BRM3E9 -OEChem-04022107112D 41 42 0 1 0 0 0 0 0999 V2000 5.6889 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -3.4659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2588 -2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4209 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 -2.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -2.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -3.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 -3.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 -4.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4893 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7669 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3428 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4768 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0783 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0918 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7309 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9578 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1109 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 28 1 0 0 0 0 6 12 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 1 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 3 0 0 0 0 M END $$$$