BU3CV2 -OEChem-04022106122D 21 22 0 0 0 0 0 0 0999 V2000 4.9483 -2.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -1.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -2.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 M END $$$$