File: HINFile_test3.hin

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parent folder | download | duplicates (9)
; HyperChem file created by BALL
;
forcefield AMBER
sys 0
mol 1 "HOH"
/atom 1 NAME O OW - -0.83[0-9]* 0.59[0-9]* -0.41[0-9]* -0.86[0-9]* 2 2 s 3 s
/vel 1 4.69[0-9]* 4.84[0-9]* 2.58[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.49[0-9]* -0.81[0-9]* 0.01[0-9]* 1 1 s
/vel 2 -2.12[0-9]* -2.97[0-9]* -18.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.46[0-9]* 0.56[0-9]* -0.68[0-9]* 1 1 s
/vel 3 8.71[0-9]* 3.22[0-9]* 4.76[0-9]*
endmol 1
mol 2 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.31[0-9]* -0.46[0-9]* 1.82[0-9]* 2 2 s 3 s
/vel 1 10.86[0-9]* 0.10[0-9]* -3.94[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.48[0-9]* -0.76[0-9]* 2.76[0-9]* 1 1 s
/vel 2 -13.95[0-9]* 19.57[0-9]* -14.55[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.10[0-9]* 0.35[0-9]* 1.96[0-9]* 1 1 s
/vel 3 -11.83[0-9]* 9.91[0-9]* 13.78[0-9]*
endmol 2
mol 3 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.10[0-9]* -2.10[0-9]* 0.79[0-9]* 2 2 s 3 s
/vel 1 -0.67[0-9]* -5.87[0-9]* 4.03[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.60[0-9]* -1.36[0-9]* 1.21[0-9]* 1 1 s
/vel 2 1.33[0-9]* -18.82[0-9]* 13.86[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.44[0-9]* -2.20[0-9]* 1.47[0-9]* 1 1 s
/vel 3 0.94[0-9]* -13.32 -1.59[0-9]*
endmol 3
mol 4 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.59[0-9]* -2.10[0-9]* -1.81[0-9]* 2 2 s 3 s
/vel 1 7.07[0-9]* 0.34[0-9]* -5.60[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.53[0-9]* -2.10[0-9]* -0.84[0-9]* 1 1 s
/vel 2 -10.27[0-9]* -31.93[0-9]* 6.59[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.85[0-9]* -1.51[0-9]* -2.06[0-9]* 1 1 s
/vel 3 13.95[0-9]* 25.22[0-9]* -11.18[0-9]*
endmol 4
mol 5 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.85[0-9]* -1.21[0-9]* 0.53[0-9]* 2 2 s 3 s
/vel 1 1.55[0-9]* 0.09[0-9]* -8.06[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.03[0-9]* -1.10[0-9]* 1.07[0-9]* 1 1 s
/vel 2 -16.98[0-9]* -4.97[0-9]* 7.68[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.66[0-9]* -2.00[0-9]* -0.02[0-9]* 1 1 s
/vel 3 10.43[0-9]* 15.53[0-9]* -11.51[0-9]*
endmol 5
mol 6 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.29[0-9]* 3.63[0-9]* -1.15[0-9]* 2 2 s 3 s
/vel 1 5.73[0-9]* 5.80[0-9]* -3.61[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.82[0-9]* 3.10[0-9]* -1.78[0-9]* 1 1 s
/vel 2 9.54[0-9]* -14.73[0-9]* -16.35[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.44[0-9]* 3.17[0-9]* -1.12[0-9]* 1 1 s
/vel 3 11.40[0-9]* 7.72[0-9]* -13.15[0-9]*
endmol 6
mol 7 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.50[0-9]* -0.07[0-9]* -2.00[0-9]* 2 2 s 3 s
/vel 1 -0.99[0-9]* 6.24[0-9]* -6.06[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.40[0-9]* 0.78[0-9]* -2.47[0-9]* 1 1 s
/vel 2 4.58[0-9]* -4.91[0-9]* 12.85[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.74[0-9]* 0.20[0-9]* -1.11[0-9]* 1 1 s
/vel 3 -9.43[0-9]* 5.82[0-9]* -22.17[0-9]*
endmol 7
mol 8 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.16[0-9]* 1.87[0-9]* 2.13[0-9]* 2 2 s 3 s
/vel 1 -4.68[0-9]* -4.99[0-9]* 2.76[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.88[0-9]* 2.40[0-9]* 2.49[0-9]* 1 1 s
/vel 2 19.28[0-9]* -10.02[0-9]* 37.26[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.64[0-9]* 1.01[0-9]* 1.84[0-9]* 1 1 s
/vel 3 -2.40[0-9]* -8.70[0-9]* 19.24[0-9]*
endmol 8
mol 9 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.30[0-9]* 1.96[0-9]* 0.11[0-9]* 2 2 s 3 s
/vel 1 -1.76[0-9]* 1.34[0-9]* -5.59[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.74[0-9]* 1.89[0-9]* 0.97[0-9]* 1 1 s
/vel 2 6.84[0-9]* 4.06[0-9]* -3.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.35[0-9]* 2.68[0-9]* 0.27[0-9]* 1 1 s
/vel 3 12.77[0-9]* -12.94[0-9]* -2.05[0-9]*
endmol 9
mol 10 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.36[0-9]* 4.10[0-9]* -3.28[0-9]* 2 2 s 3 s
/vel 1 -0.41[0-9]* -5.14[0-9]* -0.17[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.35[0-9]* 4.76[0-9]* -3.11[0-9]* 1 1 s
/vel 2 1.06[0-9]* -2.69[0-9]* 19.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.12[0-9]* 4.60[0-9]* -3.55[0-9]* 1 1 s
/vel 3 6.25[0-9]* -18.64[0-9]* -14.87[0-9]*
endmol 10
mol 11 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.61[0-9]* 2.65[0-9]* -1.26[0-9]* 2 2 s 3 s
/vel 1 -1.29[0-9]* -2.66[0-9]* 5.33[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.10[0-9]* 3.46[0-9]* -1.19[0-9]* 1 1 s
/vel 2 -0.89[0-9]* 11.58[0-9]* 21.52[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.15[0-9]* 2.10[0-9]* -0.59[0-9]* 1 1 s
/vel 3 17.50[0-9]* -11.90[0-9]* 31.79[0-9]*
endmol 11
mol 12 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.00[0-9]* 2.20[0-9]* 2.36[0-9]* 2 2 s 3 s
/vel 1 4.47[0-9]* -0.32[0-9]* -5.24[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.48[0-9]* 1.73[0-9]* 1.62[0-9]* 1 1 s
/vel 2 8.96[0-9]* -6.74[0-9]* -1.91[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.70[0-9]* 2.68[0-9]* 2.80[0-9]* 1 1 s
/vel 3 -30.3[2-3][0-9]* 25.08[0-9]* -0.85[0-9]*
endmol 12
mol 13 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.67[0-9]* -4.23[0-9]* 0.01[0-9]* 2 2 s 3 s
/vel 1 2.39[0-9]* -0.41[0-9]* 0.81[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.33[0-9]* -3.59[0-9]* 0.42[0-9]* 1 1 s
/vel 2 -27.89[0-9]* 6.59[0-9]* -17.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.98[0-9]* -4.38[0-9]* -0.88[0-9]* 1 1 s
/vel 3 11.74[0-9]* 15.15[0-9]* 30.66[0-9]*
endmol 13
mol 14 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.17[0-9]* -1.96[0-9]* 3.98[0-9]* 2 2 s 3 s
/vel 1 3.17[0-9]* 3.33[0-9]* -4.21[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.92[0-9]* -1.77[0-9]* 4.90[0-9]* 1 1 s
/vel 2 -34.80[0-9]* 3.70[0-9]* -6.02[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.84[0-9]* -2.88[0-9]* 3.88[0-9]* 1 1 s
/vel 3 -22.91[0-9]* 21.23[0-9]* -8.37[0-9]*
endmol 14
mol 15 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.25[0-9]* -4.31[0-9]* -3.00[0-9]* 2 2 s 3 s
/vel 1 4.78[0-9]* 10.88[0-9]* 3.25[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.96[0-9]* -3.88[0-9]* -2.44[0-9]* 1 1 s
/vel 2 -2.90[0-9]* -28.00[0-9]* 3.25[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.06[0-9]* -3.64[0-9]* -3.68[0-9]* 1 1 s
/vel 3 -8.98[0-9]* 8.76 22.07[0-9]*
endmol 15
mol 16 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.73[0-9]* 1.55[0-9]* -2.74[0-9]* 2 2 s 3 s
/vel 1 0.90[0-9]* -3.21[0-9]* -0.67[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.52[0-9]* 2.44[0-9]* -3.06[0-9]* 1 1 s
/vel 2 0.95[0-9]* 30.19[0-9]* 25.76[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.62[0-9]* 1.65[0-9]* -2.41[0-9]* 1 1 s
/vel 3 -22.23[0-9]* 8.57[0-9]* 29.93[0-9]*
endmol 16
mol 17 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.74[0-9]* 3.02[0-9]* -3.59[0-9]* 2 2 s 3 s
/vel 1 -4.86[0-9]* 1.42[0-9]* 4.40[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.40[0-9]* 3.08[0-9]* -4.52[0-9]* 1 1 s
/vel 2 5.90[0-9]* 19.87[0-9]* 25.74[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.22[0-9]* 3.65[0-9]* -3.15[0-9]* 1 1 s
/vel 3 -0.02[0-9]* 6.53[0-9]* -5.92[0-9]*
endmol 17
mol 18 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.61[0-9]* -2.46[0-9]* -1.79[0-9]* 2 2 s 3 s
/vel 1 4.16[0-9]* 1.39[0-9]* -4.92[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.99[0-9]* -3.17[0-9]* -1.94[0-9]* 1 1 s
/vel 2 -4.38[0-9]* -2.72[0-9]* -9.08[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.06[0-9]* -1.66[0-9]* -1.79[0-9]* 1 1 s
/vel 3 6.69[0-9]* -8.71[0-9]* -3.92[0-9]*
endmol 18
mol 19 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.37[0-9]* 3.81[0-9]* 0.79[0-9]* 2 2 s 3 s
/vel 1 0.29[0-9]* 9.88[0-9]* -0.77[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.73[0-9]* 3.14[0-9]* 1.38[0-9]* 1 1 s
/vel 2 -4.45[0-9]* -27.90[0-9]* 8.07[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.96[0-9]* 4.59[0-9]* 0.94[0-9]* 1 1 s
/vel 3 12.01[0-9]* -3.89[0-9]* 23.75[0-9]*
endmol 19
mol 20 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.85[0-9]* -2.85[0-9]* 4.42[0-9]* 2 2 s 3 s
/vel 1 -0.76[0-9]* 3.28[0-9]* -8.04[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.95[0-9]* -2.58[0-9]* 5.37[0-9]* 1 1 s
/vel 2 2.69[0-9]* -4.15[0-9]* -12.35[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.86[0-9]* -2.78[0-9]* 4.33[0-9]* 1 1 s
/vel 3 20.48[0-9]* 8.10[0-9]* 5.71[0-9]*
endmol 20
mol 21 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.04[0-9]* 0.06[0-9]* 3.64[0-9]* 2 2 s 3 s
/vel 1 -1.07[0-9]* 1.30[0-9]* 3.06[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.38[0-9]* 0.69[0-9]* 3.20[0-9]* 1 1 s
/vel 2 16.90[0-9]* -4.62[0-9]* -5.76[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.12[0-9]* 0.46[0-9]* 4.54[0-9]* 1 1 s
/vel 3 -15.88[0-9]* -21.83[0-9]* -4.34[0-9]*
endmol 21
mol 22 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.21[0-9]* -3.25[0-9]* -2.03[0-9]* 2 2 s 3 s
/vel 1 -0.16[0-9]* -1.10[0-9]* -1.86[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.27[0-9]* -3.70[0-9]* -1.13[0-9]* 1 1 s
/vel 2 13.42[0-9]* -0.17[0-9]* 11.30[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.34[0-9]* -2.78[0-9]* -1.99[0-9]* 1 1 s
/vel 3 8.84[0-9]* -3.44[0-9]* -2.17[0-9]*
endmol 22
mol 23 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.07[0-9]* 0.77[0-9]* 4.46[0-9]* 2 2 s 3 s
