B85XCQ -OEChem-04022109542D 41 42 0 0 0 0 0 0 0999 V2000 3.6233 2.3126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 1.5036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -3.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -3.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 0.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 -0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2111 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 3.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 3.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 4.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 4.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0894 2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 3.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 3.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -4.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5991 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8232 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -4.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0632 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 0.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 41 1 0 0 0 0 6 21 2 0 0 0 0 7 22 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 25 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 17 20 2 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$