B1X9YS -OEChem-04042103353D 28 31 0 0 0 0 0 0 0999 V2000 5.6793 0.9417 0.0006 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 2.9149 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2566 -1.6631 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 1.9044 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 -0.5713 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 0.5624 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 0.1414 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 -1.2578 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 0.7444 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 1.8883 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -2.0214 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 -1.6724 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 0.8849 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 0.0535 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.3385 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -1.5256 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7937 -0.2533 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -2.6275 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 2.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 1.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -3.1059 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 -2.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4491 1.8682 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 -1.9195 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8536 -2.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8751 -0.1500 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$