B1WZO8 -OEChem-04012112592D 35 37 0 0 0 0 0 0 0999 V2000 5.2619 -1.1311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -3.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 1.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 2.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -3.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 3.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 3.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 4.2712 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 13 1 0 0 0 0 2 15 1 0 0 0 0 3 11 2 0 0 0 0 4 14 1 0 0 0 0 4 32 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 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$