B6U1WS -OEChem-04012113112D 26 27 0 0 0 0 0 0 0999 V2000 5.4071 2.8184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 14 2 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 14 24 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$