/vel 1 4.90[0-9]* -0.30[0-9]* -1.62[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.21[0-9]* 1.63[0-9]* 3.94[0-9]* 1 1 s
/vel 2 11.55[0-9]* -22.91[0-9]* -25.90[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.56[0-9]* 0.19[0-9]* 3.90[0-9]* 1 1 s
/vel 3 17.91[0-9]* 19.49[0-9]* -28.90[0-9]*
endmol 23
mol 24 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.64[0-9]* 4.39[0-9]* 3.24[0-9]* 2 2 s 3 s
/vel 1 2.39[0-9]* 2.38[0-9]* -4.74[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.67[0-9]* 5.33[0-9]* 3.30[0-9]* 1 1 s
/vel 2 -14.99[0-9]* 6.12[0-9]* -7.56[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.55[0-9]* 4.08[0-9]* 4.18[0-9]* 1 1 s
/vel 3 29.41[0-9]* -16.64[0-9]* -13.49[0-9]*
endmol 24
mol 25 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.20[0-9]* -0.13[0-9]* -3.56[0-9]* 2 2 s 3 s
/vel 1 3.83[0-9]* 1.90[0-9]* -0.21[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.46[0-9]* 0.44[0-9]* -3.25[0-9]* 1 1 s
/vel 2 -8.22[0-9]* -12.10[0-9]* 14.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.75[0-9]* 0.40[0-9]* -4.10[0-9]* 1 1 s
/vel 3 -21.85[0-9]* -8.32[0-9]* 12.21[0-9]*
endmol 25
mol 26 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.26[0-9]* -2.44[0-9]* -5.01[0-9]* 2 2 s 3 s
/vel 1 0.09[0-9]* 1.43[0-9]* 4.95[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.94[0-9]* -1.65[0-9]* -4.50[0-9]* 1 1 s
/vel 2 9.40[0-9]* -2.95[0-9]* -3.41[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.82[0-9]* -1.96[0-9]* -5.68[0-9]* 1 1 s
/vel 3 -16.22[0-9]* -6.57[0-9]* 18.63[0-9]*
endmol 26
mol 27 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.22[0-9]* -1.76[0-9]* 1.72[0-9]* 2 2 s 3 s
/vel 1 0.01[0-9]* 2.52[0-9]* -3.24[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.71[0-9]* -1.67[0-9]* 0.89[0-9]* 1 1 s
/vel 2 8.31[0-9]* -17.01[0-9]* -13.77[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.50[0-9]* -1.79[0-9]* 2.34[0-9]* 1 1 s
/vel 3 -15.43[0-9]* -9.19[0-9]* -0.67[0-9]*
endmol 27
mol 28 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.69[0-9]* 4.18[0-9]* -3.16[0-9]* 2 2 s 3 s
/vel 1 6.69[0-9]* -3.24[0-9]* 0.80[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.58[0-9]* 3.40[0-9]* -2.60[0-9]* 1 1 s
/vel 2 -26.16[0-9]* 2.19[0-9]* 18.33[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.63[0-9]* 3.86[0-9]* -4.05[0-9]* 1 1 s
/vel 3 -7.99[0-9]* 25.4[2-3][0-9]* -20.27[0-9]*
endmol 28
mol 29 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.80[0-9]* -2.56[0-9]* 4.18[0-9]* 2 2 s 3 s
/vel 1 -0.99[0-9]* 1.83[0-9]* -3.51[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.43[0-9]* -1.71[0-9]* 3.98[0-9]* 1 1 s
/vel 2 -9.54[0-9]* 15.50[0-9]* 25.57[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.55[0-9]* -3.10[0-9]* 3.38[0-9]* 1 1 s
/vel 3 7.97[0-9]* 8.29[0-9]* -19.12[0-9]*
endmol 29
mol 30 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.59[0-9]* 2.22[0-9]* -2.82[0-9]* 2 2 s 3 s
/vel 1 -1.05[0-9]* 12.97[0-9]* 8.54[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.06[0-9]* 1.79[0-9]* -2.14[0-9]* 1 1 s
/vel 2 -8.24[0-9]* -2.23[0-9]* 20.46[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.22[0-9]* 1.86[0-9]* -3.65[0-9]* 1 1 s
/vel 3 -31.52[0-9]* 36.41[0-9]* 6.69[0-9]*
endmol 30
mol 31 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.57[0-9]* -4.31[0-9]* 0.22[0-9]* 2 2 s 3 s
/vel 1 2.31[0-9]* 0.59[0-9]* 0.72[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.45[0-9]* -4.57[0-9]* 1.13[0-9]* 1 1 s
/vel 2 -20.00[0-9]* 24.02[0-9]* -19.29[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.94[0-9]* -4.81[0-9]* -0.29[0-9]* 1 1 s
/vel 3 -7.98[0-9]* 37.60[0-9]* -1.35[0-9]*
endmol 31
mol 32 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.79[0-9]* -5.03[0-9]* 3.41[0-9]* 2 2 s 3 s
/vel 1 2.96[0-9]* -2.52[0-9]* 2.33[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.81[0-9]* -5.77[0-9]* 4.01[0-9]* 1 1 s
/vel 2 -6.78[0-9]* -19.39[0-9]* 17.27[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.11[0-9]* -4.46[0-9]* 3.81[0-9]* 1 1 s
/vel 3 -13.45[0-9]* 13.78[0-9]* 15.61[0-9]*
endmol 32
mol 33 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.58[0-9]* -4.16[0-9]* 4.61[0-9]* 2 2 s 3 s
/vel 1 -0.53[0-9]* 1.78[0-9]* -3.48[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.70[0-9]* -4.50[0-9]* 5.50[0-9]* 1 1 s
/vel 2 13.57[0-9]* -26.59[0-9]* -36.28[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.26[0-9]* -4.93[0-9]* 4.18[0-9]* 1 1 s
/vel 3 17.11[0-9]* 7.45[0-9]* 5.59[0-9]*
endmol 33
mol 34 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.64[0-9]* 6.37[0-9]* -1.72[0-9]* 2 2 s 3 s
/vel 1 3.64[0-9]* -4.15[0-9]* -2.60[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.57[0-9]* 5.40[0-9]* -1.62[0-9]* 1 1 s
/vel 2 16.78[0-9]* -10.34[0-9]* 0.52[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.59[0-9]* 6.50[0-9]* -1.50[0-9]* 1 1 s
/vel 3 -1.00[0-9]* 5.62[0-9]* -17.88[0-9]*
endmol 34
mol 35 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.81[0-9]* 4.83[0-9]* 4.73[0-9]* 2 2 s 3 s
/vel 1 2.43[0-9]* 5.96[0-9]* 4.31[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.21[0-9]* 5.46[0-9]* 5.37[0-9]* 1 1 s
/vel 2 20.67[0-9]* 29.75[0-9]* -2.74[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.42[0-9]* 4.09[0-9]* 4.65[0-9]* 1 1 s
/vel 3 19.39[0-9]* -0.16[0-9]* -6.98[0-9]*
endmol 35
mol 36 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.69[0-9]* -4.24[0-9]* 1.77[0-9]* 2 2 s 3 s
/vel 1 8.31[0-9]* -1.91[0-9]* 4.97[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.92[0-9]* -4.65[0-9]* 2.19[0-9]* 1 1 s
/vel 2 -14.80[0-9]* 3.92[0-9]* 0.02[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.23[0-9]* -3.65[0-9]* 1.14[0-9]* 1 1 s
/vel 3 -32.85[0-9]* -19.38[0-9]* 26.96[0-9]*
endmol 36
mol 37 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.77[0-9]* 5.64[0-9]* -2.96[0-9]* 2 2 s 3 s
/vel 1 -1.51[0-9]* -1.13[0-9]* -2.07[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.31[0-9]* 6.51[0-9]* -2.94[0-9]* 1 1 s
/vel 2 -14.83[0-9]* -7.02[0-9]* -5.85[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.14[0-9]* 5.65[0-9]* -2.05[0-9]* 1 1 s
/vel 3 -13.04[0-9]* 6.85[0-9]* -20.83[0-9]*
endmol 37
mol 38 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.21[0-9]* 2.01[0-9]* -3.39[0-9]* 2 2 s 3 s
/vel 1 -3.93[0-9]* 2.54[0-9]* 3.35[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.37[0-9]* 2.46[0-9]* -3.54[0-9]* 1 1 s
/vel 2 -43.27[0-9]* -4.67[0-9]* 12.03[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.91[0-9]* 1.09[0-9]* -3.31[0-9]* 1 1 s
/vel 3 -8.02[0-9]* -28.81[0-9]* -24.99[0-9]*
endmol 38
mol 39 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.88[0-9]* 1.08[0-9]* 0.00[0-9]* 2 2 s 3 s
/vel 1 3.19[0-9]* 1.90[0-9]* -4.14[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.53[0-9]* 0.92[0-9]* 0.75[0-9]* 1 1 s
/vel 2 -5.37[0-9]* 8.35[0-9]* 0.53[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.62[0-9]* 2.00[0-9]* 0.08[0-9]* 1 1 s
/vel 3 19.31[0-9]* 1.12[0-9]* -33.23[0-9]*
endmol 39
mol 40 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.90[0-9]* -0.65[0-9]* -3.17[0-9]* 2 2 s 3 s
/vel 1 5.39[0-9]* 1.08[0-9]* -4.36[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.31[0-9]* -1.35[0-9]* -3.70[0-9]* 1 1 s
/vel 2 0.72[0-9]* -12.29[0-9]* -17.87[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.06[0-9]* -1.04[0-9]* -2.93[0-9]* 1 1 s
/vel 3 -14.28[0-9]* 2.43[0-9]* 18.48[0-9]*
endmol 40
mol 41 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.39[0-9]* 1.68[0-9]* -4.03[0-9]* 2 2 s 3 s
/vel 1 3.36[0-9]* -0.55[0-9]* 5.14[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.19[0-9]* 1.30[0-9]* -4.36[0-9]* 1 1 s
/vel 2 -13.49[0-9]* -35.63[0-9]* 17.62[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.82[0-9]* 1.88[0-9]* -4.81[0-9]* 1 1 s
/vel 3 -13.23[0-9]* -29.31[0-9]* -8.87[0-9]*
endmol 41
mol 42 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.68[0-9]* 5.62[0-9]* 1.02[0-9]* 2 2 s 3 s
/vel 1 2.29[0-9]* 2.13[0-9]* -0.02[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.86[0-9]* 4.98[0-9]* 0.32[0-9]* 1 1 s
/vel 2 -7.54[0-9]* 21.25[0-9]* 18.49[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.35[0-9]* 5.01[0-9]* 1.73[0-9]* 1 1 s
/vel 3 2.15[0-9]* -22.58[0-9]* -13.18[0-9]*
endmol 42
mol 43 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.78[0-9]* -5.20[0-9]* -3.92[0-9]* 2 2 s 3 s
/vel 1 2.47[0-9]* -0.71[0-9]* 2.94[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.65[0-9]* -4.98[0-9]* -3.51[0-9]* 1 1 s
/vel 2 3.69[0-9]* 8.48[0-9]* -4.38[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.21[0-9]* -4.48[0-9]* -3.65[0-9]* 1 1 s
/vel 3 -5.33[0-9]* 19.11[0-9]* 19.41[0-9]*
endmol 43
mol 44 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.86[0-9]* -5.29[0-9]* -0.76[0-9]* 2 2 s 3 s
/vel 1 -1.10[0-9]* 2.24[0-9]* 2.76[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.41[0-9]* -5.51[0-9]* -0.00[0-9]* 1 1 s
/vel 2 -18.21[0-9]* 15.96[0-9]* 6.10[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.51[0-9]* -5.35[0-9]* -1.48[0-9]* 1 1 s
/vel 3 -14.73[0-9]* 5.44[0-9]* -5.01[0-9]*
endmol 44
mol 45 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.15[0-9]* 4.28[0-9]* -3.83[0-9]* 2 2 s 3 s
/vel 1 -3.13[0-9]* -2.01[0-9]* 9.82[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.83[0-9]* 3.34[0-9]* -3.73[0-9]* 1 1 s
/vel 2 -7.86[0-9]* 1.43[0-9]* -1.06[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.53[0-9]* 4.63[0-9]* -4.54[0-9]* 1 1 s
