BDF52M -OEChem-04012119392D 42 45 0 0 0 0 0 0 0999 V2000 8.8600 1.7811 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.8538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -1.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 1.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4800 0.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -2.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -3.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 -2.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -1.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 26 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$