50

C          3.60780        0.81520        0.18020
N          2.19080        0.79390        0.56680
C          1.49810       -0.38490       -0.01430
C          0.00210       -0.00410        0.00200
H         -0.57160       -0.44490       -0.82660
C         -0.01880        1.53840        0.01050
C          1.46630        1.95980       -0.00140
H          1.84960        2.21520       -1.00040
C          1.67370        3.17850        0.86040
N          1.87570        4.40270        0.44100
C          2.00450        5.15290        1.55860
N          1.88190        4.34680        2.58080
O          1.69200        3.21220        2.19660
C          2.24520        6.61640        1.61440
C          2.36320        7.36960        0.44380
N          2.57230        8.67140        0.53880
C          2.68050        9.25650        1.71520
N          2.58050        8.58210        2.84350
C          2.36590        7.27770        2.83900
N         -0.64330       -0.52830        1.20820
S         -1.52330       -1.92920        1.13410
O         -1.99160       -2.18470        2.45120
O         -2.40190       -1.79880        0.02500
C         -0.40140       -3.22880        0.73770
C         -0.16120       -4.22200        1.63680
C          0.71690       -5.26240        1.34130
C          1.37030       -5.30740        0.14740
C          1.15150       -4.29620       -0.80170
C          0.25330       -3.24070       -0.50610
N          0.04150       -2.27580       -1.40680
C          0.64980       -2.28210       -2.56790
C          1.54420       -3.29020       -2.92180
C          1.80620       -4.30650       -2.04790
H          4.11920       -0.05710        0.61340
H          4.07600        1.73770        0.55400
H          3.68930        0.78090       -0.91620
H          1.86520       -0.55880       -1.03660
H          1.70170       -1.27150        0.60410
H         -0.55080        1.90280       -0.88070
H         -0.53370        1.89320        0.91550
H          2.28020        6.89640       -0.52350
H          2.85600       10.32140        1.75580
H          2.28490        6.73190        3.76740
H         -0.41250       -0.08980        2.19030
H         -0.66360       -4.20610        2.59270
H          0.88580       -6.04070        2.07080
H          2.05250       -6.11630       -0.06830
H          0.45230       -1.48470       -3.26910
H          2.02940       -3.26830       -3.88640
H          2.49630       -5.09620       -2.30580