/vel 3 17.73[0-9]* -18.17[0-9]* 18.92[0-9]*
endmol 45
mol 46 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.26[0-9]* -1.45[0-9]* 7.68[0-9]* 2 2 s 3 s
/vel 1 -0.16[0-9]* -3.21[0-9]* 0.02[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.10[0-9]* -1.47[0-9]* 6.73[0-9]* 1 1 s
/vel 2 -19.88[0-9]* 5.92[0-9]* -10.53[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.23[0-9]* -1.22[0-9]* 7.79[0-9]* 1 1 s
/vel 3 7.66[0-9]* 15.11[0-9]* 12.91[0-9]*
endmol 46
mol 47 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.67[0-9]* 0.42[0-9]* 4.61[0-9]* 2 2 s 3 s
/vel 1 2.58[0-9]* 0.37[0-9]* -2.31[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.70[0-9]* 0.48[0-9]* 4.79[0-9]* 1 1 s
/vel 2 -0.93[0-9]* 3.35[0-9]* 20.02[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.73[0-9]* 0.39[0-9]* 3.64[0-9]* 1 1 s
/vel 3 5.51[0-9]* -18.40[0-9]* -17.14[0-9]*
endmol 47
mol 48 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.83[0-9]* -5.65[0-9]* -1.81[0-9]* 2 2 s 3 s
/vel 1 10.69[0-9]* 1.93[0-9]* 1.32[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.27[0-9]* -6.19[0-9]* -2.43[0-9]* 1 1 s
/vel 2 -7.06[0-9]* -17.05[0-9]* -23.65[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.05[0-9]* -5.49[0-9]* -2.26[0-9]* 1 1 s
/vel 3 12.47[0-9]* 9.61[0-9]* -11.22[0-9]*
endmol 48
mol 49 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.96[0-9]* -3.91[0-9]* 6.22[0-9]* 2 2 s 3 s
/vel 1 4.16[0-9]* 5.93[0-9]* 3.49[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.79[0-9]* -4.71[0-9]* 5.68[0-9]* 1 1 s
/vel 2 -0.58[0-9]* 11.87[0-9]* -12.04[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.62[0-9]* -3.28[0-9]* 5.56[0-9]* 1 1 s
/vel 3 -3.27[0-9]* -6.76[0-9]* -4.72[0-9]*
endmol 49
mol 50 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.84[0-9]* -6.04[0-9]* 0.93[0-9]* 2 2 s 3 s
/vel 1 2.45[0-9]* 2.76[0-9]* 0.84[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.06[0-9]* -6.22[0-9]* 1.84[0-9]* 1 1 s
/vel 2 15.54[0-9]* 18.82[0-9]* -6.41[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.95[0-9]* -5.65[0-9]* 1.00[0-9]* 1 1 s
/vel 3 14.46[0-9]* 1.37[0-9]* 5.98[0-9]*
endmol 50
mol 51 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.36[0-9]* 0.76[0-9]* 0.63[0-9]* 2 2 s 3 s
/vel 1 -5.65[0-9]* -3.05[0-9]* -1.60[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.16[0-9]* 0.50[0-9]* -0.28[0-9]* 1 1 s
/vel 2 -8.13[0-9]* -23.16[0-9]* -3.18[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.19[0-9]* 0.32[0-9]* 0.74[0-9]* 1 1 s
/vel 3 6.79[0-9]* -11.01[0-9]* -14.32[0-9]*
endmol 51
mol 52 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.60[0-9]* 3.37[0-9]* 3.07[0-9]* 2 2 s 3 s
/vel 1 -4.19[0-9]* 3.91[0-9]* 1.18[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.20[0-9]* 4.14[0-9]* 3.01[0-9]* 1 1 s
/vel 2 -29.18[0-9]* -0.28[0-9]* -21.10[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.83[0-9]* 2.93[0-9]* 2.19[0-9]* 1 1 s
/vel 3 12.94[0-9]* 17.94[0-9]* 11.59[0-9]*
endmol 52
mol 53 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.47[0-9]* -5.05[0-9]* 2.87[0-9]* 2 2 s 3 s
/vel 1 1.03[0-9]* 4.35[0-9]* 2.69[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.85[0-9]* -4.43[0-9]* 3.52[0-9]* 1 1 s
/vel 2 -0.73[0-9]* 11.95[0-9]* -0.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.24[0-9]* -5.54[0-9]* 2.56[0-9]* 1 1 s
/vel 3 -15.92[0-9]* 29.63[0-9]* 22.96[0-9]*
endmol 53
mol 54 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.32[0-9]* 7.13[0-9]* 2.87[0-9]* 2 2 s 3 s
/vel 1 -7.27[0-9]* -7.65[0-9]* -3.41[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.65[0-9]* 6.78[0-9]* 2.25[0-9]* 1 1 s
/vel 2 9.68[0-9]* 11.92[0-9]* 6.17[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.83[0-9]* 7.82[0-9]* 3.28[0-9]* 1 1 s
/vel 3 -16.42[0-9]* -3.24[0-9]* -9.92[0-9]*
endmol 54
mol 55 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.42[0-9]* 5.86[0-9]* 2.65[0-9]* 2 2 s 3 s
/vel 1 2.68[0-9]* 5.16[0-9]* -2.52[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.98[0-9]* 5.38[0-9]* 3.31[0-9]* 1 1 s
/vel 2 35.20[0-9]* -20.81[0-9]* -17.40[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.88[0-9]* 6.45[0-9]* 3.21[0-9]* 1 1 s
/vel 3 2.78[0-9]* 33.48[0-9]* 24.02[0-9]*
endmol 55
mol 56 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.60[0-9]* 3.51[0-9]* 4.68[0-9]* 2 2 s 3 s
/vel 1 -1.69[0-9]* -4.45[0-9]* -5.41[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.49[0-9]* 3.67[0-9]* 5.61[0-9]* 1 1 s
/vel 2 -12.02[0-9]* 4.55[0-9]* 2.30[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.46[0-9]* 4.35[0-9]* 4.24[0-9]* 1 1 s
/vel 3 -9.77[0-9]* -4.23[0-9]* 20.16[0-9]*
endmol 56
mol 57 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.27[0-9]* -4.98[0-9]* -5.05[0-9]* 2 2 s 3 s
/vel 1 -2.72[0-9]* -1.90[0-9]* -6.02[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.44[0-9]* -5.57[0-9]* -5.77[0-9]* 1 1 s
/vel 2 -10.53[0-9]* 9.24[0-9]* 9.66[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.36[0-9]* -5.16[0-9]* -4.80[0-9]* 1 1 s
/vel 3 -1.76[0-9]* 1.58[0-9]* -12.67[0-9]*
endmol 57
mol 58 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.53[0-9]* 1.29[0-9]* -6.52[0-9]* 2 2 s 3 s
/vel 1 -1.93[0-9]* 7.79[0-9]* 0.63[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.61[0-9]* 2.09[0-9]* -7.07[0-9]* 1 1 s
/vel 2 25.18[0-9]* 6.26[0-9]* 15.92[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.65[0-9]* 0.56[0-9]* -7.14[0-9]* 1 1 s
/vel 3 9.16[0-9]* -1.38[0-9]* 19.48[0-9]*
endmol 58
mol 59 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.97[0-9]* -6.05[0-9]* -1.45[0-9]* 2 2 s 3 s
/vel 1 3.95[0-9]* -1.90[0-9]* -2.20[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.57[0-9]* -5.97[0-9]* -0.53[0-9]* 1 1 s
/vel 2 -29.61[0-9]* 6.07[0-9]* -4.83[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.33[0-9]* -6.55[0-9]* -1.98[0-9]* 1 1 s
/vel 3 0.45[0-9]* 13.90[0-9]* -14.39[0-9]*
endmol 59
mol 60 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.75[0-9]* 1.99[0-9]* 5.67[0-9]* 2 2 s 3 s
/vel 1 -2.90[0-9]* -4.56[0-9]* 5.44[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.14[0-9]* 2.51[0-9]* 6.41[0-9]* 1 1 s
/vel 2 -18.10[0-9]* -6.38[0-9]* -22.57[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.76[0-9]* 2.19[0-9]* 5.80[0-9]* 1 1 s
/vel 3 10.41[0-9]* 3.68[0-9]* -20.98[0-9]*
endmol 60
mol 61 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.80[0-9]* 2.35[0-9]* -5.65[0-9]* 2 2 s 3 s
/vel 1 -0.34[0-9]* -0.94[0-9]* 6.67[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.10[0-9]* 1.67[0-9]* -5.87[0-9]* 1 1 s
/vel 2 -1.32[0-9]* -15.07[0-9]* -6.55[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.32[0-9]* 2.95[0-9]* -5.08[0-9]* 1 1 s
/vel 3 37.38[0-9]* -2.60[0-9]* 10.44[0-9]*
endmol 61
mol 62 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.48[0-9]* 1.23[0-9]* 6.56[0-9]* 2 2 s 3 s
/vel 1 1.70[0-9]* 0.33[0-9]* 0.11[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.09[0-9]* 0.60[0-9]* 7.20[0-9]* 1 1 s
/vel 2 -0.00[0-9]* 29.22[0-9]* -5.97[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.09[0-9]* 1.15[0-9]* 5.80[0-9]* 1 1 s
/vel 3 6.71[0-9]* -32.07[0-9]* -3.39[0-9]*
endmol 62
mol 63 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.33[0-9]* -1.44[0-9]* -4.25[0-9]* 2 2 s 3 s
/vel 1 1.22[0-9]* -1.52[0-9]* -1.29[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.17[0-9]* -1.51[0-9]* -3.75[0-9]* 1 1 s
/vel 2 2.81[0-9]* 8.11[0-9]* -3.29[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.25[0-9]* -2.34[0-9]* -4.67[0-9]* 1 1 s
/vel 3 -3.12[0-9]* 10.08[0-9]* -10.35[0-9]*
endmol 63
mol 64 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.45[0-9]* 5.82[0-9]* 3.75[0-9]* 2 2 s 3 s
/vel 1 -7.10[0-9]* -3.67[0-9]* 4.27[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.34[0-9]* 6.17[0-9]* 3.50[0-9]* 1 1 s
/vel 2 4.59[0-9]* 6.52[0-9]* -23.57[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.61[0-9]* 4.84[0-9]* 3.58[0-9]* 1 1 s
/vel 3 -8.31[0-9]* 5.07[0-9]* 2.59[0-9]*
endmol 64
mol 65 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.10[0-9]* -1.98[0-9]* 6.86[0-9]* 2 2 s 3 s
/vel 1 2.25[0-9]* -1.49[0-9]* -4.92[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.63[0-9]* -1.72[0-9]* 7.64[0-9]* 1 1 s
/vel 2 10.54[0-9]* 15.31[0-9]* 7.20[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.01[0-9]* -2.09[0-9]* 7.19[0-9]* 1 1 s
/vel 3 26.25[0-9]* -17.09[0-9]* 5.05[0-9]*
endmol 65
mol 66 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.63[0-9]* -5.76[0-9]* 6.67[0-9]* 2 2 s 3 s
/vel 1 -2.08[0-9]* -3.37[0-9]* -0.78[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.91[0-9]* -6.56[0-9]* 6.17[0-9]* 1 1 s
/vel 2 12.37[0-9]* 1.45[0-9]* -19.56[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.43[0-9]* -5.20[0-9]* 6.60[0-9]* 1 1 s
/vel 3 4.45[0-9]* -33.96[0-9]* 14.88[0-9]*
endmol 66
mol 67 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.94[0-9]* 4.79[0-9]* -6.34[0-9]* 2 2 s 3 s
/vel 1 -4.35[0-9]* 1.88[0-9]* -2.87[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.41[0-9]* 4.55[0-9]* -5.62[0-9]* 1 1 s
/vel 2 18.85[0-9]* 19.45[0-9]* -22.67[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.87[0-9]* 4.72[0-9]* -5.97[0-9]* 1 1 s
/vel 3 -1.41[0-9]* 32.42[0-9]* 9.00[0-9]*
endmol 67
mol 68 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.54[0-9]* 1.61[0-9]* -6.49[0-9]* 2 2 s 3 s
