B2KQU7 -OEChem-04022105442D 43 45 0 0 0 0 0 0 0999 V2000 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 2 30 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 3 31 1 0 0 0 0 4 15 2 0 0 0 0 4 24 1 0 0 0 0 5 20 1 0 0 0 0 5 24 2 0 0 0 0 6 21 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 24 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$