BR6N1G -OEChem-04022108082D 67 71 0 1 0 0 0 0 0999 V2000 2.0000 -2.6439 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7164 2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3614 0.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 -0.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4921 -1.7293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -2.6085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6959 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8274 1.2485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9200 0.7371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9171 -0.3045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6714 1.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6735 2.2366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3475 2.9033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6250 1.1228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8218 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 -0.8589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9903 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 2.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9150 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0421 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0451 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4921 -1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9030 2.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 -1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 -2.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5076 -3.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 -3.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 -1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 1.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9246 -1.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2972 2.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0858 1.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 -0.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3257 -0.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 2.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5940 3.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5127 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 -1.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2251 -1.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 1.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 1.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5297 3.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 3.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1637 1.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 2.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 1.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4316 -0.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8315 -0.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8376 1.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 0.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9579 -2.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8068 -2.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 -1.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -2.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 3.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9529 0.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2920 1.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1267 2.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3146 -3.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 -4.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7975 -1.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 -4.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 -1.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 13 2 1 1 0 0 0 2 59 1 0 0 0 0 15 3 1 1 0 0 0 3 60 1 0 0 0 0 4 26 2 0 0 0 0 17 5 1 6 0 0 0 5 26 1 0 0 0 0 5 58 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 63 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 6 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 33 1 1 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 6 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 34 1 1 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 19 1 0 0 0 0 13 39 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 40 1 1 0 0 0 15 20 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 18 23 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 25 2 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 M END $$$$