HOO.mol 3 2 0 0 0 0 0 0 0 0 0 -0.6455 -0.0487 0.0000 O 0 0 0 0 0 0.7134 -0.0307 0.0000 O 0 0 0 0 0 -0.9057 0.9078 0.0000 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2