BNU69A -OEChem-04022104543D 46 49 0 0 0 0 0 0 0999 V2000 0.0477 2.9691 -0.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3363 -2.5265 -1.1508 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7115 -3.1992 0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6546 -1.9146 1.9208 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.2436 0.1911 1.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 0.8530 1.3166 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 0.2188 -1.5998 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -0.3661 1.1494 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -0.8662 -1.1847 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 -0.1995 0.5598 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -0.4423 -0.6587 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3779 -2.2840 -0.3780 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.4940 -0.7710 1.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4902 1.0078 1.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2276 0.0806 -2.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 0.6895 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3432 -0.1419 -1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 1.1409 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 1.8316 0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 0.9216 -0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 1.3644 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9744 -0.6383 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 1.7208 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 1.7233 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5412 -1.4049 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1894 0.9125 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0366 -0.9324 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5852 -1.6135 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 0.7040 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4313 -0.5590 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4275 1.4293 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 0.1014 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 0.3566 2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 2.0363 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3613 0.9971 -2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 -0.7527 -2.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 2.8822 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 2.3452 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 -1.4287 1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 2.7621 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8918 -2.2361 -0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 1.9018 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7098 -2.6108 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8721 1.5488 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9927 2.2345 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5963 -0.0898 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 18 1 0 0 0 0 11 20 1 0 0 0 0 12 27 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 22 2 0 0 0 0 16 24 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 38 1 0 0 0 0 22 27 1 0 0 0 0 22 39 1 0 0 0 0 24 31 2 0 0 0 0 24 40 1 0 0 0 0 25 28 1 0 0 0 0 25 41 1 0 0 0 0 26 29 2 0 0 0 0 26 42 1 0 0 0 0 27 32 2 0 0 0 0 28 30 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 4 2 -1 4 -1 12 1 13 1 M END $$$$