BA56BQ -OEChem-04012115542D 50 52 0 1 0 0 0 0 0999 V2000 5.3511 4.7262 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 0.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 3.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 2.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 3.7081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.0036 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8611 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 4.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 3.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -0.0352 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 3.4013 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -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 4.6701 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 5.4307 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 5.5361 -4.0352 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 6.4021 -5.5352 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 4.4516 3.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2947 2.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 1.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 4.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 3.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 6.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 5.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 4.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0046 3.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 0.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -2.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 -4.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7821 -5.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -6.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0221 -5.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -4.5722 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 6.9582 -3.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 1 0 0 0 0 2 41 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 5 9 2 0 0 0 0 6 14 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 32 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 33 1 0 0 0 0 17 22 2 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$