FIELD=(0.1,0.1,0.1) PM7 Boron oxide H=6.0 HR=HLKS1979 B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.17721355 +1 0.0000000 +0 0.0000000 +0 1 0 0