B2RYP6 -OEChem-04042105513D 28 27 0 1 0 0 0 0 0999 V2000 3.6287 -1.4758 0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -0.4411 -1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 -0.2567 0.9666 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 1.2916 -0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 1.8341 -0.3852 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 0.0530 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -0.2362 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 0.4512 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 -0.6629 -0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 0.7677 0.6127 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2406 -1.0318 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 -0.4195 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 0.1261 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 0.8521 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9516 -0.8395 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3289 0.6570 0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9134 -1.0293 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 -0.3626 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9416 1.3274 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 0.1427 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 -1.5318 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 1.0794 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 -1.4106 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 -1.8316 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 2.1080 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 2.6628 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0892 -2.2373 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4068 0.5064 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 12 2 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 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 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END $$$$