IRMOF1
0 1
25.832 0.0 0.0
0.0 25.832 0.0
0.0 0.0 25.832
NUMMOL 1 1000 1000
MOLECULE IRMOF1 424
Zn_S core
 7.57859 5.33741 5.33741 0
O_Zn core
 6.458 6.458 6.458 0
O_S core
 7.28127 5.63473 3.46226 0
C_S core
 6.458 6.458 2.87613 0
C_S core
 6.458 6.458 1.39054 0
C_S core
 7.30736 5.60864 0.69411 0
H_S core
 7.87721 5.03879 1.15831 0
Zn_S core
 18.25341 20.49459 5.33741 0
O_Zn core
 19.374 19.374 6.458 0
O_S core
 18.55073 20.19727 3.46226 0
C_S core
 19.374 19.374 2.87613 0
C_S core
 19.374 19.374 1.39054 0
C_S core
 18.52464 20.22336 0.69411 0
H_S core
 17.95479 20.79321 1.15831 0
Zn_S core
 18.25341 5.33741 20.49459 0
O_Zn core
 19.374 6.458 19.374 0
O_S core
 18.55073 5.63473 22.36974 0
C_S core
 19.374 6.458 22.95587 0
C_S core
 19.374 6.458 24.44146 0
C_S core
 18.52464 5.60864 25.13789 0
H_S core
 17.95479 5.03879 24.67369 0
Zn_S core
 7.57859 20.49459 20.49459 0
O_Zn core
 6.458 19.374 19.374 0
O_S core
 7.28127 20.19727 22.36974 0
C_S core
 6.458 19.374 22.95587 0
C_S core
 6.458 19.374 24.44146 0
C_S core
 7.30736 20.22336 25.13789 0
H_S core
 7.87721 20.79321 24.67369 0
Zn_S core
 5.33741 7.57859 5.33741 0
O_S core
 3.46226 7.28127 5.63473 0
C_S core
 2.87613 6.458 6.458 0
C_S core
 1.39054 6.458 6.458 0
C_S core
 0.69411 7.30736 5.60864 0
H_S core
 1.15831 7.87721 5.03879 0
Zn_S core
 5.33741 18.25341 20.49459 0
O_S core
 3.46226 18.55073 20.19727 0
C_S core
 2.87613 19.374 19.374 0
C_S core
 1.39054 19.374 19.374 0
C_S core
 0.69411 18.52464 20.22336 0
H_S core
 1.15831 17.95479 20.79321 0
Zn_S core
 20.49459 18.25341 5.33741 0
O_S core
 22.36974 18.55073 5.63473 0
C_S core
 22.95587 19.374 6.458 0
C_S core
 24.44146 19.374 6.458 0
C_S core
 25.13789 18.52464 5.60864 0
H_S core
 24.67369 17.95479 5.03879 0
Zn_S core
 20.49459 7.57859 20.49459 0
O_S core
 22.36974 7.28127 20.19727 0
C_S core
 22.95587 6.458 19.374 0
C_S core
 24.44146 6.458 19.374 0
C_S core
 25.13789 7.30736 20.22336 0
H_S core
 24.67369 7.87721 20.79321 0
Zn_S core
 5.33741 5.33741 7.57859 0
O_S core
 5.63473 3.46226 7.28127 0
C_S core
 6.458 2.87613 6.458 0
C_S core
 6.458 1.39054 6.458 0
C_S core
 5.60864 0.69411 7.30736 0
H_S core
 5.03879 1.15831 7.87721 0
Zn_S core
 20.49459 5.33741 18.25341 0
O_S core
 20.19727 3.46226 18.55073 0
C_S core
 19.374 2.87613 19.374 0
C_S core
 19.374 1.39054 19.374 0
C_S core
 20.22336 0.69411 18.52464 0
H_S core
 20.79321 1.15831 17.95479 0
Zn_S core
 5.33741 20.49459 18.25341 0
O_S core
 5.63473 22.36974 18.55073 0
C_S core
 6.458 22.95587 19.374 0
C_S core
 6.458 24.44146 19.374 0
C_S core
 5.60864 25.13789 18.52464 0
H_S core
 5.03879 24.67369 17.95479 0
