| Z ||NEQ||   X    ||   Y    ||   Z    |
   42    1   1.59753   0.00000   0.00000
   42    2  -0.79876   1.38350   0.00000
   42    2  -0.79876  -1.38350   0.00000
   26    3   0.00000   0.00000   2.14300
   16    4  -2.10733   0.00000   1.37600
   16    5   1.05366  -1.82500   1.37600
   16    5   1.05366   1.82500   1.37600
   16    6   0.00000   0.00000  -1.71900
    8    7   0.00000   0.00000   4.11800
    8    8   3.51512   0.00000   1.08040
    8    9  -1.75756   3.04418   1.08040
    8    9  -1.75756  -3.04418   1.08040
    8   10   2.75720   1.38644  -1.25593
    8   10   2.75720  -1.38644  -1.25593
    8   11  -2.57929   1.69459  -1.25593
    8   11  -2.57929  -1.69459  -1.25593
    8   12  -0.17791   3.08103  -1.25593
    8   12  -0.17791  -3.08103  -1.25593
    1   13   0.00000   0.75714   4.70413
    1   13   0.00000  -0.75714   4.70413
    1   14   3.65412   0.00000   2.02775
    1   15  -1.82706   3.16456   2.02775
    1   15  -1.82706  -3.16456   2.02775
    1   16   4.39743   0.00000   0.70847
    1   17  -2.19871   3.80828   0.70847
    1   17  -2.19871  -3.80828   0.70847
    1   18   3.70954   1.46000  -1.32256
    1   18   3.70954  -1.46000  -1.32256
    1   19  -3.11916   2.48256  -1.32256
    1   19  -3.11916  -2.48256  -1.32256
    1   20  -0.59038   3.94256  -1.32256
    1   20  -0.59038  -3.94256  -1.32256
    1   21   2.42251   2.05130  -1.85820
    1   21   2.42251  -2.05130  -1.85820
    1   22  -2.98773   1.07230  -1.85820
    1   22  -2.98773  -1.07230  -1.85820
    1   23   0.56523   3.12360  -1.85820
    1   23   0.56523  -3.12360  -1.85820
---------------------------------------------
|NEQ||  CHG   ||U/D||   RD   ||   VD   |    1
---------------------------------------------
    0     Unit     (0:angstrom  1:atomic)
    1     Spin     (0:non-spin  1:spin  )
    0     M.P.     (0:No        1:Yes   )
    0     Sample Point ( <100000, =0 autoset )