/vel 1 -4.39[0-9]* -1.10[0-9]* -0.30[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.29[0-9]* 1.51[0-9]* -5.91[0-9]* 1 1 s
/vel 2 4.08[0-9]* 18.84[0-9]* -13.51[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.56[0-9]* 0.77[0-9]* -7.03[0-9]* 1 1 s
/vel 3 -19.56[0-9]* 14.37[0-9]* 1.04[0-9]*
endmol 68
mol 69 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.07[0-9]* -4.77[0-9]* 6.99[0-9]* 2 2 s 3 s
/vel 1 -2.96[0-9]* 4.61[0-9]* 4.11[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.62[0-9]* -4.29[0-9]* 6.35[0-9]* 1 1 s
/vel 2 12.45[0-9]* -0.57[0-9]* -40.15[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.40[0-9]* -5.69[0-9]* 6.92[0-9]* 1 1 s
/vel 3 4.98[0-9]* 25.12[0-9]* -13.21[0-9]*
endmol 69
mol 70 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.77[0-9]* -5.00[0-9]* -6.70[0-9]* 2 2 s 3 s
/vel 1 2.11[0-9]* -3.21[0-9]* -1.47[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.92[0-9]* -4.58[0-9]* -6.65[0-9]* 1 1 s
/vel 2 -6.31[0-9]* 9.79[0-9]* -24.86[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.00[0-9]* -5.21[0-9]* -5.74[0-9]* 1 1 s
/vel 3 -20.86[0-9]* -8.57[0-9]* 11.97[0-9]*
endmol 70
mol 71 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.87[0-9]* 3.45[0-9]* -7.64[0-9]* 2 2 s 3 s
/vel 1 1.32[0-9]* 0.70[0-9]* 3.32[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.69[0-9]* 3.58[0-9]* -8.59[0-9]* 1 1 s
/vel 2 -5.30[0-9]* 2.70[0-9]* -2.06[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.61[0-9]* 4.04[0-9]* -7.47[0-9]* 1 1 s
/vel 3 -5.12[0-9]* -3.42[0-9]* 31.63[0-9]*
endmol 71
mol 72 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.84[0-9]* 0.79[0-9]* -4.88[0-9]* 2 2 s 3 s
/vel 1 3.85[0-9]* 2.04[0-9]* 2.60[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.27[0-9]* -0.08[0-9]* -4.72[0-9]* 1 1 s
/vel 2 -32.44[0-9]* -0.62[0-9]* 17.90[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.05[0-9]* 0.95[0-9]* -5.80[0-9]* 1 1 s
/vel 3 30.29[0-9]* -26.61[0-9]* 25.27[0-9]*
endmol 72
mol 73 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.42[0-9]* -2.60[0-9]* -4.15[0-9]* 2 2 s 3 s
/vel 1 -1.89[0-9]* 4.47[0-9]* -0.99[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.57[0-9]* -2.57[0-9]* -3.20[0-9]* 1 1 s
/vel 2 -9.71[0-9]* 26.35[0-9]* -20.25[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.78[0-9]* -3.39[0-9]* -4.28[0-9]* 1 1 s
/vel 3 5.31[0-9]* 6.91[0-9]* -8.06[0-9]*
endmol 73
mol 74 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.96[0-9]* 3.99[0-9]* 1.83[0-9]* 2 2 s 3 s
/vel 1 2.50[0-9]* -1.17[0-9]* -1.31[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.87[0-9]* 4.88[0-9]* 2.24[0-9]* 1 1 s
/vel 2 -8.25[0-9]* 5.76[0-9]* -11.98[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.92[0-9]* 4.18[0-9]* 0.86[0-9]* 1 1 s
/vel 3 -2.19[0-9]* 20.03[0-9]* 16.49[0-9]*
endmol 74
mol 75 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.69[0-9]* -6.74[0-9]* -3.94[0-9]* 2 2 s 3 s
/vel 1 -2.46[0-9]* 2.30[0-9]* -2.03[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.35[0-9]* -6.38[0-9]* -4.76[0-9]* 1 1 s
/vel 2 1.25[0-9]* 7.68[0-9]* 13.38[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.05[0-9]* -7.59[0-9]* -4.25[0-9]* 1 1 s
/vel 3 -29.75[0-9]* 35.43[0-9]* -36.12[0-9]*
endmol 75
mol 76 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.13[0-9]* 7.47[0-9]* -4.26[0-9]* 2 2 s 3 s
/vel 1 -1.47[0-9]* -1.46[0-9]* 0.62[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.45[0-9]* 7.41[0-9]* -5.14[0-9]* 1 1 s
/vel 2 -5.42[0-9]* -20.79[0-9]* -1.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.91[0-9]* 7.81[0-9]* -3.75[0-9]* 1 1 s
/vel 3 -18.99[0-9]* 9.95[0-9]* 21.80[0-9]*
endmol 76
mol 77 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.21[0-9]* -3.70[0-9]* -5.63[0-9]* 2 2 s 3 s
/vel 1 -0.40[0-9]* 1.60[0-9]* -0.71[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.13[0-9]* -3.76[0-9]* -5.84[0-9]* 1 1 s
/vel 2 14.89[0-9]* 24.07[0-9]* -5.78[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.72[0-9]* -3.94[0-9]* -6.45[0-9]* 1 1 s
/vel 3 -24.14[0-9]* 6.88[0-9]* 3.81[0-9]*
endmol 77
mol 78 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.96[0-9]* -4.59[0-9]* 6.75[0-9]* 2 2 s 3 s
/vel 1 -3.77[0-9]* 0.68[0-9]* -1.03[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.88[0-9]* -4.70[0-9]* 7.74[0-9]* 1 1 s
/vel 2 1.77[0-9]* -6.82[0-9]* 9.31[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.81[0-9]* -5.02[0-9]* 6.55[0-9]* 1 1 s
/vel 3 4.61[0-9]* 19.02[0-9]* 21.45[0-9]*
endmol 78
mol 79 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.37[0-9]* -3.83[0-9]* -6.60[0-9]* 2 2 s 3 s
/vel 1 2.31[0-9]* -5.33[0-9]* -3.12[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.73[0-9]* -4.32[0-9]* -6.04[0-9]* 1 1 s
/vel 2 18.67[0-9]* -14.59[0-9]* 13.08[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.97[0-9]* -2.93[0-9]* -6.59[0-9]* 1 1 s
/vel 3 -20.84[0-9]* -19.14[0-9]* -0.74[0-9]*
endmol 79
mol 80 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.99[0-9]* -0.42[0-9]* -6.25[0-9]* 2 2 s 3 s
/vel 1 -3.40[0-9]* -2.04[0-9]* 0.63[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.33[0-9]* -1.30[0-9]* -6.50[0-9]* 1 1 s
/vel 2 -20.14[0-9]* 2.18[0-9]* -6.20[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.72[0-9]* -0.12[0-9]* -5.68[0-9]* 1 1 s
/vel 3 -28.71[0-9]* -37.29[0-9]* 16.45[0-9]*
endmol 80
mol 81 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.66[0-9]* -6.38[0-9]* 4.58[0-9]* 2 2 s 3 s
/vel 1 2.44[0-9]* -0.96[0-9]* -3.39[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.53[0-9]* -5.93[0-9]* 4.43[0-9]* 1 1 s
/vel 2 -7.98[0-9]* -24.73[0-9]* -2.77[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.57[0-9]* -6.92[0-9]* 3.81[0-9]* 1 1 s
/vel 3 -7.27[0-9]* -11.73[0-9]* -4.61[0-9]*
endmol 81
mol 82 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.72[0-9]* -7.38[0-9]* 4.58[0-9]* 2 2 s 3 s
/vel 1 -2.76[0-9]* 5.51[0-9]* -4.81[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.24[0-9]* -7.49[0-9]* 5.42[0-9]* 1 1 s
/vel 2 5.08[0-9]* 15.93[0-9]* -3.86[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.84[0-9]* -8.30[0-9]* 4.24[0-9]* 1 1 s
/vel 3 -18.00[0-9]* -7.95[0-9]* -11.51[0-9]*
endmol 82
mol 83 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.95[0-9]* -7.27[0-9]* -6.34[0-9]* 2 2 s 3 s
/vel 1 -3.37[0-9]* 0.38[0-9]* 3.75[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.35[0-9]* -8.02[0-9]* -6.43[0-9]* 1 1 s
/vel 2 -12.77[0-9]* -29.83[0-9]* -15.13[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.34[0-9]* -6.61[0-9]* -5.93[0-9]* 1 1 s
/vel 3 -31.14[0-9]* -26.35[0-9]* -8.67[0-9]*
endmol 83
mol 84 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.74[0-9]* -2.56[0-9]* 1.40[0-9]* 2 2 s 3 s
/vel 1 -3.36[0-9]* 1.12[0-9]* 1.10[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.82[0-9]* -2.60[0-9]* 1.71[0-9]* 1 1 s
/vel 2 -7.68[0-9]* 8.98[0-9]* 11.39[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.87[0-9]* -3.20[0-9]* 0.68[0-9]* 1 1 s
/vel 3 -21.03[0-9]* -14.64[0-9]* -35.91[0-9]*
endmol 84
mol 85 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.27[0-9]* 8.00[0-9]* 0.14[0-9]* 2 2 s 3 s
/vel 1 -1.45[0-9]* 0.05[0-9]* 0.34[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.51[0-9]* 7.12[0-9]* 0.50[0-9]* 1 1 s
/vel 2 21.91[0-9]* 10.00[0-9]* 0.94[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.54[0-9]* 8.25[0-9]* 0.70[0-9]* 1 1 s
/vel 3 -8.43[0-9]* -13.75[0-9]* -0.12[0-9]*
endmol 85
mol 86 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.19[0-9]* -2.91[0-9]* -7.07[0-9]* 2 2 s 3 s
/vel 1 -3.48[0-9]* 5.46[0-9]* 1.94[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.92[0-9]* -3.55[0-9]* -7.36[0-9]* 1 1 s
/vel 2 -2.30[0-9]* 14.25[0-9]* -4.47[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.54[0-9]* -3.06[0-9]* -7.79[0-9]* 1 1 s
/vel 3 10.53[0-9]* -12.06[0-9]* 3.45[0-9]*
endmol 86
mol 87 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.09[0-9]* 5.78[0-9]* -7.71[0-9]* 2 2 s 3 s
/vel 1 -0.23[0-9]* -1.22[0-9]* 4.29[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.16[0-9]* 5.94[0-9]* -7.50[0-9]* 1 1 s
/vel 2 -7.51[0-9]* -12.60[0-9]* 1.59[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.05[0-9]* 5.04[0-9]* -8.32[0-9]* 1 1 s
/vel 3 -22.53[0-9]* 20.35[0-9]* -1.33[0-9]*
endmol 87
mol 88 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.15[0-9]* 4.15[0-9]* 5.80[0-9]* 2 2 s 3 s
/vel 1 0.47[0-9]* -1.58[0-9]* -1.50[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.76[0-9]* 4.52[0-9]* 6.48[0-9]* 1 1 s
/vel 2 7.50[0-9]* -8.41[0-9]* 16.61[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.28[0-9]* 4.55[0-9]* 6.05[0-9]* 1 1 s
/vel 3 6.05[0-9]* -7.67[0-9]* 0.78[0-9]*
endmol 88
mol 89 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.95[0-9]* 7.53[0-9]* 0.88[0-9]* 2 2 s 3 s
/vel 1 0.44[0-9]* -3.51[0-9]* 3.69[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.08[0-9]* 7.07[0-9]* 0.01[0-9]* 1 1 s
/vel 2 11.04[0-9]* 23.59[0-9]* 9.65[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.29[0-9]* 7.00[0-9]* 1.31[0-9]* 1 1 s
/vel 3 -24.26[0-9]* 6.08[0-9]* -12.54[0-9]*
endmol 89
mol 90 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.02[0-9]* -5.35[0-9]* 7.80[0-9]* 2 2 s 3 s
/vel 1 -0.80[0-9]* 1.71[0-9]* 2.16[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.47[0-9]* -6.25[0-9]* 7.68[0-9]* 1 1 s
/vel 2 -21.57[0-9]* 5.21[0-9]* 24.14
/atom 3 H2 H HW - 0.41[0-9]* 4.63[0-9]* -4.74[0-9]* 7.33[0-9]* 1 1 s
