BRN3I4 -OEChem-04022117413D 44 46 0 1 0 0 0 0 0999 V2000 0.6738 0.0391 -1.3031 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -2.2915 0.5859 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 0.8628 -2.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8525 1.2999 -0.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 -1.2237 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 -0.1583 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1892 0.5555 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 0.5255 -0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -1.6934 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 -0.2173 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1943 1.8960 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8368 1.1767 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 -0.1473 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 0.4851 -2.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 -0.5999 -0.9297 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0645 -2.7043 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4921 -3.9867 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6141 2.5338 2.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 1.7875 -0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 0.4903 3.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 1.0958 -2.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 -3.9071 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 1.8309 3.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 1.7470 -1.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 0.6037 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 -0.9697 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 0.7206 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 2.4754 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 1.2085 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 -1.1895 2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -0.0555 -2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 -1.3353 -1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -2.6104 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 -4.9208 0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 3.5786 2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 2.2891 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 -0.0566 4.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 1.0527 -3.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -4.7206 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 2.3275 4.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0271 2.2184 -2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -2.0556 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 -1.5479 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 1.6549 -3.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 44 1 0 0 0 0 4 25 2 0 0 0 0 5 15 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 16 2 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 18 1 0 0 0 0 11 28 1 0 0 0 0 12 19 1 0 0 0 0 12 29 1 0 0 0 0 13 20 2 0 0 0 0 13 30 1 0 0 0 0 14 21 2 0 0 0 0 14 31 1 0 0 0 0 15 25 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 22 2 0 0 0 0 17 34 1 0 0 0 0 18 23 2 0 0 0 0 18 35 1 0 0 0 0 19 24 2 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$