B3QEM6 -OEChem-04022105083D 41 43 0 0 0 0 0 0 0999 V2000 -0.2320 -2.0707 -0.1226 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 0.3741 -2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 2.4037 0.4352 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4878 1.7673 -1.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 1.0710 -0.0354 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -2.8265 0.5578 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 1.6686 -0.5473 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0209 3.5356 1.6931 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 0.1254 -0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 1.5301 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 0.5272 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -0.6224 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -1.5693 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 -1.1708 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 0.6815 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5551 1.0530 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 0.4190 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 1.2083 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -1.0230 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3801 -0.3561 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6043 0.1621 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 -2.3178 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -3.1732 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3081 -1.3881 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5323 -0.8700 1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8842 -1.6451 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 2.5062 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 2.3698 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 1.9260 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 2.0615 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4808 0.4050 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 1.1013 2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -0.3459 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 -0.1665 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3484 0.7624 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 -2.6446 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 -4.1974 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5826 -1.9914 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9826 -1.0689 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 -1.6630 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6072 -2.4483 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 40 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 23 2 0 0 0 0 7 15 1 0 0 0 0 8 27 3 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$