Zn_S core
 20.49459 20.49459 7.57859 0
O_S core
 20.19727 22.36974 7.28127 0
C_S core
 19.374 22.95587 6.458 0
C_S core
 19.374 24.44146 6.458 0
C_S core
 20.22336 25.13789 7.30736 0
H_S core
 20.79321 24.67369 7.87721 0
Zn_S core
 5.33741 7.57859 20.49459 0
O_Zn core
 6.458 6.458 19.374 0
O_S core
 5.63473 7.28127 22.36974 0
C_S core
 6.458 6.458 22.95587 0
C_S core
 6.458 6.458 24.44146 0
C_S core
 5.60864 7.30736 25.13789 0
H_S core
 5.03879 7.87721 24.67369 0
Zn_S core
 20.49459 18.25341 20.49459 0
O_Zn core
 19.374 19.374 19.374 0
O_S core
 20.19727 18.55073 22.36974 0
C_S core
 19.374 19.374 22.95587 0
C_S core
 19.374 19.374 24.44146 0
C_S core
 20.22336 18.52464 25.13789 0
H_S core
 20.79321 17.95479 24.67369 0
Zn_S core
 5.33741 18.25341 5.33741 0
O_Zn core
 6.458 19.374 6.458 0
O_S core
 5.63473 18.55073 3.46226 0
C_S core
 6.458 19.374 2.87613 0
C_S core
 6.458 19.374 1.39054 0
C_S core
 5.60864 18.52464 0.69411 0
H_S core
 5.03879 17.95479 1.15831 0
Zn_S core
 20.49459 7.57859 5.33741 0
O_Zn core
 19.374 6.458 6.458 0
O_S core
 20.19727 7.28127 3.46226 0
C_S core
 19.374 6.458 2.87613 0
C_S core
 19.374 6.458 1.39054 0
C_S core
 20.22336 7.30736 0.69411 0
H_S core
 20.79321 7.87721 1.15831 0
Zn_S core
 7.57859 5.33741 20.49459 0
O_S core
 7.28127 3.46226 20.19727 0
C_S core
 6.458 2.87613 19.374 0
C_S core
 6.458 1.39054 19.374 0
C_S core
 7.30736 0.69411 20.22336 0
H_S core
 7.87721 1.15831 20.79321 0
Zn_S core
 18.25341 5.33741 5.33741 0
O_S core
 18.55073 3.46226 5.63473 0
C_S core
 19.374 2.87613 6.458 0
C_S core
 19.374 1.39054 6.458 0
C_S core
 18.52464 0.69411 5.60864 0
H_S core
 17.95479 1.15831 5.03879 0
Zn_S core
 18.25341 20.49459 20.49459 0
O_S core
 18.55073 22.36974 20.19727 0
C_S core
 19.374 22.95587 19.374 0
C_S core
 19.374 24.44146 19.374 0
C_S core
 18.52464 25.13789 20.22336 0
H_S core
 17.95479 24.67369 20.79321 0
Zn_S core
 7.57859 20.49459 5.33741 0
O_S core
 7.28127 22.36974 5.63473 0
C_S core
 6.458 22.95587 6.458 0
C_S core
 6.458 24.44146 6.458 0
C_S core
 7.30736 25.13789 5.60864 0
H_S core
 7.87721 24.67369 5.03879 0
Zn_S core
 5.33741 5.33741 18.25341 0
O_S core
 3.46226 5.63473 18.55073 0
C_S core
 2.87613 6.458 19.374 0
C_S core
 1.39054 6.458 19.374 0
C_S core
 0.69411 5.60864 18.52464 0
H_S core
 1.15831 5.03879 17.95479 0
Zn_S core
 5.33741 20.49459 7.57859 0
O_S core
 3.46226 20.19727 7.28127 0
C_S core
 2.87613 19.374 6.458 0
C_S core
 1.39054 19.374 6.458 0
C_S core
 0.69411 20.22336 7.30736 0
H_S core
 1.15831 20.79321 7.87721 0
Zn_S core
 20.49459 5.33741 7.57859 0
O_S core
 22.36974 5.63473 7.28127 0
C_S core
