B0BRN4 -OEChem-04022102432D 43 46 0 0 0 0 0 0 0999 V2000 10.4580 -0.4470 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0023 -0.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9580 0.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9580 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5859 0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.9470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0023 1.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5859 0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 -1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1245 0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3274 0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7871 1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1949 1.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 0.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -0.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 7 24 2 0 0 0 0 8 28 2 0 0 0 0 9 18 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 41 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 13 25 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 22 1 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$