|
PM7 CsBO2 H=-168.1 HR=WEPS1982 Cs 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 2.34942627 +1 0.0000000 +0 0.0000000 +0 1 0 0 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0 B 1.26207816 +1 90.3532022 +1 180.0000000 +0 2 3 1 O 1.21170617 +1 141.5965410 +1 179.9996817 +1 4 3 1