B1QBA5 -OEChem-04012114412D 36 38 0 0 0 0 0 0 0999 V2000 8.6658 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9174 2.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 2.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -2.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -1.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -2.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 -1.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -1.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 0.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8610 -2.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 -0.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -3.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6645 0.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 0.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 2.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 -2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 34 1 0 0 0 0 4 12 2 0 0 0 0 5 22 1 0 0 0 0 5 35 1 0 0 0 0 6 24 1 0 0 0 0 6 36 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 M END $$$$