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PM7 Zn(II)O2Br2 (CARYUP) <Zn-Br> <><Br-Zn-Br> <Zn-O> GR=CCDC Zn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.33105800 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.28477036 +1 120.8365940 +1 0.0000000 +0 1 2 0 O 1.91463100 +1 105.3978522 +1 -125.5099782 +1 1 2 3 O 2.15390798 +1 101.1045121 +1 -123.1822901 +1 1 2 4 H 0.97257834 +1 116.3759884 +1 126.5513751 +1 4 1 2 H 0.97477632 +1 115.0504404 +1 -127.5517810 +1 4 1 6 H 0.97389080 +1 108.3476047 +1 -125.9092574 +1 5 1 2 H 0.97541420 +1 106.5987940 +1 113.1896016 +1 5 1 8