Test
CUTOFF 12
UNITS K
NCONFIGS 1
ATOMS 6
H_S core 1.008 0.0
C_S core 12.011 0.0
O_S core 15.999 0.0
Zn_S core 65.38 0.0
N core 14.007 -0.482
COM core 1.0 0.964
MOLTYPES 2
IRMOF1
MAXATOM 424
Nitrogen
ATOMS 3 3
N core 0.0 0.0 0.0
COM core 0.0 0.0 0.55
N core 0.0 0.0 1.1
EXCLUDE
RIGID
FINISH
VDW 11
Zn_S core COM core +lj 0.0 1.23
O_S core COM core +lj 0.0 1.515
Zn_S core N core +lj 47.396 4.54
N core N core +lj 36.0 4.965
C_S core N core +lj 41.509 5.045
COM core COM core +lj 0.0 0.0
H_S core N core +lj 16.595 4.735
N core COM core +lj 0.0 1.655
O_S core N core +lj 41.638 4.825
H_S core COM core +lj 0.0 1.425
C_S core COM core +lj 0.0 1.735
CLOSE