BQP86D -OEChem-04012116322D 29 30 0 0 0 0 0 0 0999 V2000 6.3776 0.9588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.5975 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.5680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 3.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 15 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 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$