BDB2U4 -OEChem-04012113163D 31 33 0 0 0 0 0 0 0999 V2000 -2.4899 -0.5893 1.1159 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5076 1.7609 -0.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 1.8189 -0.2622 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -0.4144 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -0.2293 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 0.8601 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 1.2325 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 -1.1500 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5721 -0.8956 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0663 -1.5205 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 -0.4148 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 1.0797 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1856 -0.1074 0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -0.8795 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 -0.5945 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -1.3206 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 -0.0331 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4439 1.3969 0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -2.1936 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0338 2.8075 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -2.5170 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 2.0716 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9962 -0.5522 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 -0.5651 1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 -1.0542 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -0.5252 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 -2.1710 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 0.0939 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 1.8793 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4217 1.5751 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 1.8809 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 12 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END $$$$