r2_m00
1.0
12.4297000000 0 0
0 12.4297000000 0
0 0 12.4297000000
O H
1 2
Cartesian
5.9268290000 6.4653830000 5.9147263333
6.2980540000 5.5176420000 5.9820083333
6.4207480000 6.9773380000 6.5940843333
