101
ICG_water.log	Energy: -1999552.3707280
C         -3.69376       -0.58815       -1.38562
H         -3.59743        0.40431       -1.81251
C         -2.48790       -1.28198       -1.21963
H         -2.48456       -2.29192       -0.82016
C         -1.25233       -0.69994       -1.49269
H         -1.23967        0.32107       -1.87452
C         -0.02583       -1.30994       -1.21934
H         -0.02976       -2.33933       -0.85871
C          1.19977       -0.65226       -1.32811
H          1.19340        0.38601       -1.66003
C          2.42455       -1.22068       -0.98108
H          2.42248       -2.26477       -0.68118
C          3.61550       -0.48556       -0.98347
H          3.50765        0.56251       -1.24361
C         -4.96742       -0.97659       -0.98362
N         -6.05514       -0.16930       -1.12020
C         -6.90322       -2.04539       -0.11827
C         -7.21211       -0.78517       -0.59718
C         -5.40929       -2.28925       -0.31450
C         -5.14523       -3.48310       -1.26746
H         -4.07679       -3.60867       -1.46000
H         -5.51971       -4.41234       -0.83126
H         -5.64991       -3.33056       -2.22645
C         -4.69918       -2.46535        1.05315
H         -3.62206       -2.60029        0.93146
H         -4.86501       -1.59029        1.68912
H         -5.09095       -3.34180        1.57492
C         -7.92043       -2.86132        0.44588
C         -9.25559       -2.31790        0.49568
C         -9.50976       -1.01148       -0.00541
H        -10.52293       -0.62295        0.04955
C         -8.51166       -0.23632       -0.54966
H         -8.72604        0.75997       -0.91890
C         -7.71571       -4.17411        0.96257
H         -6.72613       -4.61454        0.94112
C         -8.75869       -4.90150        1.49275
H         -8.57403       -5.89984        1.87937
C        -10.30457       -3.09910        1.05060
H        -11.30531       -2.67530        1.08100
C        -10.06747       -4.36386        1.53970
H        -10.87870       -4.95045        1.96086
C         -6.09013        1.16327       -1.73781
H         -5.33945        1.19413       -2.53070
H         -7.06018        1.24975       -2.23259
C         -5.90466        2.33403       -0.75388
H         -6.26473        3.23516       -1.26671
H         -6.56222        2.18477        0.11168
C         -4.45715        2.56599       -0.29262
H         -4.06867        1.68440        0.22668
H         -3.82119        2.73431       -1.17072
C         -4.34114        3.77645        0.63314
H         -4.82199        3.59557        1.59964
H         -4.79589        4.66838        0.18937
S         -2.62455        4.25066        1.00217
O         -1.99466        4.61668       -0.31489
O         -1.94002        3.03766        1.57235
O         -2.72554        5.38707        1.95553
C          4.89570       -0.92414       -0.65649
N          5.96962       -0.09059       -0.67042
C          6.86168       -2.09870       -0.03517
C          7.14573       -0.76838       -0.28831
C          4.68283       -2.75401        1.08220
H          3.60443       -2.87466        0.95509
H          5.08872       -3.70663        1.43134
H          4.85404       -2.00615        1.86257
C          5.36639       -2.32774       -0.24332
C          5.09732       -3.33690       -1.38875
H          5.57604       -3.00603       -2.31558
H          5.49589       -4.32201       -1.13455
H          4.02619       -3.44488       -1.57729
C          7.90058       -2.98529        0.35613
C          9.22984       -2.43831        0.47613
C          9.45764       -1.05989        0.20949
H         10.46717       -0.67165        0.31257
C          8.43895       -0.21629       -0.16947
H          8.63293        0.83279       -0.36141
C          7.72229       -4.37140        0.63715
H          6.73759       -4.81602        0.55693
C         10.29952       -3.28884        0.86437
H         11.29555       -2.86167        0.95065
C         10.08789       -4.62355        1.12702
H         10.91486       -5.26252        1.42266
C          8.78490       -5.16467        1.01090
H          8.62038       -6.21822        1.21881
C          5.92444        1.34441       -0.97002
H          5.21414        1.49478       -1.78641
H          6.90336        1.62982       -1.36161
C          5.56729        2.19220        0.26235
H          4.63423        1.82686        0.70279
H          6.35391        2.05515        1.01346
C          5.44157        3.68953       -0.06734
H          6.28486        3.99585       -0.70042
H          5.52744        4.27061        0.85681
C          4.14866        4.11425       -0.77825
H          3.87603        3.45562       -1.60839
H          4.25463        5.12637       -1.17989
S          2.68440        4.21075        0.30313
O          1.61345        4.83997       -0.54537
O          2.28066        2.80512        0.66490
O          3.08647        5.03632        1.47375
Na        -0.06575        3.20736        0.00582
