42

C         -0.01730        1.42480        0.00990
O          0.00210       -0.00410        0.00200
C          0.62620       -0.61880        1.04220
C          1.19940        0.13570        2.04620
C          1.84130       -0.50090        3.11570
C          1.89800       -1.89940        3.16050
C          1.32340       -2.64380        2.15450
C          0.68210       -2.01130        1.09710
O          0.11220       -2.75100        0.11120
C          0.93610       -3.08600       -1.00730
S          1.39570       -4.40330        2.21250
O          1.84410       -4.83370        0.93470
O          2.07650       -4.74250        3.41280
N         -0.15800       -4.95200        2.37840
C         -1.13120       -4.73120        1.30580
C         -2.34700       -5.63340        1.52670
C         -3.36340       -5.40290        0.40660
C         -4.56090       -6.29150        0.62420
O         -4.59800       -7.03990        1.58600
O         -5.49260       -6.26210       -0.16160
C          2.45350        0.29570        4.18680
C          2.39800        1.64710        4.14130
C          2.98720        2.41390        5.17220
O          3.54840        1.85500        6.10710
O          2.93690        3.63740        5.13090
H          1.00530        1.80210        0.00210
H         -0.54450        1.78590       -0.87320
H         -0.52750        1.77630        0.90670
H          1.15330        1.21400        2.00680
H          2.39240       -2.39400        3.98360
H          1.79440       -3.66470       -0.66590
H          0.35960       -3.67670       -1.71920
H          1.28270       -2.17220       -1.48980
H         -0.42360       -5.41950        3.18570
H         -1.44710       -3.68800        1.31090
H         -0.67320       -4.96740        0.34540
H         -2.03100       -6.67660        1.52160
H         -2.80500       -5.39720        2.48720
H         -3.67930       -4.35970        0.41170
H         -2.90530       -5.63910       -0.55390
H          2.94810       -0.19700        5.01090
H          1.90330        2.13980        3.31720