BKB4G6 -OEChem-04012117072D 48 52 0 0 0 0 0 0 0999 V2000 9.9652 -1.0837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 0.3101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9371 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4371 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4371 -2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4371 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4371 -2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9371 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 -2.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7471 0.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7471 -2.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5571 -1.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 13 2 0 0 0 0 3 27 1 0 0 0 0 3 48 1 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 11 2 0 0 0 0 7 22 2 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 2 0 0 0 0 10 13 1 0 0 0 0 10 19 2 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 27 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 24 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END $$$$