CELL 4.480000 4.480000 7.310000 90.000000 90.000000 120.000000 MOL ATOM O -0.1735 0.1530 0.3699 ATOM H -0.2808 0.2763 0.4161 ATOM H 0.0571 0.2763 0.4161 MOL ATOM O -0.1598 0.1804 -0.0051 ATOM H -0.1651 0.1697 0.1257 ATOM H -0.2778 -0.0556 -0.0434 MOL ATOM O -0.4932 -0.4863 -0.1301 ATOM H -0.3858 -0.6096 -0.0839 ATOM H -0.7238 -0.6096 -0.0839 MOL ATOM O -0.5068 -0.5137 -0.5051 ATOM H -0.5015 -0.5030 -0.3743 ATOM H -0.3889 -0.2778 -0.5434 BOX 1 END 1