55
Pna21   0.00
Ni       0.20253   0.04818  -0.03038
N        0.34075   0.09449   1.97493
N       -0.87980   1.89937   0.00424
N        1.10485  -1.94818  -0.05446
N        2.06393   1.14674  -0.20040
N       -1.70169  -0.96882   0.08567
S        0.49057  -0.13307   4.74282
S        0.59361   0.38582  -4.74520
C        0.28700   0.16341  -3.17100
C        0.40739   0.00458   3.13621
C        1.64368  -2.45730  -1.15844
H        1.72245  -1.91103  -1.90697
C        1.02415  -2.75255   1.00816
H        0.65909  -2.40847   1.79126
C        2.09189  -3.76188  -1.24322
C        1.98885  -4.58516  -0.12460
H        2.27954  -5.46816  -0.15141
C       -4.17275  -2.21899   0.10572
H       -5.00568  -2.63262   0.11197
C       -2.48430   4.15507   0.09281
H       -3.02226   4.91321   0.11992
C        3.02125   1.06884   0.73005
H        2.87125   0.53693   1.47803
C       -2.52021  -0.83985   1.12361
H       -2.25075  -0.31405   1.84182
C       -1.54711   3.91748   1.07906
C       -2.11732  -1.72742  -0.93510
H       -1.54934  -1.83582  -1.66349
C        2.31588   1.93586  -1.26076
H        1.65380   2.02745  -1.90738
C        4.22163   1.74205   0.63042
C       -1.79459   2.14914  -0.94495
H       -1.88166   1.54601  -1.64749
C        2.69805  -4.24815  -2.45193
C       -0.76596   2.78843   0.99860
H       -0.13253   2.63631   1.66233
C        3.49069   2.60998  -1.43992
H        3.62579   3.12970  -2.19923
C        4.46951   2.50824  -0.48092
H        5.28213   2.94889  -0.58270
C       -3.33620  -2.35296  -0.96332
H       -3.58919  -2.86104  -1.70004
C        5.20526   1.64646   1.68956
N        5.99369   1.63605   2.51118
C       -3.75565  -1.45525   1.17936
N        3.19183  -4.64761  -3.39220
C       -1.40946   4.81174   2.19685
C       -4.58210  -1.30510   2.36061
N       -1.29612   5.50698   3.09500
C       -2.60254   3.24776  -0.92586
H       -3.22943   3.37972  -1.60002
C        1.44861  -4.05740   1.01185
H        1.36904  -4.57591   1.77978
N        0.09081   0.01250  -2.05664
N       -5.20725  -1.20014   3.31136
