BR2K3Q -OEChem-04022102012D 42 46 0 1 0 0 0 0 0999 V2000 6.2243 -1.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 -4.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 0.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7468 3.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -0.9414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7564 -2.4829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7403 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -3.0106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9562 -2.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 -2.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 -0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 2.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 3.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -3.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -0.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -1.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -3.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -2.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -3.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -3.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -2.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -0.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 -4.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 1.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 3.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 4.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 4.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 9 2 1 1 0 0 0 2 37 1 0 0 0 0 3 16 2 0 0 0 0 4 22 1 0 0 0 0 4 42 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 6 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 6 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$