/vel 3 -19.43[0-9]* -19.27[0-9]* 22.26[0-9]*
endmol 90
mol 91 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.55[0-9]* 6.93[0-9]* -7.91[0-9]* 2 2 s 3 s
/vel 1 0.28[0-9]* 0.10[0-9]* -4.46[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.63[0-9]* 6.68[0-9]* -8.19[0-9]* 1 1 s
/vel 2 -15.16[0-9]* -30.49[0-9]* 18.22[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.38[0-9]* 7.73[0-9]* -7.41[0-9]* 1 1 s
/vel 3 10.37[0-9]* 12.41[0-9]* 8.82[0-9]*
endmol 91
mol 92 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.29[0-9]* 0.94[0-9]* 6.09[0-9]* 2 2 s 3 s
/vel 1 2.99[0-9]* 3.84[0-9]* -1.53[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.47[0-9]* 1.32[0-9]* 5.79[0-9]* 1 1 s
/vel 2 19.95[0-9]* -10.26[0-9]* 16.60[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.97[0-9]* 0.23[0-9]* 6.72[0-9]* 1 1 s
/vel 3 5.37[0-9]* -9.33[0-9]* -12.70[0-9]*
endmol 92
mol 93 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.16[0-9]* -7.01[0-9]* 0.47[0-9]* 2 2 s 3 s
/vel 1 0.96[0-9]* -1.65[0-9]* 6.68[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.22[0-9]* -6.21[0-9]* -0.08[0-9]* 1 1 s
/vel 2 21.78[0-9]* 6.53[0-9]* 7.91[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.34[0-9]* -7.74[0-9]* -0.15[0-9]* 1 1 s
/vel 3 27.31[0-9]* -18.50[0-9]* -14.92[0-9]*
endmol 93
mol 94 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.38[0-9]* 2.56[0-9]* 6.73[0-9]* 2 2 s 3 s
/vel 1 2.39[0-9]* 2.97[0-9]* 3.32[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.07[0-9]* 3.47[0-9]* 6.72[0-9]* 1 1 s
/vel 2 -3.28[0-9]* 11.23[0-9]* 13.53[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.58[0-9]* 2.41[0-9]* 5.74[0-9]* 1 1 s
/vel 3 19.15[0-9]* 21.98[0-9]* -3.36[0-9]*
endmol 94
mol 95 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.83[0-9]* -0.47[0-9]* 5.58[0-9]* 2 2 s 3 s
/vel 1 -4.66[0-9]* 2.75[0-9]* 0.42[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.22[0-9]* 0.26[0-9]* 6.16[0-9]* 1 1 s
/vel 2 8.53[0-9]* 12.22[0-9]* -13.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.06[0-9]* -0.09[0-9]* 5.19[0-9]* 1 1 s
/vel 3 9.21[0-9]* 4.86[0-9]* -3.51[0-9]*
endmol 95
mol 96 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.38[0-9]* 6.20[0-9]* 2.24[0-9]* 2 2 s 3 s
/vel 1 -0.36[0-9]* 4.66[0-9]* -1.66[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.16[0-9]* 6.70[0-9]* 1.47[0-9]* 1 1 s
/vel 2 11.14[0-9]* 32.59[0-9]* 5.87[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.04[0-9]* 6.84[0-9]* 2.88[0-9]* 1 1 s
/vel 3 4.22[0-9]* 25.26[0-9]* -1.19[0-9]*
endmol 96
mol 97 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.55[0-9]* -2.45[0-9]* -1.71[0-9]* 2 2 s 3 s
/vel 1 9.09[0-9]* -1.52[0-9]* 6.44[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.32[0-9]* -3.19[0-9]* -1.12[0-9]* 1 1 s
/vel 2 13.01[0-9]* -2.53[0-9]* -8.93[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.43[0-9]* -2.11[0-9]* -1.40[0-9]* 1 1 s
/vel 3 11.06[0-9]* 12.07[0-9]* 14.16[0-9]*
endmol 97
mol 98 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.80[0-9]* 5.62[0-9]* -1.38[0-9]* 2 2 s 3 s
/vel 1 0.76[0-9]* 4.03[0-9]* -2.35[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.68[0-9]* 5.16[0-9]* -2.23[0-9]* 1 1 s
/vel 2 15.86[0-9]* 0.68[0-9]* 20.19[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.79[0-9]* 5.70[0-9]* -1.33[0-9]* 1 1 s
/vel 3 -25.13[0-9]* 12.18[0-9]* -18.76[0-9]*
endmol 98
mol 99 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.28[0-9]* 7.78[0-9]* -3.61[0-9]* 2 2 s 3 s
/vel 1 0.91[0-9]* -0.96[0-9]* -3.73[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.91[0-9]* 7.00[0-9]* -4.06[0-9]* 1 1 s
/vel 2 2.38[0-9]* -15.28[0-9]* 6.50[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.81[0-9]* 7.38[0-9]* -2.90[0-9]* 1 1 s
/vel 3 -2.50[0-9]* 29.34[0-9]* -6.85[0-9]*
endmol 99
mol 100 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.95[0-9]* 7.34[0-9]* 5.95[0-9]* 2 2 s 3 s
/vel 1 -2.60[0-9]* 3.64[0-9]* 4.07[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.43[0-9]* 6.53[0-9]* 6.07[0-9]* 1 1 s
/vel 2 6.37[0-9]* 2.81[0-9]* 33.80[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.44[0-9]* 7.74[0-9]* 5.16[0-9]* 1 1 s
/vel 3 12.44[0-9]* 9.01[0-9]* -15.89[0-9]*
endmol 100
mol 101 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.54[0-9]* -1.51[0-9]* 5.57[0-9]* 2 2 s 3 s
/vel 1 -0.22[0-9]* 8.63[0-9]* -2.21[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.87[0-9]* -1.17[0-9]* 6.42[0-9]* 1 1 s
/vel 2 -17.11[0-9]* 4.94[0-9]* -13.36[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.98[0-9]* -0.78[0-9]* 5.26[0-9]* 1 1 s
/vel 3 7.30[0-9]* 6.42[0-9]* 5.98[0-9]*
endmol 101
mol 102 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.60[0-9]* 0.68[0-9]* 2.08[0-9]* 2 2 s 3 s
/vel 1 1.06[0-9]* 1.76[0-9]* 3.98[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.43[0-9]* 1.02[0-9]* 1.80[0-9]* 1 1 s
/vel 2 2.24[0-9]* 7.20[0-9]* 5.85[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.51[0-9]* -0.21[0-9]* 1.73[0-9]* 1 1 s
/vel 3 8.08[0-9]* -2.01[0-9]* -10.19[0-9]*
endmol 102
mol 103 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.25[0-9]* 7.57[0-9]* -1.10[0-9]* 2 2 s 3 s
/vel 1 1.86[0-9]* 1.76[0-9]* 1.48[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.66[0-9]* 7.65[0-9]* -1.87[0-9]* 1 1 s
/vel 2 13.62[0-9]* -12.12[0-9]* -4.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.63[0-9]* 8.48[0-9]* -1.00[0-9]* 1 1 s
/vel 3 23.16[0-9]* -9.50[0-9]* -3.19[0-9]*
endmol 103
mol 104 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.33[0-9]* -2.92[0-9]* 2.68[0-9]* 2 2 s 3 s
/vel 1 9.85[0-9]* 2.96[0-9]* -3.36[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.75[0-9]* -2.38[0-9]* 3.37[0-9]* 1 1 s
/vel 2 4.25[0-9]* 12.03[0-9]* 23.39[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.41[0-9]* -3.02[0-9]* 3.01[0-9]* 1 1 s
/vel 3 9.89[0-9]* -12.35[0-9]* -7.46[0-9]*
endmol 104
mol 105 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.74[0-9]* -6.88[0-9]* 8.14[0-9]* 2 2 s 3 s
/vel 1 0.84[0-9]* -3.97[0-9]* -3.22[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.69[0-9]* -6.36[0-9]* 9.03[0-9]* 1 1 s
/vel 2 -5.63[0-9]* -5.33[0-9]* 27.70[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.07[0-9]* -6.76[0-9]* 7.74[0-9]* 1 1 s
/vel 3 -20.87[0-9]* -23.19[0-9]* -17.79[0-9]*
endmol 105
mol 106 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.80[0-9]* 6.22[0-9]* -6.77[0-9]* 2 2 s 3 s
/vel 1 -1.61[0-9]* -2.99[0-9]* -3.42[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.76[0-9]* 6.34[0-9]* -5.85[0-9]* 1 1 s
/vel 2 26.74[0-9]* -9.10[0-9]* -0.17[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.92[0-9]* 6.53[0-9]* -7.07[0-9]* 1 1 s
/vel 3 -27.92[0-9]* 10.57[0-9]* 22.25[0-9]*
endmol 106
mol 107 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.96[0-9]* 6.92[0-9]* 5.69[0-9]* 2 2 s 3 s
/vel 1 -0.83[0-9]* 2.77[0-9]* 0.13[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.51[0-9]* 6.36[0-9]* 6.35[0-9]* 1 1 s
/vel 2 14.93[0-9]* -2.78[0-9]* -28.36[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.43[0-9]* 6.64[0-9]* 4.91[0-9]* 1 1 s
/vel 3 3.02[0-9]* -2.65[0-9]* 26.46[0-9]*
endmol 107
mol 108 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.59[0-9]* -4.57[0-9]* -6.54[0-9]* 2 2 s 3 s
/vel 1 -0.29[0-9]* -1.20[0-9]* -4.01[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.40[0-9]* -5.09[0-9]* -6.45[0-9]* 1 1 s
/vel 2 8.87[0-9]* -8.38[0-9]* 0.79[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.81[0-9]* -3.82[0-9]* -5.94[0-9]* 1 1 s
/vel 3 4.35[0-9]* 18.30[0-9]* 0.58[0-9]*
endmol 108
mol 109 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.14[0-9]* -9.22[0-9]* -6.33[0-9]* 2 2 s 3 s
/vel 1 -3.65[0-9]* 6.47[0-9]* 2.15[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.55[0-9]* -9.55[0-9]* -5.51[0-9]* 1 1 s
/vel 2 21.13[0-9]* -4.53[0-9]* -23.01[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.24[0-9]* -9.02[0-9]* -6.10[0-9]* 1 1 s
/vel 3 -4.95[0-9]* 13.76[0-9]* 13.42[0-9]*
endmol 109
mol 110 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.64[0-9]* 0.86[0-9]* 4.53[0-9]* 2 2 s 3 s
/vel 1 -1.18[0-9]* -3.94[0-9]* -0.99[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.04[0-9]* 1.47[0-9]* 5.16[0-9]* 1 1 s
/vel 2 -16.25[0-9]* -6.04[0-9]* -9.51[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.41[0-9]* 1.46[0-9]* 3.76[0-9]* 1 1 s
/vel 3 -2.48[0-9]* -23.56[0-9]* 21.02[0-9]*
endmol 110
mol 111 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.95[0-9]* -6.62[0-9]* 3.21[0-9]* 2 2 s 3 s
/vel 1 3.41[0-9]* -3.00[0-9]* -1.30[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.57[0-9]* -6.98[0-9]* 2.43[0-9]* 1 1 s
/vel 2 -1.48[0-9]* -2.10[0-9]* -26.08[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.69[0-9]* -6.11[0-9]* 2.83[0-9]* 1 1 s
/vel 3 -19.60[0-9]* 18.80[0-9]* -20.19[0-9]*
endmol 111
mol 112 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.51[0-9]* -1.46[0-9]* -7.48[0-9]* 2 2 s 3 s
/vel 1 -0.49[0-9]* -2.16[0-9]* 3.49[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.92[0-9]* -1.00[0-9]* -6.88[0-9]* 1 1 s
/vel 2 -19.74[0-9]* 8.42[0-9]* 22.87[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.94[0-9]* -1.91[0-9]* -8.09[0-9]* 1 1 s
/vel 3 22.50[0-9]* -6.17[0-9]* 10.54[0-9]*
endmol 112
mol 113 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.97[0-9]* -1.88[0-9]* -7.67[0-9]* 2 2 s 3 s
