BO3K7G -OEChem-04022106243D 45 48 0 0 0 0 0 0 0999 V2000 -2.1196 3.5050 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 -0.0171 1.8854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5687 -0.6789 -2.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7409 -2.4888 -0.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 1.8345 -0.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 0.6887 0.0051 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7007 3.1834 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 3.9566 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 0.7613 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 1.9227 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6681 2.0073 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 0.7791 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -0.4981 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 3.1331 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 -0.1539 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0437 -1.1624 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 0.6138 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 -1.0094 1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -1.2521 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 -0.4844 -1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -1.4174 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7948 -2.3378 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 -2.1848 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 -2.8490 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6919 -1.0235 2.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 -1.4240 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -3.4040 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 1.9226 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 2.0871 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 1.3304 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 -0.5050 2.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 -1.9785 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 -0.6082 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 -2.9084 -1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4207 -2.5835 2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 -3.7644 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0267 -0.7534 3.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 -1.0407 3.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 -2.0046 2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -0.8964 -4.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9574 -1.4510 -3.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -2.4244 -3.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4865 -4.1921 0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -3.8928 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -2.9299 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 15 19 1 0 0 0 0 16 22 2 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$