75
Lattice="12.9163475171 0.0 0.0 0.0 14.5582755159 0.0 0.0 0.0 12.759977926000001" Properties=species:S:1:pos:R:3 pbc="F F F"
C        3.86996543       8.41619759       5.96908999
C        2.95784469       8.45710650       4.92087128
C        1.57142855       8.69548539       5.17744811
C        1.05418668       8.89419873       6.43056714
C        1.96372309       8.85289623       7.50361851
N        1.77313799       9.02983211       8.82737160
N        3.97731264       8.65888715       8.46739094
C        3.34492470       8.61813369       7.27639421
H        0.90314940       8.71319404       4.32452510
C        3.38004614       8.26503804       3.48681225
H        2.56938239       7.82911052       2.90109388
H        3.64718994       9.22060386       3.02790373
H        4.25365719       7.61852086       3.40646215
N        2.99356157       8.90636024       9.32212696
C        3.23916412       8.97299116      10.75250460
H        3.21835450       7.97050442      11.18229956
H        2.45838924       9.58090318      11.20058079
H        4.21696038       9.41954475      10.91316858
C        9.75527214       7.09779838       5.81138838
C        9.80887175       8.23780997       4.97867403
C        8.73089047       9.04112830       4.63653469
C        7.49847332       8.59641342       5.17193898
C        7.41262554       7.43757857       6.02216226
C        8.53878829       6.66628408       6.36211667
C        8.48934642       5.51219292       7.28387220
C        8.50322220       5.51179584       8.66690311
C        8.44359513       4.16606771       9.09925794
C        8.40285792       3.36621593       7.96571556
C        5.31440961       8.25022996       5.76613301
C        6.15793751       9.04481525       5.04019826
F        5.74263413      10.11558158       4.33647139
C        8.87411523      10.25428673       3.82836583
C        8.31916948      11.48488176       4.03982626
C        8.65346038      12.46976875       3.06322184
C        9.47820306      11.97775383       2.08562503
S        9.86121397      10.29532735       2.37363839
O       11.10474447       8.47767259       4.59862878
C       11.85967002       7.49688896       5.18513076
C       11.12883217       6.63639685       5.92809781
H        8.54590464       6.39771829       9.27749586
H        7.68310361      11.69583452       4.88791903
C        8.11724863      13.87336275       3.12437962
H        8.68745883      14.55827552       2.49645204
H        7.07548700      13.91443652       2.79201682
H        8.14592986      14.25720832       4.14659047
C       11.67081939       5.47675796       6.70235756
H       11.41743672       5.54784968       7.76144420
H       11.27160640       4.52518124       6.34391616
H       12.75771497       5.43556020       6.61342951
S        8.27071636       1.61406667       7.85565946
C       10.04125494       1.08983228       7.88421968
H       10.51830948       1.44098854       8.79639417
H       10.57365890       1.45843909       7.00937887
H       10.03724242       0.00000000       7.87137002
C       10.02677870      12.66467957       0.87295081
H        9.38167304      12.52382700       0.00000000
H       10.11788344      13.73846327       1.04329526
H       11.01736551      12.28788800       0.61183357
S        8.40587137       3.52322234      10.75524683
C        8.80411863       5.02564494      11.71900003
H        9.77421392       5.43141264      11.43517175
H        8.83986406       4.70778042      12.75997793
H        8.03195163       5.78579611      11.60867832
N        6.08333358       7.25411402       6.36639082
C        5.51577636       6.13396870       7.10452013
H        5.68560579       6.23370374       8.17550115
H        5.94504959       5.19398872       6.76429898
H        4.44505404       6.11090590       6.91913334
N        8.42617678       4.20758316       6.85665603
C        8.39634018       3.76653570       5.47153219
H        8.25263399       4.63580938       4.83467761
H        7.58118332       3.06079480       5.31780422
H        9.33227082       3.27789593       5.19238031
H        0.00000000       9.07379230       6.59454570
H       12.91634752       7.54713880       4.98122573