82
Lattice="21.4497301911 0.0 0.0 0.0 10.232583863399999 0.0 0.0 0.0 8.5483264537" Properties=species:S:1:pos:R:3 pbc="F F F"
C        4.74266165       7.10449676       5.07198864
C        3.42950111       6.97666491       5.48327843
C        2.81554270       7.92709940       6.41118668
C        3.51562623       8.94788883       6.97493100
C        4.88420569       9.06755044       6.62330784
N        5.78027108       9.94536590       7.01390961
O        6.92185066       9.59880204       6.34130073
N        6.74869332       8.50651859       5.53124661
C        5.49297517       8.15755303       5.69995218
O        1.47888569       7.82190675       6.66981120
C        1.07812480       6.78547121       7.57327592
H        1.55549657       6.92175099       8.54832645
H        1.31572630       5.79703222       7.17812975
H       -0.00000000       6.88180503       7.68098471
O        2.57002361       6.01842585       5.05254893
C        2.99304802       4.64781810       4.97494822
H        3.35442653       4.40092440       3.97861814
H        2.10984959       4.05291073       5.20352554
H        3.77958271       4.44209274       5.70348608
C       10.81402827       4.44924416       3.08753892
C       10.16940935       3.35340255       2.56401011
C        8.76179123       3.49384303       2.47591782
C        8.31157686       4.72106418       2.92186098
S        9.65193265       5.72249034       3.44581623
C        6.96951122       5.25409760       2.97143929
C        5.94751338       5.34177354       2.05980061
C        4.89402189       6.03584238       2.72602570
C        5.33326992       6.34261367       3.98115560
O        6.60436983       5.87556196       4.14326578
H        3.93986866       6.31431315       2.30728789
H       10.69516143       2.46701893       2.24962577
C        5.93655691       4.88978862       0.63492662
H        5.38114594       3.95680658       0.51251069
H        5.46565862       5.64329189      -0.00000000
H        6.94739312       4.72145554       0.26331585
S        7.69403187       2.19761573       1.85971559
C        8.08538767       0.84338108       3.03935087
H        9.13110629       0.54999959       2.97152731
H        7.46048839      -0.00000000       2.74701081
H        7.84174508       1.13947212       4.05802273
C       15.15000572       4.97786838       3.85839232
C       14.52853068       3.74407959       3.80295377
C       13.11020035       3.56931121       3.58817985
C       12.24014290       4.61640823       3.34204940
C       12.86849387       5.90679844       3.37320634
N       12.31515491       7.08619538       3.20554534
O       13.33069884       7.98310214       3.37049663
N       14.52708792       7.38128475       3.63710544
C       14.26711822       6.09186205       3.64403457
O       12.64953305       2.27853396       3.59080861
C       12.47237206       1.69920155       4.89714606
H       11.71829260       2.25600759       5.45836253
H       13.41531475       1.68303303       5.44480213
H       12.12628231       0.68105979       4.73150957
O       15.26761349       2.61167541       4.02236610
C       15.56952739       1.83520341       2.84721610
H       16.15443128       2.42903012       2.14078250
H       14.65466802       1.47824272       2.37369935
H       16.16187624       0.98923653       3.18960093
C       20.22405906       9.46520250       2.70078897
C       20.70910189       9.29504168       3.95933041
C       20.12842717       8.18308205       4.64104742
C       19.21251194       7.49712797       3.87169385
S       19.04960811       8.25624400       2.29274146
C       18.43828951       6.31235554       4.16764438
C       18.74965249       5.07017102       4.66634653
C       17.53824509       4.32659652       4.63559177
C       16.56348352       5.14042005       4.11379917
O       17.11229849       6.35688605       3.82252847
H       17.39862718       3.31118190       4.96083123
H       21.44973019       9.93770386       4.41340771
C       20.08155320       4.55871170       5.11108909
H       20.18801777       4.61668945       6.19654250
H       20.20801912       3.51531908       4.81495636
H       20.89506541       5.13822448       4.67443012
S       20.52397859       7.79247647       6.34317812
C       19.42026690       8.98161624       7.21357700
H       19.66835676      10.00749318       6.94830982
H       19.59397095       8.83255713       8.27892480
H       18.37762328       8.77346975       6.98262624
H        3.03534761       9.64282466       7.64861608
H       20.47574183      10.23258386       1.98607858