 C N O Tm
   1.0
     3.6183897599999999    0.0000000000000000    0.0000000000000000
    -1.8091948799999999    3.1336174500000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.0480523700000006
 C N O Tm
   1   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.3466862100000000
   0.0000000000000000  0.0000000000000000  0.6533137900000000
   0.6666666700000000  0.3333333300000000  0.1020895800000000
   0.3333333300000000  0.6666666700000000  0.8979104200000000
   0.3333333300000000  0.6666666700000000  0.1756306800000000
   0.6666666700000000  0.3333333300000000  0.8243693200000000