B98BFL -OEChem-04022106263D 27 28 0 0 0 0 0 0 0999 V2000 2.6652 -2.0972 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.0456 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.4171 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -0.4481 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -1.8318 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.5242 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 1.8123 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -2.3689 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.7359 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1574 0.2986 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 0.3131 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 2.6568 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 2.1196 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 -2.5019 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 2.2766 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 -3.4490 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 0.3489 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 0.4821 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 1.1749 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0683 -0.5605 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 0.9424 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -0.6246 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4943 0.8347 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 3.7342 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0568 2.7777 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -3.0652 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 27 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$