/vel 1 -0.05[0-9]* -2.12[0-9]* -3.26[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.34[0-9]* -2.30[0-9]* -8.30[0-9]* 1 1 s
/vel 2 2.19[0-9]* -12.13[0-9]* -22.46[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.53[0-9]* -1.07[0-9]* -7.38[0-9]* 1 1 s
/vel 3 -3.65[0-9]* 1.97[0-9]* -9.46[0-9]*
endmol 113
mol 114 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.73[0-9]* -0.21[0-9]* 8.41[0-9]* 2 2 s 3 s
/vel 1 9.64[0-9]* -0.43[0-9]* 6.43[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.02[0-9]* -0.67[0-9]* 9.20[0-9]* 1 1 s
/vel 2 22.71[0-9]* 22.88[0-9]* 53.74[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.78[0-9]* -0.24[0-9]* 8.56[0-9]* 1 1 s
/vel 3 4.11[0-9]* 20.99[0-9]* 10.14[0-9]*
endmol 114
mol 115 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.35[0-9]* 7.14[0-9]* 7.28[0-9]* 2 2 s 3 s
/vel 1 -1.82[0-9]* -1.86[0-9]* -0.56[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.90[0-9]* 6.69[0-9]* 7.97[0-9]* 1 1 s
/vel 2 -5.40[0-9]* 6.49[0-9]* -15.48[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.17[0-9]* 7.37[0-9]* 7.66[0-9]* 1 1 s
/vel 3 -10.04[0-9]* 7.16[0-9]* -19.80[0-9]*
endmol 115
mol 116 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.04[0-9]* -0.35[0-9]* -8.23[0-9]* 2 2 s 3 s
/vel 1 -5.86[0-9]* -3.50[0-9]* 2.95[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.57[0-9]* -0.46[0-9]* -9.07[0-9]* 1 1 s
/vel 2 -14.57[0-9]* 2.64[0-9]* 17.71[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.79[0-9]* -0.96[0-9]* -8.36[0-9]* 1 1 s
/vel 3 -8.45[0-9]* 3.54[0-9]* -17.88[0-9]*
endmol 116
mol 117 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.82[0-9]* -8.53[0-9]* 0.36[0-9]* 2 2 s 3 s
/vel 1 -2.81[0-9]* -4.26[0-9]* -4.45[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.34[0-9]* -8.34[0-9]* 1.17[0-9]* 1 1 s
/vel 2 -11.51[0-9]* -9.01[0-9]* 3.83[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.69[0-9]* -9.51[0-9]* 0.49[0-9]* 1 1 s
/vel 3 -27.75[0-9]* -26.65[0-9]* 28.71[0-9]*
endmol 117
mol 118 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.88[0-9]* 4.36[0-9]* -1.25[0-9]* 2 2 s 3 s
/vel 1 -6.36[0-9]* -2.41[0-9]* -6.03[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.44[0-9]* 4.58[0-9]* -2.11[0-9]* 1 1 s
/vel 2 15.53[0-9]* -2.15[0-9]* -4.01[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.14[0-9]* 3.45[0-9]* -1.35[0-9]* 1 1 s
/vel 3 3.66[0-9]* 16.65[0-9]* 4.92[0-9]*
endmol 118
mol 119 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.13[0-9]* -6.72[0-9]* 3.39[0-9]* 2 2 s 3 s
/vel 1 -0.69[0-9]* -3.92[0-9]* 4.74[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.03[0-9]* -7.61[0-9]* 2.94[0-9]* 1 1 s
/vel 2 4.94[0-9]* -16.10[0-9]* 23.30[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.07[0-9]* -6.71[0-9]* 3.59[0-9]* 1 1 s
/vel 3 11.41[0-9]* 19.13[0-9]* 8.64[0-9]*
endmol 119
mol 120 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.32[0-9]* 8.66[0-9]* 4.42[0-9]* 2 2 s 3 s
/vel 1 -6.81[0-9]* -5.31[0-9]* -2.64[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.73[0-9]* 8.00[0-9]* 4.98[0-9]* 1 1 s
/vel 2 10.59[0-9]* -9.47[0-9]* 5.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.01[0-9]* 8.12[0-9]* 3.66[0-9]* 1 1 s
/vel 3 10.20[0-9]* -15.97[0-9]* -15.05[0-9]*
endmol 120
mol 121 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.38[0-9]* 1.44[0-9]* 1.93[0-9]* 2 2 s 3 s
/vel 1 0.74[0-9]* -7.62[0-9]* -2.87[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.97[0-9]* 2.15[0-9]* 1.71[0-9]* 1 1 s
/vel 2 -10.50[0-9]* -16.92[0-9]* -15.67[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.96[0-9]* 0.64[0-9]* 1.93[0-9]* 1 1 s
/vel 3 17.61[0-9]* 23.36[0-9]* 7.15[0-9]*
endmol 121
mol 122 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.82[0-9]* -4.74[0-9]* -7.88[0-9]* 2 2 s 3 s
/vel 1 6.87[0-9]* 3.39[0-9]* 0.09[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.48[0-9]* -4.48[0-9]* -8.51[0-9]* 1 1 s
/vel 2 7.59[0-9]* -7.69[0-9]* -8.60[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 4.99[0-9]* -5.71[0-9]* -7.74[0-9]* 1 1 s
/vel 3 26.87[0-9]* -19.32[0-9]* 35.71[0-9]*
endmol 122
mol 123 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.04[0-9]* -7.55[0-9]* -3.19[0-9]* 2 2 s 3 s
/vel 1 -5.00[0-9]* -8.19[0-9]* -6.71[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.87[0-9]* -7.99[0-9]* -3.27[0-9]* 1 1 s
/vel 2 28.87[0-9]* -36.49[0-9]* -16.95[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.24[0-9]* -6.73[0-9]* -2.77[0-9]* 1 1 s
/vel 3 0.62[0-9]* 12.07[0-9]* 33.92[0-9]*
endmol 123
mol 124 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.03[0-9]* 4.88[0-9]* 7.78[0-9]* 2 2 s 3 s
/vel 1 0.48[0-9]* 0.63[0-9]* 6.77[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.74[0-9]* 4.49[0-9]* 8.33[0-9]* 1 1 s
/vel 2 -2.54[0-9]* 36.33[0-9]* 6.55[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.42[0-9]* 5.81[0-9]* 7.75[0-9]* 1 1 s
/vel 3 13.20[0-9]* -14.38[0-9]* -8.66[0-9]*
endmol 124
mol 125 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.35[0-9]* -7.31[0-9]* 0.68[0-9]* 2 2 s 3 s
/vel 1 0.21[0-9]* -9.30[0-9]* -0.71[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.47[0-9]* -7.54[0-9]* 0.43[0-9]* 1 1 s
/vel 2 3.15[0-9]* -1.64[0-9]* 20.61[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.65[0-9]* -6.77[0-9]* -0.05[0-9]* 1 1 s
/vel 3 19.49[0-9]* 8.85[0-9]* 19.19[0-9]*
endmol 125
mol 126 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.34[0-9]* 3.28[0-9]* 7.54[0-9]* 2 2 s 3 s
/vel 1 -6.26[0-9]* -1.56[0-9]* -1.92[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.06[0-9]* 2.74[0-9]* 7.82[0-9]* 1 1 s
/vel 2 -37.69[0-9]* 8.12[0-9]* 0.47[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.85[0-9]* 4.05[0-9]* 7.27[0-9]* 1 1 s
/vel 3 31.12[0-9]* 3.38[0-9]* 17.50[0-9]*
endmol 126
mol 127 "HOH"
/atom 1 O O OW - -0.83[0-9]* -4.75[0-9]* -7.53[0-9]* 5.10[0-9]* 2 2 s 3 s
/vel 1 -2.22[0-9]* -1.75[0-9]* -1.32[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.46[0-9]* -7.17[0-9]* 4.62[0-9]* 1 1 s
/vel 2 -3.33[0-9]* -41.75[0-9]* -39.92[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.55[0-9]* -8.38[0-9]* 4.62[0-9]* 1 1 s
/vel 3 10.84[0-9]* -18.34[0-9]* -14.51[0-9]*
endmol 127
mol 128 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.78[0-9]* -7.08[0-9]* 7.00[0-9]* 2 2 s 3 s
/vel 1 1.42[0-9]* 5.56[0-9]* 5.21[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.29[0-9]* -6.26[0-9]* 7.15[0-9]* 1 1 s
/vel 2 13.17[0-9]* -31.08[0-9]* 11.32[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.99[0-9]* -7.59[0-9]* 7.83[0-9]* 1 1 s
/vel 3 18.02[0-9]* -4.86[0-9]* -7.71[0-9]*
endmol 128
mol 129 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.19[0-9]* -3.23[0-9]* 5.77[0-9]* 2 2 s 3 s
/vel 1 -3.68[0-9]* 2.57[0-9]* -2.45[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.02[0-9]* -3.12[0-9]* 6.73[0-9]* 1 1 s
/vel 2 8.83[0-9]* 10.98[0-9]* -8.58[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.82[0-9]* -2.36[0-9]* 5.44[0-9]* 1 1 s
/vel 3 4.17[0-9]* -15.50[0-9]* -12.58[0-9]*
endmol 129
mol 130 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.91[0-9]* 6.48[0-9]* 7.58[0-9]* 2 2 s 3 s
/vel 1 -4.59[0-9]* 4.06[0-9]* -4.63[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.23[0-9]* 6.99[0-9]* 8.05[0-9]* 1 1 s
/vel 2 -6.95[0-9]* 7.66[0-9]* -21.30[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.87[0-9]* 6.96[0-9]* 6.71[0-9]* 1 1 s
/vel 3 -12.75[0-9]* 14.46[0-9]* -14.37[0-9]*
endmol 130
mol 131 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.44[0-9]* 7.63[0-9]* 5.50[0-9]* 2 2 s 3 s
/vel 1 5.62[0-9]* -3.51[0-9]* -6.04[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.17[0-9]* 8.03[0-9]* 5.98[0-9]* 1 1 s
/vel 2 46.31[0-9]* 4.61[0-9]* 3.80[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.01[0-9]* 8.38[0-9]* 5.17[0-9]* 1 1 s
/vel 3 -11.47[0-9]* 9.97[0-9]* 21.91[0-9]*
endmol 131
mol 132 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.09[0-9]* 6.60[0-9]* 1.14[0-9]* 2 2 s 3 s
/vel 1 -0.51[0-9]* 3.20[0-9]* -1.92[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.59[0-9]* 6.98[0-9]* 0.39[0-9]* 1 1 s
/vel 2 -14.38[0-9]* 18.11[0-9]* -15.72[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.79[0-9]* 6.28[0-9]* 1.74[0-9]* 1 1 s
/vel 3 -14.65[0-9]* -1.96[0-9]* 9.96[0-9]*
endmol 132
mol 133 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.75[0-9]* 7.24[0-9]* -2.75[0-9]* 2 2 s 3 s
/vel 1 0.56[0-9]* -0.53[0-9]* 4.42[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.79[0-9]* 7.65[0-9]* -1.89[0-9]* 1 1 s
/vel 2 -1.07[0-9]* -34.79[0-9]* 40.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.67[0-9]* 7.22[0-9]* -3.04[0-9]* 1 1 s
/vel 3 -9.81[0-9]* -25.49[0-9]* -6.99[0-9]*
endmol 133
mol 134 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.11[0-9]* -8.84[0-9]* -1.20[0-9]* 2 2 s 3 s
/vel 1 -0.47[0-9]* -2.79[0-9]* 2.19[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.60[0-9]* -9.20[0-9]* -1.96[0-9]* 1 1 s
/vel 2 -1.63[0-9]* 3.62[0-9]* 7.91[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.02[0-9]* -7.87[0-9]* -1.30[0-9]* 1 1 s
/vel 3 15.97[0-9]* -4.46[0-9]* 2.16[0-9]*
endmol 134
mol 135 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.49[0-9]* 0.20[0-9]* -2.32[0-9]* 2 2 s 3 s
/vel 1 -4.47[0-9]* -10.39[0-9]* 0.45[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.60[0-9]* -0.77[0-9]* -2.34[0-9]* 1 1 s
/vel 2 -13.64[0-9]* -0.46[0-9]* -24.14[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.51[0-9]* 0.31[0-9]* -2.34[0-9]* 1 1 s
