BXY9M1 -OEChem-04022103463D 30 31 0 1 0 0 0 0 0999 V2000 3.0957 -0.9754 0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 -0.4355 -0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0098 0.8495 0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5907 1.5507 -0.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4486 -1.2639 -0.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 -0.2098 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 1.1986 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -0.9770 -0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2482 1.1473 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2706 0.3345 1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -1.1220 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 -0.5369 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 -1.2860 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4118 -0.6184 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 0.8625 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 1.4816 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.1488 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -0.7438 -1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 1.8058 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 1.6839 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -2.0206 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 0.6752 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 2.1600 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.2236 2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 0.8409 1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -2.1868 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -1.0305 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -2.3693 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 2.5551 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 2.5028 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 29 1 0 0 0 0 M END $$$$