChem-04022106372D 51 53 0 0 0 0 0 0 0999 V2000 5.4791 -4.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 5.0352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -0.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 6.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2682 5.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2682 5.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.4648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -4.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -1.9648 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 6.4021 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -5.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 2.0352 0.0000 C 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 5.1701 -5.0036 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 2.5878 -5.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -6.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -7.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -7.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 7.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -2.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -1.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 -0.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9255 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -2.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 -5.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 3.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -5.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -6.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 3.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -6.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -8.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -7.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3462 5.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7448 6.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 7.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 8.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 7.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 28 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 34 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 18 1 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 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$