B95HER -OEChem-04042106223D 41 44 0 1 0 0 0 0 0999 V2000 -4.5397 1.7134 -0.3433 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 -0.8013 1.7965 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 0.3309 2.5722 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 2.4723 -0.2516 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -2.4742 -1.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 -0.8887 0.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 -1.4118 0.6291 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 -3.5298 0.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 1.4086 -0.2274 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0829 -1.8755 0.3255 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 -0.3297 -0.9194 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6412 -1.4779 -1.8419 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9209 -1.4250 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -0.1914 0.2909 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0213 0.9156 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 0.1996 1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 -2.4020 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 0.6496 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 2.2070 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 1.6747 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 3.2324 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 2.9663 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 0.1852 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 0.2258 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6512 -0.8015 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 -0.3614 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0848 0.9853 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1496 -1.1966 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1986 0.6045 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7102 -1.2856 -2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8329 -1.1935 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 -2.1315 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 1.1143 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 -0.3497 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 -3.6416 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3371 -4.2863 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 4.2376 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 3.7748 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 2.2093 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 -1.8209 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 1.5846 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 27 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 19 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 23 2 0 0 0 0 7 14 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 39 1 0 0 0 0 10 28 3 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$