B1DNB6 -OEChem-04012114332D 29 30 0 0 0 0 0 0 0999 V2000 5.5686 2.4365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 3.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -2.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 1.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$