water.mol 3 2 0 0 0 1 V2000 -0.0682 0.3330 -0.0126 O 0 0 0 0 0 -0.7232 -0.3331 -0.1340 H 0 0 0 0 0 0.7232 -0.1563 0.1340 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M END