52

C          4.93540        3.02330        1.38620
C          3.58710        3.74560        1.41790
C          2.99780        3.88280       -0.00570
H          3.58870        3.27200       -0.68830
N          2.98540        5.26000       -0.50050
C          2.71570        6.23040        0.60140
H          1.66380        6.29110        0.88070
S          3.79700        5.50890        1.90800
C          3.27620        7.54030        0.12690
C          3.54640        8.73940        0.74500
C          4.04250        9.80210        0.00940
C          4.26340        9.66480       -1.34990
C          4.00010        8.46590       -1.97920
C          3.51790        7.38430       -1.24220
C          3.15200        6.00390       -1.61540
O          3.02120        5.59800       -2.75370
C          1.58400        3.36110        0.00500
O          0.65160        4.13660        0.01810
N          1.35570        2.03290        0.00000
C         -0.01870        1.52580        0.01040
C          0.00210       -0.00410        0.00200
C         -1.41170       -0.52570        0.01270
C         -2.04580       -0.77640        1.21560
C         -3.34380       -1.24920        1.22810
C         -4.00710       -1.48320        0.03240
C         -3.36670       -1.23630       -1.17330
C         -2.07060       -0.75810       -1.18040
O         -5.28220       -1.95320        0.04200
C         -5.87870       -2.18460        1.31980
C          2.60680        3.03170        2.35080
H          5.63580        3.58820        0.77100
H          5.32720        2.94050        2.39990
H          4.80390        2.02660        0.96490
H          3.37130        8.85170        1.80470
H          4.25750       10.74120        0.49760
H          4.64370       10.49950       -1.92010
H          4.16680        8.36490       -3.04150
H          2.10150        1.41260       -0.01040
H         -0.54590        1.88680       -0.87260
H         -0.52890        1.87730        0.90720
H          0.51230       -0.35560       -0.89480
H          0.52930       -0.36510        0.88510
H         -1.52740       -0.59820        2.14610
H         -3.84010       -1.44070        2.16800
H         -3.88110       -1.41740       -2.10550
H         -1.57180       -0.56540       -2.11870
H         -5.90620       -1.25140        1.88230
H         -6.89390       -2.55750        1.18470
H         -5.29080       -2.92150        1.86710
H          2.39570        2.03540        1.96250
H          3.04620        2.94870        3.34490
H          1.68010        3.60260        2.40970