B8FIS1 -OEChem-04012115123D 35 36 0 1 0 0 0 0 0999 V2000 -1.6158 -1.7667 1.5452 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 2.4167 -0.4030 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 0.1940 0.7610 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 1.6039 0.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -1.3849 -1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 -3.4448 -0.4417 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -0.0152 -0.7983 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3618 0.6924 0.2279 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2901 0.0054 1.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 0.0434 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 0.8355 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 0.6794 -2.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -2.1680 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 1.2761 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 -1.1383 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 1.3269 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 -1.0876 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7434 0.1452 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 1.7865 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0092 1.7184 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 0.1392 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 0.4605 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 -0.1357 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 1.3678 -1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 0.4806 -2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 1.7660 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 0.3010 -2.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.1199 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 2.2865 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 -2.0071 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 -3.8181 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -4.0523 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 2.3863 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3954 0.8208 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 2.3193 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 18 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$