42

C      -2.596959    0.640983    0.224172
C      -1.697412    1.801799    0.167388
C      -0.403405    1.594206   -0.317126
I      -0.069065   -0.441820   -0.817722
C      -2.091636   -0.590384   -0.200486
C      -2.026237    3.103920    0.563953
C      -1.087037    4.123129    0.467759
C       0.195111    3.870389   -0.022087
C       0.556700    2.585397   -0.422101
C      -2.821474   -1.765334   -0.221091
C      -4.140774   -1.708226    0.224269
C      -4.684095   -0.500629    0.664940
C      -3.925871    0.663785    0.663973
H      -3.018047    3.316061    0.951832
H      -1.356816    5.127375    0.778746
H       0.922307    4.673149   -0.093068
H       1.549845    2.368247   -0.799746
H      -2.378514   -2.689481   -0.575633
H      -4.742731   -2.611303    0.222928
H      -5.712748   -0.466312    1.009242
H      -4.365505    1.596275    1.004084
C       3.547126    0.074350   -0.663470
C       3.374281   -0.992605    0.394274
C       2.730662   -0.385917    1.634194
O       2.358094    0.773444    1.641438
O       2.640753    0.334209   -1.440598
C       4.840373    0.828092   -0.672029
C       2.580105   -1.297097    2.816854
H       2.711876   -1.787565    0.027646
H       4.330860   -1.446374    0.675397
H       4.826449    1.608686   -1.434147
H       4.997727    1.269285    0.319692
H       5.669206    0.135002   -0.853233
H       2.048346   -0.787481    3.621763
H       3.571427   -1.608718    3.164152
H       2.040748   -2.203536    2.520795
C      -0.123941   -3.765945    0.602606
O      -0.021268   -3.249258   -0.720467
H       0.731272   -4.406860    0.845073
H      -1.050358   -4.333096    0.743099
H      -0.132475   -2.908935    1.281963
H      -0.156172   -3.974618   -1.350256

