molecule.xyz

25

C         -2.03043       -7.02776        1.91131
C         -3.02001       -6.11648        1.55490
C         -2.55205       -4.85898        1.17223
C         -0.74691       -6.48160        1.80939
S         -0.96570       -4.92699        1.27622
C         -3.36434       -3.78577        0.76351
C         -3.02602       -2.51320        0.37335
C         -3.90582       -1.45107       -0.06374
N         -3.31103       -0.32726       -0.39186
C         -1.96114       -0.37578       -0.25318
S         -1.37044       -1.92080        0.32519
C         -1.12800        0.68633       -0.53863
C          0.27146        0.55421       -0.36226
N          1.41245        0.39641       -0.20196
C         -1.65627        1.91486       -1.01237
N         -2.06901        2.92786       -1.40359
N          0.42778       -7.07554        2.06908
C          0.54110       -8.47711        2.46852
C          1.72297       -6.40856        1.95103
C         -5.42179       -1.53184       -0.17424
C          2.03657       -8.75649        2.32415
C          2.68188       -7.39717        2.61037
C         -5.82435       -2.61871       -1.18757
C         -5.97275       -0.19228       -0.67743
C         -6.04171       -1.80924        1.20724