BQR52K -OEChem-04022100172D 29 31 0 0 0 0 0 0 0999 V2000 5.5443 -2.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 1.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 0.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 2.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7508 1.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 3.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 3.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1976 3.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 20 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 18 2 0 0 0 0 14 23 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$