BJPT92 -OEChem-04012112142D 41 43 0 1 0 0 0 0 0999 V2000 3.7601 4.4485 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.4485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.4485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 5.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 5.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -3.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -3.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.5515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -4.8129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 2.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 3.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -3.0904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9511 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 3.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 3.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 4.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 3.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 3.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 4.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -2.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -1.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -3.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -5.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 -4.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 24 2 0 0 0 0 8 25 2 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 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 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 6 0 0 0 23 39 1 0 0 0 0 M END $$$$