B91PLB -OEChem-04022102333D 22 24 0 0 0 0 0 0 0999 V2000 1.3676 1.5364 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.5365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 0.3659 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 0.3660 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 -0.8641 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 -0.8640 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -2.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 0.3635 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4749 0.3635 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 1.5165 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 1.5164 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -3.0253 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2226 -3.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -1.7701 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3636 -1.7701 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 0.3980 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5578 0.3979 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 2.4925 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 2.4924 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 13 2 0 0 0 0 2 4 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 M END $$$$