BNJ4B7 -OEChem-04022103202D 50 53 0 1 0 0 0 0 0999 V2000 8.7224 -2.1562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 -2.7708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3604 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6382 -1.3397 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9266 -3.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 -1.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6038 1.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -1.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7435 -2.3604 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0772 -1.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0567 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4308 -3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7014 -1.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3466 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9930 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6592 -1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8822 -2.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -2.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 -2.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9473 -0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 -0.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 0.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 2.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8419 -3.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2369 -3.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 -3.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 -0.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1738 -3.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 -0.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 -2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1868 -0.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2747 3.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 3 24 1 0 0 0 0 4 31 1 0 0 0 0 7 26 1 0 0 0 0 7 50 1 0 0 0 0 8 26 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 11 10 1 1 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 26 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 M END $$$$