B91WLR -OEChem-04022106443D 33 35 0 0 0 0 0 0 0999 V2000 4.6363 1.1363 -1.2046 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 0.3166 0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 0.7222 -0.9464 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 -2.1054 1.7185 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 1.1481 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 0.0223 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 1.2087 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 0.0278 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 2.2633 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 -1.1088 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 1.1589 1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 2.2686 1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5142 -1.0980 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8786 0.6908 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9252 -2.2185 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 -2.2132 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 0.3218 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -0.6224 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -0.6905 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7389 0.2119 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 -1.4405 1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 2.2564 -1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 0.7039 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 3.1358 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -1.1787 -1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9839 1.1850 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 3.1367 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4674 -1.1161 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 -3.0890 -1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -3.0778 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 1.2757 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -1.3644 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 0.3726 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 21 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$