B8CRU7 -OEChem-04022101112D 26 27 0 1 0 0 0 0 0999 V2000 5.1756 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4356 -1.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.7145 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6756 -1.6334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8968 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 -0.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0878 2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 -1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2019 -0.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 2.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 2.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -0.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -1.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -0.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 -2.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 6 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 6 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 M END $$$$