BU6A3I -OEChem-04022107502D 40 42 0 0 0 0 0 0 0999 V2000 7.3390 0.6193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 0.6193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 4.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 2.1193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -2.0831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -1.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5594 -0.4740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 3.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 3.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 -1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -2.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2831 2.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6816 2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 2.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6816 3.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2831 4.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 4.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 3.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -3.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 -3.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 -0.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9496 -0.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -2.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -1.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -4.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -4.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$