/vel 3 1.46[0-9]* 0.24[0-9]* -9.17[0-9]*
endmol 135
mol 136 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.53[0-9]* -7.53[0-9]* -6.46[0-9]* 2 2 s 3 s
/vel 1 5.13[0-9]* 2.68[0-9]* -1.29[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.06[0-9]* -8.20[0-9]* -5.92[0-9]* 1 1 s
/vel 2 23.41[0-9]* 4.71[0-9]* -3.11[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.07[0-9]* -7.01[0-9]* -5.82[0-9]* 1 1 s
/vel 3 -33.28[0-9]* -15.23[0-9]* -0.65[0-9]*
endmol 136
mol 137 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.00[0-9]* -4.16[0-9]* -9.27[0-9]* 2 2 s 3 s
/vel 1 4.76[0-9]* 0.08[0-9]* -3.87[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.73[0-9]* -3.65[0-9]* -10.06[0-9]* 1 1 s
/vel 2 6.92[0-9]* -23.63[0-9]* -1.60[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.53[0-9]* -4.85[0-9]* -9.70[0-9]* 1 1 s
/vel 3 -6.67[0-9]* -2.34[0-9]* 41.20[0-9]*
endmol 137
mol 138 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.83[0-9]* 1.61[0-9]* -4.74[0-9]* 2 2 s 3 s
/vel 1 -1.26[0-9]* 3.71[0-9]* -2.74[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.82[0-9]* 1.72[0-9]* -4.85[0-9]* 1 1 s
/vel 2 -1.28[0-9]* -17.76[0-9]* 8.24[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.71[0-9]* 1.14[0-9]* -3.89[0-9]* 1 1 s
/vel 3 -23.35[0-9]* -8.83[0-9]* -25.83[0-9]*
endmol 138
mol 139 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.34[0-9]* 6.30[0-9]* -7.58[0-9]* 2 2 s 3 s
/vel 1 7.43[0-9]* -3.20[0-9]* 5.47[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.18[0-9]* 6.45[0-9]* -8.52[0-9]* 1 1 s
/vel 2 -21.49[0-9]* 12.29[0-9]* -8.10[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.11[0-9]* 5.43[0-9]* -7.42[0-9]* 1 1 s
/vel 3 -26.22[0-9]* -1.68[0-9]* 8.91[0-9]*
endmol 139
mol 140 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.22[0-9]* 7.75[0-9]* -5.94[0-9]* 2 2 s 3 s
/vel 1 -4.12[0-9]* 0.66[0-9]* 4.44[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.58[0-9]* 7.27[0-9]* -6.50[0-9]* 1 1 s
/vel 2 6.26[0-9]* 7.19[0-9]* -6.19[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.09[0-9]* 7.40[0-9]* -6.28[0-9]* 1 1 s
/vel 3 15.2[4-5][0-9]* -6.01[0-9]* 28.41[0-9]*
endmol 140
mol 141 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.82[0-9]* 8.91[0-9]* -3.54[0-9]* 2 2 s 3 s
/vel 1 -3.11[0-9]* 1.93[0-9]* 0.16[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.86[0-9]* 9.08[0-9]* -3.38[0-9]* 1 1 s
/vel 2 7.85[0-9]* -14.63[0-9]* -20.36[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.85[0-9]* 7.96[0-9]* -3.74[0-9]* 1 1 s
/vel 3 -3.44[0-9]* -3.45[0-9]* 21.45[0-9]*
endmol 141
mol 142 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.68[0-9]* -6.52[0-9]* -8.81[0-9]* 2 2 s 3 s
/vel 1 -0.32[0-9]* 3.60[0-9]* -6.65[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.58[0-9]* -6.19[0-9]* -7.86[0-9]* 1 1 s
/vel 2 -6.12[0-9]* 21.16[0-9]* 19.49[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.75[0-9]* -5.71[0-9]* -9.30[0-9]* 1 1 s
/vel 3 -1.54[0-9]* 18.06[0-9]* -11.45[0-9]*
endmol 142
mol 143 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.40[0-9]* -8.95[0-9]* -5.44[0-9]* 2 2 s 3 s
/vel 1 9.12[0-9]* 2.50[0-9]* -0.28[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 3.49[0-9]* -9.76[0-9]* -4.86[0-9]* 1 1 s
/vel 2 10.21[0-9]* 26.06[0-9]* -18.12[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.96[0-9]* -9.26[0-9]* -6.25[0-9]* 1 1 s
/vel 3 -31.69[0-9]* 11.76[0-9]* -5.13[0-9]*
endmol 143
mol 144 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.36[0-9]* 1.07[0-9]* 8.87[0-9]* 2 2 s 3 s
/vel 1 2.41[0-9]* -1.12[0-9]* 0.02[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.86[0-9]* 1.37[0-9]* 8.07[0-9]* 1 1 s
/vel 2 23.77[0-9]* -13.42[0-9]* 2.64[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.68[0-9]* 0.49[0-9]* 8.55[0-9]* 1 1 s
/vel 3 -2.43[0-9]* 8.92[0-9]* 27.01[0-9]*
endmol 144
mol 145 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.16[0-9]* -8.16[0-9]* -5.56[0-9]* 2 2 s 3 s
/vel 1 -10.52[0-9]* 3.47[0-9]* -4.69[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.50[0-9]* -7.87[0-9]* -4.70[0-9]* 1 1 s
/vel 2 -7.19[0-9]* 19.37[0-9]* 24.40[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.93[0-9]* -9.09[0-9]* -5.50[0-9]* 1 1 s
/vel 3 9.92[0-9]* -24.09[0-9]* -13.31[0-9]*
endmol 145
mol 146 "HOH"
/atom 1 O O OW - -0.83[0-9]* 1.73[0-9]* 1.10[0-9]* -8.09[0-9]* 2 2 s 3 s
/vel 1 -0.92[0-9]* 1.18[0-9]* -5.41[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.47[0-9]* 1.80[0-9]* -7.48[0-9]* 1 1 s
/vel 2 -3.56[0-9]* 5.22[0-9]* -13.84[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.09[0-9]* 0.41[0-9]* -7.51[0-9]* 1 1 s
/vel 3 -16.27[0-9]* 6.21[0-9]* 6.93[0-9]*
endmol 146
mol 147 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.25[0-9]* -3.97[0-9]* 8.00[0-9]* 2 2 s 3 s
/vel 1 -5.68[0-9]* 6.84[0-9]* -0.02[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 9.20[0-9]* -4.23[0-9]* 7.93[0-9]* 1 1 s
/vel 2 26.79[0-9]* 27.47[0-9]* -18.58[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.90[0-9]* -4.05[0-9]* 7.09[0-9]* 1 1 s
/vel 3 21.97[0-9]* -31.11[0-9]* -20.10[0-9]*
endmol 147
mol 148 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.49[0-9]* -5.93[0-9]* -1.50[0-9]* 2 2 s 3 s
/vel 1 -2.20[0-9]* 4.80[0-9]* -6.16[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.61[0-9]* -5.86[0-9]* -0.53[0-9]* 1 1 s
/vel 2 -11.75[0-9]* -3.06[0-9]* 37.21[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.02[0-9]* -5.06[0-9]* -1.67[0-9]* 1 1 s
/vel 3 0.37[0-9]* 4.81[0-9]* -22.83[0-9]*
endmol 148
mol 149 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.15[0-9]* 5.12[0-9]* -5.76[0-9]* 2 2 s 3 s
/vel 1 -0.06[0-9]* -0.92[0-9]* -0.35[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.20[0-9]* 4.97[0-9]* -5.89[0-9]* 1 1 s
/vel 2 17.02[0-9]* -44.57[0-9]* -12.65[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.41[0-9]* 5.41[0-9]* -6.64[0-9]* 1 1 s
/vel 3 16.92[0-9]* 9.69[0-9]* 22.14[0-9]*
endmol 149
mol 150 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.67[0-9]* -5.96[0-9]* -2.96[0-9]* 2 2 s 3 s
/vel 1 4.39[0-9]* 0.36[0-9]* 0.17[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.47[0-9]* -6.46[0-9]* -3.05[0-9]* 1 1 s
/vel 2 26.96[0-9]* 1.47[0-9]* -7.17[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.84[0-9]* -5.26[0-9]* -3.62[0-9]* 1 1 s
/vel 3 -21.45[0-9]* -6.67[0-9]* -36.16[0-9]*
endmol 150
mol 151 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.24[0-9]* 2.00[0-9]* -7.45[0-9]* 2 2 s 3 s
/vel 1 -7.80[0-9]* 4.97[0-9]* -1.82[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.30[0-9]* 1.93[0-9]* -7.26[0-9]* 1 1 s
/vel 2 -1.18[0-9]* -0.75[0-9]* 6.30[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.30[0-9]* 1.57[0-9]* -8.38[0-9]* 1 1 s
/vel 3 1.41[0-9]* -3.31[0-9]* 14.49[0-9]*
endmol 151
mol 152 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.82[0-9]* 8.91[0-9]* -2.75[0-9]* 2 2 s 3 s
/vel 1 -0.80[0-9]* -1.30[0-9]* 7.25[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -9.19[0-9]* 9.27[0-9]* -1.95[0-9]* 1 1 s
/vel 2 -30.54[0-9]* -18.32[0-9]* 2.74[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -9.46[0-9]* 9.18[0-9]* -3.40[0-9]* 1 1 s
/vel 3 -10.80[0-9]* 0.69[0-9]* 3.99[0-9]*
endmol 152
mol 153 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.88[0-9]* -4.14[0-9]* 0.23[0-9]* 2 2 s 3 s
/vel 1 -1.26[0-9]* 4.17[0-9]* -3.42[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.19[0-9]* -4.73[0-9]* 0.60[0-9]* 1 1 s
/vel 2 13.67[0-9]* -5.87[0-9]* 3.63[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.35[0-9]* -3.83[0-9]* 1.03[0-9]* 1 1 s
/vel 3 11.28[0-9]* 5.02[0-9]* 21.52[0-9]*
endmol 153
mol 154 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.19[0-9]* 7.27[0-9]* 1.61[0-9]* 2 2 s 3 s
/vel 1 -3.08[0-9]* 6.91[0-9]* 5.90[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.90[0-9]* 6.79[0-9]* 2.41[0-9]* 1 1 s
/vel 2 -12.00[0-9]* -1.88[0-9]* 4.10[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.88[0-9]* 8.17[0-9]* 1.69[0-9]* 1 1 s
/vel 3 -36.09[0-9]* 37.81[0-9]* 1.11[0-9]*
endmol 154
mol 155 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.95[0-9]* -1.23[0-9]* 7.88[0-9]* 2 2 s 3 s
/vel 1 -2.00[0-9]* 0.05[0-9]* -3.64[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.38[0-9]* -2.02[0-9]* 7.59[0-9]* 1 1 s
/vel 2 11.14[0-9]* 8.89[0-9]* -0.63[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.36[0-9]* -0.59[0-9]* 7.32[0-9]* 1 1 s
/vel 3 16.13[0-9]* -6.04[0-9]* -3.00[0-9]*
endmol 155
mol 156 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.58[0-9]* -9.04[0-9]* 2.60[0-9]* 2 2 s 3 s
/vel 1 2.74[0-9]* -1.90[0-9]* -5.74[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.27[0-9]* -9.20[0-9]* 2.99[0-9]* 1 1 s
/vel 2 -22.51[0-9]* 1.50[0-9]* -12.36[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.44[0-9]* -9.27[0-9]* 1.69[0-9]* 1 1 s
/vel 3 -13.27[0-9]* 4.88[0-9]* -12.95[0-9]*
endmol 156
mol 157 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.17[0-9]* 4.03[0-9]* 7.53[0-9]* 2 2 s 3 s
/vel 1 11.44[0-9]* 2.34[0-9]* 2.38[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -0.42[0-9]* 4.99[0-9]* 7.68[0-9]* 1 1 s
/vel 2 3.81[0-9]* 22.82[0-9]* 26.08[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.79[0-9]* 3.62[0-9]* 8.05[0-9]* 1 1 s
/vel 3 5.63[0-9]* -2.76[0-9]* -19.48[0-9]*
endmol 157
mol 158 "HOH"
/atom 1 O O OW - -0.83[0-9]* 4.99[0-9]* 3.65[0-9]* -8.18[0-9]* 2 2 s 3 s
