168       
Properties=species:S:1:pos:R:3 energy_units=eV position_units=Angstrom pbc="F F F"
H 15.977394 22.447748 12.652308
O 15.934837 21.725691 12.021100
H 11.198242 17.121592 12.721114
O 11.036899 17.766010 13.414146
H 25.469110 23.861298 9.147630
O 25.274271 24.506090 9.831648
N 26.079052 22.008629 10.353636
H 26.828920 22.188286 11.005957
H 26.476059 21.848362 9.438869
C 25.255365 20.859957 10.881895
H 25.855997 19.962492 11.029875
C 24.679970 21.328056 12.251967
H 24.066259 22.180164 11.959783
H 24.039766 20.560501 12.686829
C 25.656582 21.656853 13.335051
C 25.781727 22.924440 13.985729
H 25.117882 23.723089 13.689300
C 26.920486 23.188217 14.817858
H 27.028845 24.187286 15.213489
C 27.828148 22.157234 15.148072
O 28.919750 22.427666 15.903917
H 28.833572 23.281124 16.334948
C 27.621696 20.859421 14.564371
H 28.330177 20.075338 14.787234
C 26.590107 20.617577 13.664940
H 26.515606 19.624189 13.247765
C 24.045408 20.668030 9.915052
O 23.971022 21.436346 8.937228
N 23.118341 19.767002 10.256705
H 23.279449 19.175835 11.059620
C 21.913073 19.448481 9.464252
H 21.791695 20.127869 8.620567
C 22.016060 18.037359 8.925153
H 22.367683 17.317244 9.664001
H 21.026447 17.663803 8.662038
C 22.901459 17.953838 7.689657
C 24.208729 17.400906 7.835875
H 24.518530 17.065327 8.814553
C 25.031174 17.203598 6.666543
H 26.005857 16.743227 6.733372
C 24.520037 17.575577 5.403266
O 25.227072 17.365156 4.260644
H 25.923706 16.742638 4.481490
C 23.293133 18.209562 5.320855
H 22.989723 18.551079 4.342227
C 22.548349 18.456930 6.459486
H 21.557219 18.852482 6.293329
C 20.647032 19.512899 10.310564
O 20.638508 19.029558 11.436016
N 19.633997 20.267897 9.811782
H 19.664726 20.685675 8.892753
C 18.342678 20.460672 10.513783
H 18.550032 20.455269 11.583868
C 17.845192 21.889570 10.294111
H 18.515026 22.623224 10.742631
H 17.899355 22.105984 9.227183
C 16.361843 22.188210 10.737105
O 15.513977 22.633486 9.895174
C 17.251873 19.420477 10.142146
O 16.859575 19.453842 8.951969
N 16.774214 18.514755 11.046894
C 17.237200 18.414364 12.428378
H 16.936483 19.314301 12.964836
H 18.286926 18.124199 12.472848
C 16.365044 17.341070 13.061294
H 15.533296 17.769505 13.620527
H 16.965776 16.747162 13.750134
C 15.821461 16.542019 11.886960
H 14.868923 16.091541 12.165949
H 16.506025 15.737439 11.618409
C 15.785500 17.452658 10.697871
H 16.210293 16.927082 9.842642
C 14.392089 17.901716 10.291065
O 13.721857 17.256912 9.463888
N 14.020153 19.071468 10.713664
H 14.651147 19.509716 11.369323
C 12.694586 19.705235 10.418079
H 11.915502 18.942917 10.417858
C 12.270938 20.720680 11.516928
H 13.068849 21.441401 11.695819
H 11.397348 21.258965 11.149243
C 11.945187 20.020683 12.864751
H 12.833213 19.561630 13.299241
H 11.730549 20.745363 13.650161
C 10.802308 19.049026 12.827856
O 9.761118 19.368881 12.274107
C 12.584520 20.194757 8.958282
O 11.585292 19.839310 8.317754
N 13.676614 20.918762 8.393744
H 14.411386 21.212206 9.021519
C 13.687266 21.319340 6.914241
H 12.684039 21.137226 6.528915
C 14.065108 22.797773 6.671796
H 14.263346 22.866695 5.602192
C 13.037901 23.779667 7.156800
H 13.132316 23.899757 8.236042
H 13.259384 24.746407 6.704628
H 12.070498 23.444586 6.782700
O 15.295784 23.132332 7.196381
H 15.251305 23.020391 8.148795
C 14.634620 20.516518 6.010519
O 14.448647 20.624214 4.766037
N 15.451788 19.611408 6.510067
H 15.402782 19.477331 7.509927
C 16.394670 18.705906 5.826936
H 16.870523 18.079790 6.581682
H 15.820625 18.118160 5.110609
C 17.420055 19.462343 5.008249
O 17.668964 19.097235 3.857435
N 17.961193 20.561104 5.529950
H 17.769096 20.811691 6.489334
C 19.096554 21.383202 4.964246
H 19.428852 20.957870 4.017265
C 18.599062 22.806656 4.648392
H 19.418560 23.440950 4.310466
C 17.465012 22.875603 3.603335
H 16.531818 22.396339 3.899234
H 17.279276 23.909531 3.312483
H 17.756582 22.317844 2.713395
O 18.101538 23.438721 5.846444
H 18.259865 24.383614 5.785522
C 20.308998 21.524033 5.899653
O 20.108759 21.558151 7.124929
N 21.481541 21.845034 5.318446
H 21.578501 21.713259 4.321784
C 22.707497 22.309435 6.009640
H 22.878109 21.537979 6.760538
C 23.921297 22.244419 5.081448
H 23.956404 21.247404 4.642329
H 23.764935 22.830894 4.176073
C 25.282373 22.605551 5.591990
C 25.905573 23.827154 5.476971
H 25.592396 24.705933 4.932849
N 27.106529 23.830824 6.204796
H 27.790611 24.567297 6.106095
C 27.229433 22.698233 6.991581
C 28.272530 22.226364 7.777435
H 29.124210 22.835333 8.042387
C 28.278610 20.925533 8.247288
H 29.148779 20.572021 8.780432
C 27.167671 20.102804 7.984289
H 27.175148 19.084959 8.345312
C 26.223591 20.540428 7.029635
H 25.540089 19.801052 6.639058
C 26.124723 21.886978 6.590877
C 22.511150 23.715996 6.651800
O 21.701141 24.563301 6.108775
N 23.251570 24.027908 7.750855
H 23.953880 23.381195 8.080437
C 23.315723 25.383480 8.364977
H 23.211502 26.100328 7.550501
C 22.070213 25.569878 9.375133
H 22.093353 26.613483 9.688902
H 21.150381 25.391466 8.818186
C 22.023365 24.620245 10.582355
C 22.569761 25.141388 11.788844
H 22.994724 26.130550 11.874652
C 22.369564 24.398041 13.012880
H 22.664621 24.796465 13.972359
C 21.821098 23.087654 12.910381
O 21.622164 22.317610 14.052601
H 22.334173 22.489269 14.673229
C 21.231915 22.640827 11.684738
H 20.720158 21.689888 11.699411
C 21.390093 23.369659 10.470487
H 20.982439 22.974171 9.551895
C 24.588737 25.620977 9.255481
O 24.949394 26.764679 9.513403