BGTI78 -OEChem-04022106202D 40 42 0 0 0 0 0 0 0999 V2000 7.7445 1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -0.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3432 2.7262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 0.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 1.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 -0.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 -0.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 1.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 0.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -2.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 3.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2954 4.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 3.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 3 35 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 23 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$