L2DXA3 -OEChem-05032300282D 49 53 0 1 0 0 0 0 0999 V2000 5.1211 4.1598 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.8337 2.4936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 0.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 -2.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8282 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2404 3.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 -0.5431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 -3.7791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 -2.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7021 -1.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -0.8521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8000 -2.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -2.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 -0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2156 1.3180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9061 -1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9382 1.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1111 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -4.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9201 2.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8272 3.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0362 3.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 4.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 -2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 -1.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 -0.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 -1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -0.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 0.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 -4.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 1.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 0.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2100 0.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5342 1.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 2.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 4.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 4.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 18 3 1 6 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 36 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 1 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 23 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 49 1 0 0 0 0 M END $$$$