BR6J3X -OEChem-04012116582D 39 41 0 0 0 0 0 0 0999 V2000 3.3660 -0.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 16 2 0 0 0 0 8 19 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 35 1 0 0 0 0 10 17 1 0 0 0 0 10 19 2 0 0 0 0 11 25 3 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$