B8FIS1 -OEChem-04012114232D 35 36 0 1 0 0 0 0 0999 V2000 5.4641 -2.4220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 -0.4221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 3.0420 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.9221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 2.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9590 0.0000 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 6 0 0 0 8 9 1 0 0 0 0 8 11 1 6 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 $$$$