 22.95587 6.458 6.458 0
C_S core
 24.44146 6.458 6.458 0
C_S core
 25.13789 5.60864 7.30736 0
H_S core
 24.67369 5.03879 7.87721 0
Zn_S core
 20.49459 20.49459 18.25341 0
O_S core
 22.36974 20.19727 18.55073 0
C_S core
 22.95587 19.374 19.374 0
C_S core
 24.44146 19.374 19.374 0
C_S core
 25.13789 20.22336 18.52464 0
H_S core
 24.67369 20.79321 17.95479 0
O_S core
 18.55073 20.19727 22.36974 0
C_S core
 18.52464 20.22336 25.13789 0
H_S core
 17.95479 20.79321 24.67369 0
O_S core
 7.28127 5.63473 22.36974 0
C_S core
 7.30736 5.60864 25.13789 0
H_S core
 7.87721 5.03879 24.67369 0
O_S core
 7.28127 20.19727 3.46226 0
C_S core
 7.30736 20.22336 0.69411 0
H_S core
 7.87721 20.79321 1.15831 0
O_S core
 18.55073 5.63473 3.46226 0
C_S core
 18.52464 5.60864 0.69411 0
H_S core
 17.95479 5.03879 1.15831 0
O_S core
 22.36974 18.55073 20.19727 0
C_S core
 25.13789 18.52464 20.22336 0
H_S core
 24.67369 17.95479 20.79321 0
O_S core
 22.36974 7.28127 5.63473 0
C_S core
 25.13789 7.30736 5.60864 0
H_S core
 24.67369 7.87721 5.03879 0
O_S core
 3.46226 7.28127 20.19727 0
C_S core
 0.69411 7.30736 20.22336 0
H_S core
 1.15831 7.87721 20.79321 0
O_S core
 3.46226 18.55073 5.63473 0
C_S core
 0.69411 18.52464 5.60864 0
H_S core
 1.15831 17.95479 5.03879 0
O_S core
 20.19727 22.36974 18.55073 0
C_S core
 20.22336 25.13789 18.52464 0
H_S core
 20.79321 24.67369 17.95479 0
O_S core
 5.63473 22.36974 7.28127 0
C_S core
 5.60864 25.13789 7.30736 0
H_S core
 5.03879 24.67369 7.87721 0
O_S core
 20.19727 3.46226 7.28127 0
C_S core
 20.22336 0.69411 7.30736 0
H_S core
 20.79321 1.15831 7.87721 0
O_S core
 5.63473 3.46226 18.55073 0
C_S core
 5.60864 0.69411 18.52464 0
H_S core
 5.03879 1.15831 17.95479 0
O_S core
 20.19727 18.55073 3.46226 0
C_S core
 20.22336 18.52464 0.69411 0
H_S core
 20.79321 17.95479 1.15831 0
O_S core
 5.63473 7.28127 3.46226 0
C_S core
 5.60864 7.30736 0.69411 0
H_S core
 5.03879 7.87721 1.15831 0
O_S core
 20.19727 7.28127 22.36974 0
C_S core
 20.22336 7.30736 25.13789 0
H_S core
 20.79321 7.87721 24.67369 0
O_S core
 5.63473 18.55073 22.36974 0
C_S core
 5.60864 18.52464 25.13789 0
H_S core
 5.03879 17.95479 24.67369 0
O_S core
 18.55073 22.36974 5.63473 0
C_S core
 18.52464 25.13789 5.60864 0
H_S core
 17.95479 24.67369 5.03879 0
O_S core
 7.28127 22.36974 20.19727 0
C_S core
 7.30736 25.13789 20.22336 0
H_S core
 7.87721 24.67369 20.79321 0
O_S core
 7.28127 3.46226 5.63473 0
C_S core
 7.30736 0.69411 5.60864 0
H_S core
 7.87721 1.15831 5.03879 0
O_S core
 18.55073 3.46226 20.19727 0
C_S core
 18.52464 0.69411 20.22336 0
H_S core
 17.95479 1.15831 20.79321 0
