B4Q3IV -OEChem-04022118573D 33 35 0 0 0 0 0 0 0999 V2000 -2.3596 -2.2255 -1.4603 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 -2.5145 -0.2049 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 1.3244 -1.9864 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.1750 0.1334 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 1.2038 -1.8028 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 0.3122 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 0.3089 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 0.5292 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 0.5776 -0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0302 -0.0203 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -0.1126 0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 -0.8409 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 1.2987 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9079 -0.9882 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.3952 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4285 -1.0071 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 1.1326 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 -1.1989 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 1.1845 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4324 -0.1971 1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 -0.3372 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4716 2.2040 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 2.4156 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 -1.9026 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7785 1.9093 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 -2.2071 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 2.0393 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1347 0.1774 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6523 -1.2527 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6034 0.3417 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1204 0.4675 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8605 -1.2725 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 -0.3831 2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 M END $$$$