B91CUV -OEChem-04012115443D 26 27 0 0 0 0 0 0 0999 V2000 2.7846 -0.2971 0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -2.8884 0.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -0.8559 0.1233 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -1.2870 0.2285 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 1.2264 -0.1104 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 3.3701 0.0913 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 0.5286 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 -0.1889 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 0.9619 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 -1.6668 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 0.4961 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -0.8494 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 -1.0435 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1616 1.3301 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 2.2815 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 -1.1178 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8607 -2.1569 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9559 -1.3768 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 -2.0639 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 -0.5580 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2548 2.0272 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0713 0.7212 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 1.9101 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 -0.1135 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 -1.5945 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 -1.6857 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 15 3 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$