O_S core
 22.36974 20.19727 7.28127 0
C_S core
 25.13789 20.22336 7.30736 0
H_S core
 24.67369 20.79321 7.87721 0
O_S core
 22.36974 5.63473 18.55073 0
C_S core
 25.13789 5.60864 18.52464 0
H_S core
 24.67369 5.03879 17.95479 0
O_S core
 3.46226 20.19727 18.55073 0
C_S core
 0.69411 20.22336 18.52464 0
H_S core
 1.15831 20.79321 17.95479 0
O_S core
 3.46226 5.63473 7.28127 0
C_S core
 0.69411 5.60864 7.30736 0
H_S core
 1.15831 5.03879 7.87721 0
Zn_S core
 7.57859 18.25341 18.25341 0
O_S core
 7.28127 18.55073 16.37826 0
C_S core
 6.458 19.374 15.79213 0
C_S core
 6.458 19.374 14.30654 0
C_S core
 7.30736 18.52464 13.61011 0
H_S core
 7.87721 17.95479 14.07431 0
Zn_S core
 18.25341 7.57859 18.25341 0
O_S core
 18.55073 7.28127 16.37826 0
C_S core
 19.374 6.458 15.79213 0
C_S core
 19.374 6.458 14.30654 0
C_S core
 18.52464 7.30736 13.61011 0
H_S core
 17.95479 7.87721 14.07431 0
Zn_S core
 18.25341 18.25341 7.57859 0
O_S core
 18.55073 18.55073 9.45374 0
C_S core
 19.374 19.374 10.03987 0
C_S core
 19.374 19.374 11.52546 0
C_S core
 18.52464 18.52464 12.22189 0
H_S core
 17.95479 17.95479 11.75769 0
Zn_S core
 7.57859 7.57859 7.57859 0
O_S core
 7.28127 7.28127 9.45374 0
C_S core
 6.458 6.458 10.03987 0
C_S core
 6.458 6.458 11.52546 0
C_S core
 7.30736 7.30736 12.22189 0
H_S core
 7.87721 7.87721 11.75769 0
O_S core
 5.63473 16.37826 20.19727 0
C_S core
 6.458 15.79213 19.374 0
C_S core
 6.458 14.30654 19.374 0
C_S core
 5.60864 13.61011 20.22336 0
H_S core
 5.03879 14.07431 20.79321 0
O_S core
 20.19727 16.37826 5.63473 0
C_S core
 19.374 15.79213 6.458 0
C_S core
 19.374 14.30654 6.458 0
C_S core
 20.22336 13.61011 5.60864 0
H_S core
 20.79321 14.07431 5.03879 0
O_S core
 5.63473 9.45374 5.63473 0
C_S core
 6.458 10.03987 6.458 0
C_S core
 6.458 11.52546 6.458 0
C_S core
 5.60864 12.22189 5.60864 0
H_S core
 5.03879 11.75769 5.03879 0
O_S core
 20.19727 9.45374 20.19727 0
C_S core
 19.374 10.03987 19.374 0
C_S core
 19.374 11.52546 19.374 0
C_S core
 20.22336 12.22189 20.22336 0
H_S core
 20.79321 11.75769 20.79321 0
O_S core
 5.63473 20.19727 9.45374 0
C_S core
 6.458 19.374 10.03987 0
C_S core
 6.458 19.374 11.52546 0
C_S core
 5.60864 20.22336 12.22189 0
H_S core
 5.03879 20.79321 11.75769 0
O_S core
 20.19727 5.63473 9.45374 0
C_S core
 19.374 6.458 10.03987 0
C_S core
 19.374 6.458 11.52546 0
C_S core
 20.22336 5.60864 12.22189 0
H_S core
 20.79321 5.03879 11.75769 0
O_S core
 5.63473 5.63473 16.37826 0
C_S core
 6.458 6.458 15.79213 0
C_S core
 6.458 6.458 14.30654 0
C_S core
 5.60864 5.60864 13.61011 0
H_S core
 5.03879 5.03879 14.07431 0
O_S core
