BR7UM2 -OEChem-04022100332D 41 43 0 0 0 0 0 0 0999 V2000 9.8660 -0.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -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 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 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 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 6.3301 0.7500 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 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 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 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0600 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 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0383 0.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 13 1 0 0 0 0 2 21 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 15 20 2 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$