B3MWL2 -OEChem-04012118562D 41 44 0 0 0 0 0 0 0999 V2000 2.8660 3.3100 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.6900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 1.7741 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.4947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 -2.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 -1.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -0.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -3.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3739 0.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6139 0.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 1.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 32 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 18 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 33 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$