 20.19727 20.19727 16.37826 0
C_S core
 19.374 19.374 15.79213 0
C_S core
 19.374 19.374 14.30654 0
C_S core
 20.22336 20.22336 13.61011 0
H_S core
 20.79321 20.79321 14.07431 0
Zn_S core
 7.57859 18.25341 7.57859 0
O_S core
 7.28127 16.37826 7.28127 0
C_S core
 6.458 15.79213 6.458 0
C_S core
 6.458 14.30654 6.458 0
C_S core
 7.30736 13.61011 7.30736 0
H_S core
 7.87721 14.07431 7.87721 0
Zn_S core
 18.25341 18.25341 18.25341 0
O_S core
 18.55073 16.37826 18.55073 0
C_S core
 19.374 15.79213 19.374 0
C_S core
 19.374 14.30654 19.374 0
C_S core
 18.52464 13.61011 18.52464 0
H_S core
 17.95479 14.07431 17.95479 0
Zn_S core
 18.25341 7.57859 7.57859 0
O_S core
 18.55073 9.45374 7.28127 0
C_S core
 19.374 10.03987 6.458 0
C_S core
 19.374 11.52546 6.458 0
C_S core
 18.52464 12.22189 7.30736 0
H_S core
 17.95479 11.75769 7.87721 0
Zn_S core
 7.57859 7.57859 18.25341 0
O_S core
 7.28127 9.45374 18.55073 0
C_S core
 6.458 10.03987 19.374 0
C_S core
 6.458 11.52546 19.374 0
C_S core
 7.30736 12.22189 18.52464 0
H_S core
 7.87721 11.75769 17.95479 0
O_S core
 18.55073 7.28127 9.45374 0
C_S core
 18.52464 7.30736 12.22189 0
H_S core
 17.95479 7.87721 11.75769 0
O_S core
 7.28127 18.55073 9.45374 0
C_S core
 7.30736 18.52464 12.22189 0
H_S core
 7.87721 17.95479 11.75769 0
O_S core
 7.28127 7.28127 16.37826 0
C_S core
 7.30736 7.30736 13.61011 0
H_S core
 7.87721 7.87721 14.07431 0
O_S core
 18.55073 18.55073 16.37826 0
C_S core
 18.52464 18.52464 13.61011 0
H_S core
 17.95479 17.95479 14.07431 0
O_S core
 20.19727 9.45374 5.63473 0
C_S core
 20.22336 12.22189 5.60864 0
H_S core
 20.79321 11.75769 5.03879 0
O_S core
 5.63473 9.45374 20.19727 0
C_S core
 5.60864 12.22189 20.22336 0
H_S core
 5.03879 11.75769 20.79321 0
O_S core
 20.19727 16.37826 20.19727 0
C_S core
 20.22336 13.61011 20.22336 0
H_S core
 20.79321 14.07431 20.79321 0
O_S core
 5.63473 16.37826 5.63473 0
C_S core
 5.60864 13.61011 5.60864 0
H_S core
 5.03879 14.07431 5.03879 0
O_S core
 20.19727 5.63473 16.37826 0
C_S core
 20.22336 5.60864 13.61011 0
H_S core
 20.79321 5.03879 14.07431 0
O_S core
 5.63473 20.19727 16.37826 0
C_S core
 5.60864 20.22336 13.61011 0
H_S core
 5.03879 20.79321 14.07431 0
O_S core
 20.19727 20.19727 9.45374 0
C_S core
 20.22336 20.22336 12.22189 0
H_S core
 20.79321 20.79321 11.75769 0
O_S core
 5.63473 5.63473 9.45374 0
C_S core
 5.60864 5.60864 12.22189 0
H_S core
 5.03879 5.03879 11.75769 0
O_S core
 18.55073 9.45374 18.55073 0
C_S core
 18.52464 12.22189 18.52464 0
H_S core
 17.95479 11.75769 17.95479 0
O_S core
 7.28127 9.45374 7.28127 0
C_S core
 7.30736 12.22189 7.30736 0
H_S core
