B9KJT0 -OEChem-04022108463D 28 30 0 1 0 0 0 0 0999 V2000 -2.2985 2.2369 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 -2.7620 0.2028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 -0.4583 0.3065 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.0531 -0.1903 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 0.8387 0.7648 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4425 1.8668 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 0.9883 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.3431 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 1.1043 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 -1.6040 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -1.2829 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 1.3721 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -1.3227 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8742 -0.0308 -1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 0.3932 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -0.9433 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 0.7522 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 2.4216 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 2.5705 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0195 -2.1041 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 -1.1302 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.4065 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 -2.3594 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 -0.7989 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9859 0.9413 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 -0.2512 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -1.6908 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 0.6676 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 10 11 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$