BQGS85 -OEChem-04022118463D 26 27 0 0 0 0 0 0 0999 V2000 1.2418 -2.2285 0.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 1.6969 0.0671 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 1.1527 -0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4627 -0.2650 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 -0.3085 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -1.0248 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2655 -0.9244 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0803 -0.2800 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 1.0707 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 -0.9149 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -1.0742 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 1.0608 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 -0.4558 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 1.7359 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 -0.1608 -0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9951 0.9200 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 -1.9901 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 0.7675 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 1.6129 0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 -1.9647 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -2.1528 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 1.7327 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8291 -1.0325 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 2.7877 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -0.6085 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9371 1.4502 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 12 1 0 0 0 0 2 16 2 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 15 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$