B2IQP0 -OEChem-04012116372D 58 56 0 1 0 0 0 0 0999 V2000 6.0010 1.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.1200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.9370 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 7.6690 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 9.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 11.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 1.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 13.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1371 7.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 7.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 7.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 9.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 8.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 10.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 10.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 10.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 10.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 11.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 12.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 13.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 13.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 14.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6740 7.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6002 7.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1371 6.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 32 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 26 1 0 0 0 0 7 30 1 0 0 0 0 8 29 1 0 0 0 0 9 22 2 0 0 0 0 10 54 1 0 0 0 0 13 33 1 0 0 0 0 13 55 1 0 0 0 0 14 33 2 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 15 39 1 0 0 0 0 16 31 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 29 2 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 30 31 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$