B1INP4 -OEChem-04022104113D 37 39 0 1 0 0 0 0 0999 V2000 6.5029 -2.0640 0.1458 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 -0.6185 -0.4562 S 0 0 1 0 0 0 0 0 0 0 0 0 5.3629 0.7880 -0.6875 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 -2.0653 -0.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 -0.1708 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 1.3048 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -1.1069 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.3309 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 0.2273 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 2.0506 1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 -1.9472 1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 1.9060 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 -1.1420 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1854 3.3977 1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6889 -2.8227 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 3.2529 -1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7903 -2.0174 -1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -0.9236 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 1.2329 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 3.9988 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 -2.8578 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 -0.7539 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -0.2931 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.0431 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 1.3822 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 1.5940 2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 -1.9339 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 1.3560 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 -0.5108 -1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 3.9782 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0595 -3.4773 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 3.7206 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -2.0473 -2.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -1.8284 0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 2.2087 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 5.0474 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0863 -3.5400 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$