BR0SX2 -OEChem-04012116022D 79 81 0 1 0 0 0 0 0999 V2000 6.5259 2.0012 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6871 3.2864 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.5292 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8790 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8752 -2.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 1.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 2.3086 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5743 1.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 -5.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 2.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 1.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -2.6801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -4.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 -2.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2185 2.9528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -3.9848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 -2.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0689 -0.4222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0672 -1.4222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1184 -0.1115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1156 -1.7296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8110 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7762 1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7895 -1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8587 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 -3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8587 -3.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5862 1.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 1.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 -2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8957 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 -4.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 3.1624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9334 4.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 2.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 4.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 3.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 5.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 5.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 -0.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9692 -2.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 -1.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 0.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8338 1.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3421 0.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -2.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0086 -3.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9498 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0884 2.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2226 2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1165 2.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2974 1.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6102 1.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 -2.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0984 -2.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9627 -1.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5122 -0.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9616 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -0.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 3.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4313 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5898 -4.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5475 4.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 4.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 -2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 -1.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 2.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 5.7352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 3.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 6.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 4.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 2.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 1.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 1.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 15 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 18 4 1 1 0 0 0 4 23 1 0 0 0 0 19 5 1 1 0 0 0 5 24 1 0 0 0 0 6 22 1 0 0 0 0 9 32 2 0 0 0 0 10 36 1 0 0 0 0 10 43 1 0 0 0 0 11 36 2 0 0 0 0 21 12 1 6 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 26 2 0 0 0 0 13 27 1 0 0 0 0 14 25 1 0 0 0 0 14 33 2 0 0 0 0 15 34 1 0 0 0 0 15 65 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 67 1 0 0 0 0 17 33 1 0 0 0 0 17 70 1 0 0 0 0 17 71 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 6 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 50 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 26 52 1 0 0 0 0 27 32 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$