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PM7 Cs-OBO <Cs-O> GR=CHIK1986 Cs 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 2.71000000 +1 0.0000000 +0 0.0000000 +0 1 0 0 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0 B 1.25843968 +1 90.1504542 +1 180.0000000 +0 2 3 1 O 1.21601885 +1 141.5698316 +1 179.9999968 +1 4 3 1