39
Lattice="13.2343013833 0.0 0.0 0.0 7.387848581 0.0 0.0 0.0 3.723510352400001" Properties=species:S:1:pos:R:3 pbc="F F F"
C        4.67086870       3.87732185       1.60633012
C        3.61861285       2.97581651       1.60354003
C        2.22992801       3.39844394       1.45714355
C        1.86776536       4.71121843       1.40766884
C        2.90892707       5.66666633       1.49647682
N        2.84960766       6.97996503       1.49655386
O        4.15440252       7.38784858       1.59418289
N        5.03111042       6.33877383       1.65312112
C        4.28012703       5.26145990       1.60116949
O        1.25976749       2.45359120       1.27745326
C        0.85165147       1.69861819       2.42213963
H        0.54181481       2.36497326       3.23292657
H        1.64310634       1.03354716       2.76821671
H        0.00000000       1.10369183       2.09910025
O        3.80115427       1.62091468       1.64790601
C        4.39885722       1.08079767       2.83912428
H        5.42855420       1.41337272       2.96251174
H        4.37673017       0.00000000       2.71626688
H        3.81479701       1.36239539       3.71930542
C       11.64009418       4.47106345       3.09385465
C       12.18901382       3.43910881       2.40007938
C       11.09668065       2.78306340       1.75416698
C        9.94933538       3.46365250       2.09800913
O       10.29689990       4.50379832       2.92785117
C        8.57101665       3.28362697       1.76440362
C        8.01394472       2.31142282       0.95957319
C        6.61506181       2.42713067       0.83941889
C        6.07371216       3.48347651       1.53585115
S        7.34411748       4.37905514       2.36580867
H        6.00937050       1.75458267       0.24948561
H       13.23430138       3.18552401       2.35820602
H        8.60507301       1.55151557       0.47145770
O       11.10218137       1.69739419       0.94519583
C       12.37280861       1.12060897       0.65822877
H       13.02511174       1.83587671       0.14900644
H       12.17912244       0.27717278       0.00000000
H       12.85978331       0.76407573       1.57055191
H        0.83410180       4.99852360       1.28193335
H       12.05819005       5.23642188       3.72351035