B95ZRL -OEChem-04022113543D 28 29 0 0 0 0 0 0 0999 V2000 -5.5598 1.6013 0.0006 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1745 -0.8733 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 -2.7508 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8465 2.9748 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 0.7732 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -0.8173 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9967 -1.6961 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 -0.5659 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 -0.4100 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -0.4080 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -1.5396 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7186 -0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 0.4065 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 0.4085 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4747 0.8158 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 1.7733 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 -0.0101 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5197 1.3039 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -2.3422 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9955 -2.3409 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -0.7206 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -0.7170 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 1.0397 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 -2.0338 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 0.7245 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3485 0.7281 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8039 -0.3715 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 2.0464 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 16 2 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$