B6N2UW -OEChem-04012119452D 27 27 0 1 0 0 0 0 0999 V2000 4.1554 1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1566 -2.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 -0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 -1.7628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9318 -1.0557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4483 1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 -0.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 0.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0923 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 -2.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6259 -1.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9949 2.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 -2.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 26 1 0 0 0 0 2 13 2 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 4 14 2 0 0 0 0 12 5 1 1 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 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 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 M END $$$$