81

C          0.82800        1.81740       -2.95970
C          0.03710        2.29340       -1.73950
C          0.65680        1.70620       -0.46940
C         -0.15730        2.15700        0.74750
N         -0.24510        3.62370        0.74060
C         -0.74270        4.29650       -0.46700
C          0.07860        3.82170       -1.66990
C          0.12350        4.33820        1.82230
O          0.04610        5.54850        1.80470
C          0.63200        3.63350        3.05350
C          0.97870        4.66760        4.12650
H          0.12810        5.33210        4.27850
C          2.18250        5.48070        3.67610
C          3.16070        5.79840        4.56280
S          4.29850        6.72790        3.57080
C          3.41100        6.62770        2.07940
N          2.35650        5.92260        2.43270
N          3.73190        7.15590        0.83430
C          4.87140        7.85740        0.67330
O          5.61670        8.02790        1.61480
C          5.21930        8.43010       -0.67650
C          6.55300        9.17450       -0.58630
C          7.65030        8.20340       -0.14600
C          6.90630        9.75580       -1.95670
C          6.43610       10.30850        0.43410
C          3.23200        5.44020        6.00500
C          1.84760        4.94620        6.46850
H          1.16380        5.78970        6.56390
C          1.30710        3.94880        5.44170
C          0.00930        3.31590        5.95510
C          0.24940        2.62110        7.29380
C          0.72490        3.66260        8.31120
H         -0.02270        4.45030        8.40450
C          2.04280        4.25860        7.82340
C          2.54350        5.28300        8.84360
C          3.08030        3.14320        7.68030
O          3.38460        2.60750        8.96970
O          0.92260        3.03690        9.58070
C          2.35150        2.86070        5.18450
H          0.79770        0.72900       -3.01020
H          0.38670        2.23550       -3.86440
H          1.86290        2.14850       -2.87360
H         -0.99770        1.96180       -1.82550
H          0.64810        0.61790       -0.53000
H          1.68400        2.05690       -0.37010
H         -1.15930        1.73110        0.69500
H          0.33600        1.82430        1.66080
H         -0.63580        5.37540       -0.35460
H         -1.79240        4.04510       -0.61910
H          1.11110        4.15290       -1.55900
H         -0.34110        4.23910       -2.58510
H         -0.13850        2.96170        3.43180
H          1.52320        3.05880        2.80120
H          3.13580        7.01950        0.08140
H          5.30260        7.62210       -1.40340
H          4.43760        9.12190       -0.99020
H          7.73360        7.39550       -0.87290
H          8.60040        8.73370       -0.08180
H          7.39860        7.78920        0.83030
H          6.12450       10.44760       -2.27040
H          7.85640       10.28620       -1.89250
H          6.98960        8.94790       -2.68370
H          6.18440        9.89430        1.41040
H          7.38620       10.83880        0.49830
H          5.65440       11.00030        0.12040
H          3.96830        4.64940        6.14840
H          3.52090        6.31700        6.58470
H         -0.74490        4.09250        6.08210
H         -0.34770        2.58580        5.22880
H         -0.67870        2.16760        7.64170
H          1.01230        1.85180        7.17460
H          1.81120        6.08410        8.94350
H          2.68320        4.79610        9.80880
H          3.49270        5.69850        8.50550
H          2.67980        2.35390        7.04420
H          3.98780        3.54660        7.23110
H          4.03720        1.89410        8.95520
H          0.12650        2.62630        9.94510
H          3.33010        3.21180        5.51180
H          2.08370        1.96160        5.73960
H          2.38470        2.63340        4.11900