B9IR4K -OEChem-04012112422D 27 28 0 0 0 0 0 0 0999 V2000 2.8660 1.2035 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.5695 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -1.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -1.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 2.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 14 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 M END $$$$