BJ29KE -OEChem-04012119242D 28 29 0 0 0 0 0 0 0999 V2000 2.9230 2.8184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$