68
Lattice="23.185033048 0.0 0.0 0.0 8.675934529300001 0.0 0.0 0.0 4.3619534719" Properties=species:S:1:pos:R:3 pbc="F F F"
C        3.70885807       4.79748524       1.92284791
C        3.46443492       3.49257407       1.52839990
C        2.11642784       2.93405239       1.46816184
C        1.00050860       3.66037404       1.77969799
C        1.21599572       5.00524743       2.16949760
N        0.33868930       5.91964652       2.51588446
O        1.08672953       7.03736221       2.79584456
N        2.42762184       6.82073909       2.62673581
C        2.53155976       5.57181450       2.23696488
O        2.09636644       1.64566733       1.05808952
C        0.83407514       1.00437315       0.90484738
H        0.21685609       1.52418890       0.16723485
H        0.29926907       0.95007098       1.85723232
H        1.05425664       0.00000000       0.55236217
O        4.47653946       2.70683394       1.07926914
C        4.96921542       1.69522213       1.96968852
H        5.38687230       2.15272837       2.86915228
H        5.75864226       1.18123625       1.42608448
H        4.18247567       0.98623776       2.23113094
C       10.37704019       6.94101727       2.37774804
C       11.07876007       5.74890742       2.29772445
S        9.97340543       4.34702236       2.11635400
C        8.59395716       5.40714992       2.16929551
C        8.99030326       6.75081475       2.30673594
N        7.87325303       7.57470595       2.33594972
C        6.76760351       6.75898669       2.21944540
C        7.19473207       5.43978218       2.11755516
O        6.13981077       4.60208827       1.98852849
C        5.01094214       5.41274391       2.01060390
C        5.36064005       6.74503082       2.15368523
H        7.87915931       8.57449393       2.43055030
H       10.86729508       7.89608869       2.47771336
H        4.66046702       7.55938299       2.21210020
C       15.49124583       5.34368899       2.28774933
C       14.63213210       4.25234330       2.35440171
C       13.19175351       4.38429202       2.34130856
C       12.51674268       5.59994522       2.34311301
C       13.39357287       6.74167846       2.38474153
N       13.09671240       8.02004004       2.45289324
O       14.29496559       8.67593453       2.47572896
N       15.35455794       7.81367969       2.42478045
C       14.82503244       6.61317709       2.37555464
O       12.42778039       3.26345061       2.22471404
C       12.46157501       2.24924398       3.24077885
H       12.61472156       2.69191769       4.22776068
H       13.23957561       1.52000489       3.02692019
H       11.48476758       1.76958140       3.21412844
O       15.08259050       2.96500959       2.33753308
C       15.86089071       2.52721789       3.46159506
H       16.72535059       3.16468646       3.63506164
H       16.20097914       1.52398488       3.21535671
H       15.24079882       2.49554804       4.36195347
C       22.27904576       4.26737365       0.78404465
C       22.24029972       2.97407569       0.35075652
S       20.63378509       2.26046325       0.39293155
C       19.98045947       3.75140789       1.01878569
C       20.99061993       4.71725781       1.16710240
N       20.44898430       5.89254692       1.66630814
C       19.09376208       5.68128670       1.82414454
C       18.79750628       4.38305286       1.43607338
O       17.47756365       4.12489904       1.58619075
C       16.91760731       5.29924132       2.08639189
C       17.88516214       6.27603189       2.24490094
H       20.94624296       6.74955254       1.82950048
H       23.18503305       4.85532226       0.82243152
H       17.69596520       7.27443040       2.59704393
H        0.00000000       3.26107094       1.73423338
H       23.06427820       2.37408387      -0.00000000