 7.87721 11.75769 7.87721 0
O_S core
 7.28127 16.37826 18.55073 0
C_S core
 7.30736 13.61011 18.52464 0
H_S core
 7.87721 14.07431 17.95479 0
O_S core
 18.55073 16.37826 7.28127 0
C_S core
 18.52464 13.61011 7.30736 0
H_S core
 17.95479 14.07431 7.87721 0
O_S core
 16.37826 7.28127 18.55073 0
C_S core
 15.79213 6.458 19.374 0
C_S core
 14.30654 6.458 19.374 0
C_S core
 13.61011 7.30736 18.52464 0
H_S core
 14.07431 7.87721 17.95479 0
O_S core
 16.37826 18.55073 7.28127 0
C_S core
 15.79213 19.374 6.458 0
C_S core
 14.30654 19.374 6.458 0
C_S core
 13.61011 18.52464 7.30736 0
H_S core
 14.07431 17.95479 7.87721 0
O_S core
 9.45374 18.55073 18.55073 0
C_S core
 10.03987 19.374 19.374 0
C_S core
 11.52546 19.374 19.374 0
C_S core
 12.22189 18.52464 18.52464 0
H_S core
 11.75769 17.95479 17.95479 0
O_S core
 9.45374 7.28127 7.28127 0
C_S core
 10.03987 6.458 6.458 0
C_S core
 11.52546 6.458 6.458 0
C_S core
 12.22189 7.30736 7.30736 0
H_S core
 11.75769 7.87721 7.87721 0
O_S core
 16.37826 5.63473 5.63473 0
C_S core
 15.79213 6.458 6.458 0
C_S core
 14.30654 6.458 6.458 0
C_S core
 13.61011 5.60864 5.60864 0
H_S core
 14.07431 5.03879 5.03879 0
O_S core
 16.37826 20.19727 20.19727 0
C_S core
 15.79213 19.374 19.374 0
C_S core
 14.30654 19.374 19.374 0
C_S core
 13.61011 20.22336 20.22336 0
H_S core
 14.07431 20.79321 20.79321 0
O_S core
 9.45374 5.63473 20.19727 0
C_S core
 10.03987 6.458 19.374 0
C_S core
 11.52546 6.458 19.374 0
C_S core
 12.22189 5.60864 20.22336 0
H_S core
 11.75769 5.03879 20.79321 0
O_S core
 9.45374 20.19727 5.63473 0
C_S core
 10.03987 19.374 6.458 0
C_S core
 11.52546 19.374 6.458 0
C_S core
 12.22189 20.22336 5.60864 0
H_S core
 11.75769 20.79321 5.03879 0
O_S core
 9.45374 18.55073 7.28127 0
C_S core
 12.22189 18.52464 7.30736 0
H_S core
 11.75769 17.95479 7.87721 0
O_S core
 9.45374 7.28127 18.55073 0
C_S core
 12.22189 7.30736 18.52464 0
H_S core
 11.75769 7.87721 17.95479 0
O_S core
 16.37826 7.28127 7.28127 0
C_S core
 13.61011 7.30736 7.30736 0
H_S core
 14.07431 7.87721 7.87721 0
O_S core
 16.37826 18.55073 18.55073 0
C_S core
 13.61011 18.52464 18.52464 0
H_S core
 14.07431 17.95479 17.95479 0
O_S core
 9.45374 20.19727 20.19727 0
C_S core
 12.22189 20.22336 20.22336 0
H_S core
 11.75769 20.79321 20.79321 0
O_S core
 9.45374 5.63473 5.63473 0
C_S core
 12.22189 5.60864 5.60864 0
H_S core
 11.75769 5.03879 5.03879 0
O_S core
 16.37826 20.19727 5.63473 0
C_S core
 13.61011 20.22336 5.60864 0
H_S core
 14.07431 20.79321 5.03879 0
O_S core
 16.37826 5.63473 20.19727 0
C_S core
 13.61011 5.60864 20.22336 0
H_S core
 14.07431 5.03879 20.79321 0