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CHARGE=-1 PM7 In(((I)ClBr3(-) (BUPNAB) <In-Br> <In-Cl><Cl-In-Br> GR=CCDC In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.46925600 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.51200000 +1 107.8038990 +1 0.0000000 +0 1 2 0 Br 2.50488426 +1 108.9036860 +1 -120.8656478 +1 1 2 3 Br 2.50485432 +1 108.8688509 +1 -118.2394687 +1 1 2 4