68
Lattice="24.8251516696 0.0 0.0 0.0 8.1841571399 0.0 0.0 0.0 9.0576565778" Properties=species:S:1:pos:R:3 pbc="F F F"
C        3.83674575       5.55199862       6.15514878
C        3.49534985       5.97626225       7.43160140
C        2.16695359       6.28854842       7.78170365
C        1.09529962       6.19456986       6.93799933
C        1.40903575       5.75565043       5.63728220
N        0.60249670       5.54981646       4.57737935
N        2.71976088       5.05292503       3.95968754
C        2.74242776       5.44329801       5.24913688
F        1.96285074       6.69652067       9.05765658
H        4.24347488       6.06647496       8.20647470
N        1.44070571       5.13520824       3.63814308
C        0.97971722       4.85414431       2.28884211
H        1.69772868       4.18754290       1.82018373
H        0.90899205       5.78181234       1.71962445
H       -0.00000000       4.38734592       2.34950990
C       10.43149131       3.29944000       3.39329467
C        9.65093472       2.89411461       2.33678937
C        8.31014685       3.25616073       2.66158337
C        8.34625003       3.85974445       3.88744582
O        9.63836977       3.89512442       4.33755465
C        7.35161046       4.44585931       4.74121733
C        7.55299428       5.15784101       5.90136483
C        6.35546456       5.61435273       6.48486692
C        5.21679112       5.26316867       5.79351663
S        5.64825536       4.34031869       4.35660462
H        6.33286449       6.20688486       7.38847588
H        7.44291536       3.11490739       2.03808343
H        8.53751217       5.35340011       6.30018842
S       10.21539883       2.23652030       0.78707394
C        9.68183064       0.48183624       0.93264737
H        9.97376575       0.00000000      -0.00000000
H        8.60177683       0.41247836       1.04804202
H       10.18796353       0.00128640       1.76619906
C       14.75133852       3.19470385       4.22105577
C       14.03416875       2.09812045       3.76434779
C       12.65496869       2.15306145       3.50771015
C       11.85634016       3.26806993       3.67342586
C       12.56763022       4.39690348       4.16841548
N       12.12268286       5.63991847       4.43218323
N       14.34111334       5.58561166       4.85055338
C       13.96545180       4.36309568       4.42934015
F       12.09144953       0.98984248       3.11155494
H       14.51598266       1.14246498       3.61332733
N       13.21616257       6.27641521       4.82379808
C       13.16398967       7.65782727       5.27265647
H       14.14977476       8.09344177       5.13752489
H       12.88357217       7.69597569       6.32602592
H       12.42263291       8.18415714       4.67732930
C       20.97584239       5.42192138       6.91640018
C       21.84904807       4.46599360       6.49618707
C       21.07818198       3.52538266       5.74095901
C       19.78618763       3.97245966       5.75935898
O       19.72029029       5.14164055       6.47736045
C       18.56177535       3.47455823       5.19490631
C       18.38262329       2.33023074       4.45027306
C       17.05257582       2.14090472       4.03480834
C       16.18454453       3.12826132       4.45229804
S       17.05547124       4.34522018       5.37839618
H       16.74217255       1.30235377       3.42791735
H       21.44977640       2.64563887       5.24316845
H       19.18725718       1.65195051       4.20336941
S       23.60356955       4.47716700       6.77247524
C       23.76254538       3.15114737       8.03863674
H       24.82515167       3.07520588       8.26686141
H       23.41189717       2.19685622       7.65015777
H       23.21564886       3.41438095       8.94198605
H        0.09063370       6.43595919       7.25262816
H       21.09382117       6.31998120       7.49639196