33
BP86
Cu       -1.558426   -1.644161    0.855629
C        -3.171142   -2.559981   -1.521302
H        -2.706634   -1.760067   -2.089427
N        -2.907652   -2.751192   -0.178286
C        -4.062255   -3.507536   -1.949468
C        -3.627664   -3.799131    0.206514
H        -3.666550   -4.217586    1.206389
N        -4.338722   -4.279057   -0.841978
H        -4.969057   -5.086928   -0.815117
H        -4.510556   -3.697968   -2.919812
C         1.326682   -3.008402    1.366311
H         1.331489   -2.679548    2.415792
H         2.360877   -3.171023    1.032910
H         0.764704   -3.951437    1.290574
S         0.549637   -1.714753    0.325000
C        -4.108982    0.053148    1.053116
H        -4.646121   -0.872237    1.234656
N        -2.739635    0.074379    0.866131
C        -4.609147    1.323114    0.947990
C        -2.412274    1.341532    0.641918
N        -3.519070    2.123937    0.684598
H        -3.543289    3.136131    0.522725
H        -5.617096    1.717981    1.029275
H        -1.416116    1.721318    0.441945
C        -1.183278   -3.290325    4.281002
H        -0.890634   -4.210993    3.757350
H        -1.680086   -3.563138    5.224961
H        -0.286947   -2.690238    4.496397
S        -2.354693   -2.376067    3.216563
C        -2.599303   -0.898976    4.263666
H        -3.240027   -0.198642    3.709261
H        -1.638659   -0.409553    4.483896
H        -3.100902   -1.186043    5.199737
