LARB87 -OEChem-05022322303D 22 23 0 0 0 0 0 0 0999 V2000 -4.5270 -1.0205 -0.0020 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 0.8507 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 -0.1859 0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -1.0775 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 1.1983 0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 -0.5438 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 0.0127 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -1.1194 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 1.6764 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 0.9356 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 -1.5372 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7944 -0.3206 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.1312 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 -2.2011 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 2.7465 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 0.6320 0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 1.7698 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0651 1.2867 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 -1.5050 -0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0884 -2.1614 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -2.0097 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 1.7598 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$