31

C         -7.20090        4.61590       -3.87590
C         -6.87300        4.21970       -2.45930
C         -6.06900        3.21110       -2.23070
C         -5.74110        2.81490       -0.81420
H         -6.20640        3.49390       -0.09960
N         -4.28110        2.73590       -0.60420
N         -3.76610        1.52830       -0.25750
C         -2.50270        1.00700        0.01980
N         -2.64690       -0.26610        0.28800
N         -3.88670       -0.59550        0.19950
C         -4.59250        0.44740       -0.12850
S         -6.21840        1.07330       -0.48370
C         -1.22960        1.75870        0.01740
C         -1.23970        3.15450        0.02990
C         -0.04840        3.84990        0.02180
C          1.15490        3.16670        0.00710
C          1.17190        1.78340        0.00040
C         -0.01260        1.07580        0.00800
N          2.46370        1.06090       -0.01530
O          2.48020       -0.15700       -0.02150
O          3.51010        1.68420       -0.02190
H         -6.28370        4.88650       -4.39900
H         -7.67680        3.77870       -4.38640
H         -7.87920        5.46910       -3.86680
H         -7.30100        4.76730       -1.63270
H         -5.64100        2.66350       -3.05740
H         -3.96770        3.45470        0.03070
H         -2.17820        3.68890        0.04130
H         -0.05490        4.92980        0.02730
H          2.08480        3.71580        0.00050
H          0.00210       -0.00410        0.00200