B7DR6G -OEChem-04022105142D 43 45 0 0 0 0 0 0 0999 V2000 5.4071 -1.3177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 0.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 4.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6467 4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 1.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 2.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 0.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -1.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 2.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 0.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1012 2.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 5.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 4.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 5.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 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 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 20 2 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 23 39 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$