BNO25X -OEChem-04022100232D 46 48 0 1 0 0 0 0 0999 V2000 10.8211 -1.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3211 -0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 -2.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4444 2.1923 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9222 0.2438 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1810 1.2097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3211 -0.2650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5799 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 -0.0627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9444 3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8211 -1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3211 -1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 -2.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -2.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -0.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5504 1.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9226 -0.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1739 0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2953 -1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1178 -1.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1427 1.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4813 3.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6344 3.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4074 2.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7842 -2.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6311 -2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 -1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 -3.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 -0.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -3.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 -1.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -2.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M END $$$$