B7GQ1B -OEChem-04022100482D 42 45 0 0 0 0 0 0 0999 V2000 3.4030 2.5182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 3.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 -0.7866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 0.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8560 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1882 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 -1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4988 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1452 -2.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4773 -3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7379 1.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -1.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5815 -2.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2486 -1.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 -3.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7518 -3.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6699 -4.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 14 20 1 0 0 0 0 15 28 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$