TTM2-F 21 water cluster
63
flexible geo
O -0.7626556 0.7955656 -4.055272
H -1.023988 0.8061032 -4.973076
H -1.473548 0.3447311 -3.566583
O -2.641910 -0.5360879 -2.634456
H -3.169670 -0.1482996 -1.926429
H -2.472133 -1.453080 -2.386975
O 1.190327 -0.5368034 -2.576686
H 0.6151912 -4.5269981E-02 -3.176947
H 2.045450 -9.1165759E-02 -2.530063
O -7.8336559E-02 3.036685 -2.394974
H -0.2958413 2.370165 -3.056374
H -0.7012908 2.883661 -1.670905
O 0.6976267 -3.189811 -1.945954
H 0.9337912 -2.305351 -2.260645
H 1.248182 -3.351630 -1.170866
O -1.991214 -3.204124 -1.837813
H -1.021808 -3.256645 -1.916599
H -2.342263 -4.018641 -2.189473
O 3.661948 0.6312962 -2.015106
H 4.520100 0.6388161 -2.432178
H 3.726804 4.0378429E-02 -1.243545
O 2.273190 2.904107 -0.9505900
H 1.488104 3.007701 -1.507903
H 2.793419 2.189457 -1.333520
O -4.083248 0.7333508 -0.5074820
H -3.915333 0.3475451 0.3694333
H -5.001402 0.9935830 -0.5233477
O -1.658404 2.148356 -0.2613934
H -1.066081 1.381285 -0.2108260
H -2.547229 1.798316 -0.3881833
N 4.4973597E-02 -3.2417279E-02 -6.3130349E-02
H 0.4584876 -0.2041848 -0.9191018
H 0.7474414 0.1315192 0.5782230
O 2.303059 -3.479982 0.3991867
H 2.739867 -4.296370 0.6338478
H 1.677293 -3.284880 1.116997
O -1.627687 -2.083137 0.7026833
H -1.860594 -2.567856 -9.7549580E-02
H -1.045887 -1.357572 0.4231945
O 3.633377 -0.9708447 0.1497779
H 3.173715 -0.4695725 0.8382270
H 3.253448 -1.856935 0.1748831
O -3.414311 -0.3465477 1.886894
H -2.893231 0.1099232 2.555723
H -2.850640 -1.059850 1.551535
O 1.988436 3.236514 1.685222
H 2.562966 3.943749 1.968242
H 2.089952 3.163715 0.7184324
O 2.013392 0.4552076 1.897802
H 2.049873 1.420397 1.928245
H 1.568902 0.1441866 2.695253
O -0.7833953 2.941784 2.238710
H -1.157539 2.789360 1.358876
H 0.1500230 3.139509 2.099579
O 0.4723070 -2.897206 2.322282
H 0.5111958 -2.186702 2.971082
H -0.3340178 -2.737642 1.810709
O -1.746464 1.019344 3.831603
H -2.284734 1.428532 4.506265
H -1.400351 1.739850 3.274868
O 0.5048159 -0.5768914 4.048685
H -0.3150222 -6.1905354E-02 3.996819
H 0.7302647 -0.6414666 4.974938