# nAt nEla nElb nCore nRyd
 4    13    12   0     0
# Znuc   x            y           z
P 0.00000000 0.87766783 -0.10010856
O 0.00000000 -1.95912323 0.05701315
H 2.08101554 2.05955113 1.08591181
H -2.08101554 2.05955113 1.08591181