52

C          2.71210       -1.13850        1.44320
C          2.75120        0.39050        1.40790
C          2.46200        0.91990       -0.01650
H          2.37680        0.07020       -0.69390
N          3.49700        1.82170       -0.52390
C          4.85380        1.40670       -0.05970
H          5.26870        0.56910       -0.62030
S          4.46190        1.01110        1.69720
C          5.69950        2.64530       -0.13810
C          6.94160        2.98160        0.34850
C          7.48160        4.22570        0.07010
C          6.77690        5.13350       -0.70080
C          5.52860        4.80880       -1.19000
C          4.96950        3.56440       -0.89930
C          3.68430        2.93640       -1.26310
O          2.91170        3.35830       -2.10140
C          1.14680        1.65550       -0.00000
O          1.13040        2.86820        0.00670
N         -0.01110        0.96580        0.00740
C         -1.28960        1.68100        0.01730
C         -2.43890        0.67110        0.01730
C         -3.75410        1.40670        0.02750
C         -4.35350        1.73220        1.23020
C         -5.55630        2.41150        1.24230
C         -6.16820        2.75760        0.04630
C         -5.56750        2.42500       -1.15920
C         -4.36210        1.75020       -1.16590
O         -7.35420        3.42110        0.05550
C         -7.91440        3.73090        1.33320
C          1.77350        0.98560        2.42320
H          3.46470       -1.53710        0.76280
H          2.91880       -1.48400        2.45620
H          1.72510       -1.48400        1.13580
H          7.49610        2.27450        0.94760
H          8.45550        4.48850        0.45600
H          7.20600        6.09990       -0.92070
H          4.98480        5.51730       -1.79710
H          0.00210       -0.00410        0.00200
H         -1.35160        2.30200        0.91100
H         -1.36010        2.31160       -0.86890
H         -2.37690        0.05010       -0.87640
H         -2.36850        0.04040        0.90350
H         -3.87900        1.45860        2.16100
H         -6.02180        2.66970        2.18210
H         -6.04170        2.69360       -2.09160
H         -3.89410        1.49100       -2.10400
H         -8.09060        2.80810        1.88600
H         -7.22160        4.36160        1.89030
H         -8.85810        4.25920        1.19770
H          0.75440        0.71270        2.14930
H          1.99940        0.59670        3.41610
H          1.87020        2.07130        2.42750