40
91929631
C          4.56700       -0.48990       -0.62770
C          4.30700       -0.48820        0.74280
C          3.56710       -0.86100       -1.52680
C         -1.18250        1.64790       -2.19700
C         -0.20430        2.18680       -1.36130
C          3.04730       -0.85800        1.21410
C          2.30740       -1.23090       -1.05550
C         -2.18320        0.83430       -1.66520
C         -1.22670        1.09800        0.53780
C         -1.50210       -2.31140        0.95220
C         -0.22630        1.91180        0.00600
C          2.04760       -1.22940        0.31500
C         -2.20510        0.55920       -0.29780
C         -0.33560       -1.99950        0.04430
C          0.78720        2.47090        0.87270
N          0.77340        2.21360        2.19140
N          1.75470        3.25670        0.37080
N         -2.76110       -2.01800        0.25240
N          0.76930       -1.60350        0.79350
O         -0.40910       -2.09940       -1.17620
O         -3.63140       -0.13100        1.77550
O         -4.60440       -0.39790       -0.52790
S         -3.45620       -0.46100        0.36680
H          5.54760       -0.20150       -0.99470
H          5.08520       -0.19820        1.44270
H          3.77060       -0.86070       -2.59380
H         -1.16440        1.85930       -3.26220
H          0.54890        2.81030       -1.82880
H          2.85730       -0.85070        2.28430
H          1.58540       -1.50300       -1.81230
H         -2.92970        0.41900       -2.33620
H         -1.27070        0.86230        1.59410
H         -1.47350       -3.38010        1.18870
H         -1.45200       -1.76200        1.89680
H          0.08370        1.63390        2.64990
H          1.49190        2.61310        2.78650
H          1.83640        3.49800       -0.60760
H          2.45940        3.64210        0.99120
H         -2.98190       -2.60480       -0.56140
H          0.66970       -1.57640        1.80590
