102
ICG_water_protonation.log	Energy: -1999895.1894169
C         -3.65017       -0.85144       -0.17302
H         -3.43496        0.21518       -0.21006
C         -2.48020       -1.66774       -0.18730
H         -2.55987       -2.75103       -0.18268
C         -1.22935       -1.07645       -0.21482
H         -1.20389        0.01557       -0.21998
C          0.02074       -1.71825       -0.23460
H          0.05765       -2.80780       -0.23044
C          1.21534       -0.99243       -0.25715
H          1.13031        0.09606       -0.25533
C          2.50447       -1.51842       -0.27373
H          2.61388       -2.59962       -0.26956
C          3.64199       -0.67847       -0.29707
H          3.41440        0.38478       -0.30314
C         -4.96215       -1.18831       -0.12765
N         -5.95545       -0.05577       -0.14912
C         -7.14248       -2.07561        0.13360
C         -7.25773       -0.70958        0.10528
C         -5.68986       -2.52509       -0.02692
C         -5.46900       -3.36010       -1.31567
H         -4.40188       -3.55115       -1.46311
H         -5.97666       -4.32677       -1.25906
H         -5.84463       -2.82621       -2.19400
C         -5.20395       -3.30049        1.22647
H         -4.13524       -3.51778        1.15414
H         -5.37157       -2.71123        2.13312
H         -5.72952       -4.25246        1.33355
C         -8.32799       -2.85309        0.32778
C         -9.57098       -2.14786        0.50426
C         -9.59997       -0.72490        0.47927
H        -10.55004       -0.21904        0.62317
C         -8.45585        0.00839        0.27594
H         -8.47915        1.09282        0.25486
C         -8.35595       -4.27481        0.35366
H         -7.44079       -4.83605        0.21549
C         -9.53645       -4.95993        0.54664
H         -9.53038       -6.04587        0.56059
C        -10.76736       -2.88761        0.70354
H        -11.69789       -2.34246        0.83730
C        -10.75422       -4.26387        0.72555
H        -11.67591       -4.81760        0.87792
C         -5.95449        0.80456       -1.44499
H         -5.16092        0.39485       -2.06980
H         -6.91215        0.60855       -1.92720
C         -5.76245        2.30021       -1.19378
H         -6.02863        2.78901       -2.13919
H         -6.49050        2.66198       -0.45590
C         -4.33590        2.71995       -0.80129
H         -4.04154        2.28630        0.16176
H         -3.62925        2.35118       -1.55411
C         -4.20165        4.23850       -0.69591
H         -4.81452        4.64245        0.11587
H         -4.49753        4.73377       -1.62627
S         -2.50138        4.79326       -0.36474
O         -1.66766        4.33295       -1.52998
O         -2.05365        4.09422        0.89008
O         -2.58961        6.27069       -0.23484
C          4.97749       -1.02754       -0.28954
N          5.98630       -0.08483       -0.35432
C          7.11142       -2.07049       -0.17902
C          7.24459       -0.69246       -0.26669
C          5.19399       -3.12509        1.11707
H          4.11528       -3.30082        1.13693
H          5.69446       -4.09124        1.22417
H          5.45436       -2.51073        1.98491
C          5.62236       -2.42220       -0.19570
C          5.25594       -3.26879       -1.44179
H          5.55495       -2.75246       -2.35960
H          5.76278       -4.23742       -1.41793
H          4.17958       -3.45400       -1.49111
C          8.26519       -2.89367       -0.09626
C          9.55399       -2.24374       -0.09919
C          9.62917       -0.82642       -0.18219
H         10.60976       -0.35766       -0.17663
C          8.50030       -0.04383       -0.26472
H          8.58190        1.03615       -0.31838
C          8.24290       -4.31781       -0.01066
H          7.29426       -4.84128       -0.00711
C         10.73342       -3.03146       -0.01613
H         11.69523       -2.52385       -0.01883
C         10.67012       -4.40444        0.06546
H         11.57997       -4.99442        0.12800
C          9.40867       -5.04791        0.06727
H          9.35891       -6.13157        0.13117
C          5.78112        1.35513       -0.49043
H          4.94254        1.50784       -1.17590
H          6.66328        1.77049       -0.98575
C          5.54303        2.06687        0.85156
H          4.64548        1.66016        1.32810
H          6.38724        1.84160        1.51452
C          5.43073        3.59356        0.71295
H          6.31064        3.97050        0.17410
H          5.46471        4.04403        1.71050
C          4.19276        4.13972       -0.01071
H          4.02423        3.67870       -0.98850
H          4.30385        5.21686       -0.16714
S          2.62632        3.97374        0.90555
O          1.65998        4.87372        0.18305
O          2.17201        2.54193        0.78414
O          2.90573        4.39566        2.30425
Na        -0.02787        3.24038       -0.13852
H         -5.74474        0.57678        0.63163
