B9PV5E -OEChem-04042102553D 28 31 0 0 0 0 0 0 0999 V2000 -3.0834 -4.0619 -0.0917 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 -1.6370 -0.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 1.1104 -0.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 -1.5137 0.2649 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 -1.0076 0.5198 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 -2.3093 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3092 -0.2342 -0.2178 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3783 -1.4845 -0.5271 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 -1.9220 -0.1293 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 1.9936 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 1.3545 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1002 0.9611 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 -0.3325 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 -0.0846 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 3.3587 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 2.1046 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 -1.4037 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -0.0869 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 4.1126 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 3.4917 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3582 -2.4093 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1746 3.8316 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 1.6392 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 5.1908 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 4.0984 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 -3.3133 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4263 -2.5370 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 -0.9326 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 12 2 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 17 2 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 7 18 2 0 0 0 0 8 21 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 9 28 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 13 1 0 0 0 0 13 14 2 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$