BLYA84 -OEChem-04022110222D 45 49 0 0 0 0 0 0 0999 V2000 3.3060 -0.2613 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4872 -1.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 -0.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9037 -0.1425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4414 -0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6052 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 -0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4414 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6052 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8198 -1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9322 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2251 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2592 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9109 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6861 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0338 -0.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6052 1.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2766 0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7800 -1.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0520 0.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6534 1.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2352 -0.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9752 -0.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 1.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1584 0.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5104 -1.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3449 -1.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5705 0.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3207 0.2909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3856 -1.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 -2.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7994 0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 24 1 0 0 0 0 6 19 2 0 0 0 0 6 21 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$