/vel 1 -3.09[0-9]* -7.28[0-9]* -4.09[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.49[0-9]* 3.38[0-9]* -8.96[0-9]* 1 1 s
/vel 2 -5.64[0-9]* 14.50[0-9]* -12.60[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.11[0-9]* 2.85[0-9]* -7.63[0-9]* 1 1 s
/vel 3 -0.38[0-9]* -16.90[0-9]* -12.56[0-9]*
endmol 158
mol 159 "HOH"
/atom 1 O O OW - -0.83[0-9]* 9.10[0-9]* 4.82[0-9]* 5.56[0-9]* 2 2 s 3 s
/vel 1 -7.46[0-9]* -0.24[0-9]* 8.43[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 9.22[0-9]* 4.87[0-9]* 4.57[0-9]* 1 1 s
/vel 2 -18.49[0-9]* -3.35[0-9]* -17.37[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.63[0-9]* 3.96[0-9]* 5.66[0-9]* 1 1 s
/vel 3 35.16[0-9]* -1.31[0-9]* 19.03[0-9]*
endmol 159
mol 160 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.97[0-9]* -7.13[0-9]* -8.06[0-9]* 2 2 s 3 s
/vel 1 -2.44[0-9]* -3.76[0-9]* 3.88[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.04[0-9]* -7.94[0-9]* -8.59[0-9]* 1 1 s
/vel 2 0.96[0-9]* -31.63[0-9]* 4.78[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.34[0-9]* -7.33[0-9]* -7.19[0-9]* 1 1 s
/vel 3 -0.47[0-9]* -4.27[0-9]* 29.52[0-9]*
endmol 160
mol 161 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.84[0-9]* 4.82[0-9]* -4.62[0-9]* 2 2 s 3 s
/vel 1 -2.58[0-9]* -3.50[0-9]* -0.49[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.19[0-9]* 4.34[0-9]* -3.87[0-9]* 1 1 s
/vel 2 2.22[0-9]* 12.75[0-9]* -12.08[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.70[0-9]* 5.69[0-9]* -4.20[0-9]* 1 1 s
/vel 3 -19.80[0-9]* -1.33[0-9]* 13.65[0-9]*
endmol 161
mol 162 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.84[0-9]* -6.14[0-9]* 8.90[0-9]* 2 2 s 3 s
/vel 1 -1.80[0-9]* 0.90[0-9]* 1.84[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.98[0-9]* -5.42[0-9]* 8.30[0-9]* 1 1 s
/vel 2 -21.57[0-9]* -0.23[0-9]* -5.13[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.69[0-9]* -6.22[0-9]* 9.43[0-9]* 1 1 s
/vel 3 0.49[0-9]* -22.65[0-9]* 11.03[0-9]*
endmol 162
mol 163 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.66[0-9]* 5.63[0-9]* 7.43[0-9]* 2 2 s 3 s
/vel 1 4.00[0-9]* -6.85[0-9]* 3.41[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.10[0-9]* 6.07[0-9]* 8.18[0-9]* 1 1 s
/vel 2 16.46[0-9]* 11.90[0-9]* -32.84[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.45[0-9]* 5.28[0-9]* 6.93[0-9]* 1 1 s
/vel 3 19.25[0-9]* -7.83[0-9]* 10.42[0-9]*
endmol 163
mol 164 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.03[0-9]* 7.78[0-9]* -3.48[0-9]* 2 2 s 3 s
/vel 1 2.42[0-9]* 1.81[0-9]* -6.41[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.14[0-9]* 8.45[0-9]* -4.14[0-9]* 1 1 s
/vel 2 6.08[0-9]* -3.58[0-9]* -1.53[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.91[0-9]* 7.43[0-9]* -3.64[0-9]* 1 1 s
/vel 3 11.38[0-9]* -12.57[0-9]* -14.25[0-9]*
endmol 164
mol 165 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.49[0-9]* -8.84[0-9]* -5.67[0-9]* 2 2 s 3 s
/vel 1 2.31[0-9]* 4.52[0-9]* 2.68[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 7.58[0-9]* -9.19[0-9]* -5.66[0-9]* 1 1 s
/vel 2 -8.07[0-9]* 2.43[0-9]* -6.37[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.99[0-9]* -9.48[0-9]* -6.13[0-9]* 1 1 s
/vel 3 7.72[0-9]* 24.44[0-9]* -10.32[0-9]*
endmol 165
mol 166 "HOH"
/atom 1 O O OW - -0.83[0-9]* -9.12[0-9]* -8.99[0-9]* -8.53[0-9]* 2 2 s 3 s
/vel 1 -4.06[0-9]* 1.57[0-9]* 4.62[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.36[0-9]* -9.41[0-9]* -9.01[0-9]* 1 1 s
/vel 2 -6.13[0-9]* -28.73[0-9]* -6.35[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.66[0-9]* -8.30[0-9]* -8.08[0-9]* 1 1 s
/vel 3 -18.93[0-9]* 11.90[0-9]* -4.25[0-9]*
endmol 166
mol 167 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.79[0-9]* -1.25[0-9]* -1.35[0-9]* 2 2 s 3 s
/vel 1 0.44[0-9]* 1.29[0-9]* 10.94[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -9.19[0-9]* -0.41[0-9]* -1.11[0-9]* 1 1 s
/vel 2 -20.70[0-9]* 21.12[0-9]* 8.27[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.87[0-9]* -1.06[0-9]* -1.35[0-9]* 1 1 s
/vel 3 -12.38[0-9]* -30.06[0-9]* -15.27[0-9]*
endmol 167
mol 168 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.95[0-9]* 3.82[0-9]* -9.06[0-9]* 2 2 s 3 s
/vel 1 0.05[0-9]* -1.75[0-9]* 10.21[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.90[0-9]* 3.66[0-9]* -8.12[0-9]* 1 1 s
/vel 2 8.31[0-9]* 4.48[0-9]* -24.97[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.86[0-9]* 4.13[0-9]* -9.16[0-9]* 1 1 s
/vel 3 18.89[0-9]* 13.06[0-9]* -4.89[0-9]*
endmol 168
mol 169 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.40[0-9]* 1.05[0-9]* 7.66[0-9]* 2 2 s 3 s
/vel 1 -1.57[0-9]* 0.31[0-9]* -0.66[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.78[0-9]* 0.58[0-9]* 8.39[0-9]* 1 1 s
/vel 2 0.91[0-9]* 25.67[0-9]* -19.55[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.90[0-9]* 1.78[0-9]* 8.09[0-9]* 1 1 s
/vel 3 12.17[0-9]* -1.72[0-9]* -12.84[0-9]*
endmol 169
mol 170 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.19[0-9]* -7.52[0-9]* 6.97[0-9]* 2 2 s 3 s
/vel 1 2.18[0-9]* 1.13[0-9]* 3.60[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 5.23[0-9]* -8.49[0-9]* 6.97[0-9]* 1 1 s
/vel 2 -16.42[0-9]* 0.11[0-9]* 18.79[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 5.73[0-9]* -7.25[0-9]* 6.23[0-9]* 1 1 s
/vel 3 18.26[0-9]* 7.03[0-9]* 13.09[0-9]*
endmol 170
mol 171 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.38[0-9]* -8.99[0-9]* 8.60[0-9]* 2 2 s 3 s
/vel 1 0.04[0-9]* -2.69[0-9]* 5.81[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.63[0-9]* -8.49[0-9]* 8.21[0-9]* 1 1 s
/vel 2 16.24[0-9]* 12.15[0-9]* 5.48[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.02[0-9]* -8.97[0-9]* 7.94[0-9]* 1 1 s
/vel 3 -2.84[0-9]* 19.34[0-9]* 7.95[0-9]*
endmol 171
mol 172 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.86[0-9]* 9.20[0-9]* -1.46[0-9]* 2 2 s 3 s
/vel 1 -7.72[0-9]* -8.62[0-9]* 4.65[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -5.19[0-9]* 8.48[0-9]* -1.38[0-9]* 1 1 s
/vel 2 -1.05[0-9]* 6.63[0-9]* 7.31[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.53[0-9]* 9.81[0-9]* -2.12[0-9]* 1 1 s
/vel 3 -5.88[0-9]* -8.67[0-9]* 10.07[0-9]*
endmol 172
mol 173 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.10[0-9]* -2.10[0-9]* 8.01[0-9]* 2 2 s 3 s
/vel 1 0.21[0-9]* 3.72[0-9]* 0.31[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.97[0-9]* -2.34[0-9]* 8.97[0-9]* 1 1 s
/vel 2 -10.43[0-9]* -7.23[0-9]* -7.72[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.20[0-9]* -1.11[0-9]* 8.05[0-9]* 1 1 s
/vel 3 29.60[0-9]* 20.20[0-9]* -23.45[0-9]*
endmol 173
mol 174 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.51[0-9]* -8.82[0-9]* -1.33[0-9]* 2 2 s 3 s
/vel 1 -3.91[0-9]* -6.10[0-9]* -1.26[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.05[0-9]* -8.03[0-9]* -1.59[0-9]* 1 1 s
/vel 2 -0.52[0-9]* -18.76[0-9]* 21.08[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -1.65[0-9]* -9.47[0-9]* -2.04[0-9]* 1 1 s
/vel 3 -12.84[0-9]* -15.36[0-9]* -5.93[0-9]*
endmol 174
mol 175 "HOH"
/atom 1 O O OW - -0.83[0-9]* 7.94[0-9]* -8.88[0-9]* 3.92[0-9]* 2 2 s 3 s
/vel 1 1.07[0-9]* 3.94[0-9]* 0.05[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.63[0-9]* -8.21[0-9]* 4.02[0-9]* 1 1 s
/vel 2 -1.55[0-9]* -14.49[0-9]* 7.17[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.13[0-9]* -9.23[0-9]* 3.02[0-9]* 1 1 s
/vel 3 -10.04[0-9]* -20.63[0-9]* 22.62[0-9]*
endmol 175
mol 176 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.76[0-9]* 8.42[0-9]* 7.18[0-9]* 2 2 s 3 s
/vel 1 -6.58[0-9]* -3.16[0-9]* 1.57[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.26[0-9]* 8.98[0-9]* 7.82[0-9]* 1 1 s
/vel 2 17.49[0-9]* -10.97[0-9]* -5.42[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.54[0-9]* 8.10[0-9]* 6.70[0-9]* 1 1 s
/vel 3 13.61[0-9]* 18.73[0-9]* 7.04[0-9]*
endmol 176
mol 177 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.03[0-9]* 6.24[0-9]* -9.34[0-9]* 2 2 s 3 s
/vel 1 7.98[0-9]* 2.88[0-9]* -3.15[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.22[0-9]* 6.47[0-9]* -9.84[0-9]* 1 1 s
/vel 2 18.71[0-9]* -8.00[0-9]* -26.10[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.60[0-9]* 5.83[0-9]* -10.03[0-9]* 1 1 s
/vel 3 3.35[0-9]* -3.91[0-9]* 9.37[0-9]*
endmol 177
mol 178 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.07[0-9]* 9.14[0-9]* 3.59[0-9]* 2 2 s 3 s
/vel 1 4.46[0-9]* -1.59[0-9]* -3.28[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.70[0-9]* 9.25[0-9]* 4.46[0-9]* 1 1 s
/vel 2 4.17[0-9]* 17.88[0-9]* 12.66[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.95[0-9]* 8.89[0-9]* 3.85[0-9]* 1 1 s
/vel 3 18.13[0-9]* 8.76[0-9]* 11.60[0-9]*
endmol 178
mol 179 "HOH"
/atom 1 O O OW - -0.83[0-9]* 6.90[0-9]* -8.88[0-9]* 9.08[0-9]* 2 2 s 3 s
/vel 1 1.22[0-9]* -2.96[0-9]* 1.07[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 6.66[0-9]* -7.97[0-9]* 9.00[0-9]* 1 1 s
/vel 2 21.66[0-9]* -11.42[0-9]* -25.02[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 7.74[0-9]* -8.90[0-9]* 9.61[0-9]* 1 1 s
/vel 3 12.25[0-9]* 7.27[0-9]* -19.41[0-9]*
endmol 179
mol 180 "HOH"
/atom 1 O O OW - -0.83[0-9]* -9.13[0-9]* -7.68[0-9]* 7.11[0-9]* 2 2 s 3 s
/vel 1 1.33[0-9]* -0.48[0-9]* 2.93[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -9.35[0-9]* -6.75[0-9]* 6.81[0-9]* 1 1 s
/vel 2 4.36[0-9]* -16.55[0-9]* 7.68[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.38[0-9]* -7.95[0-9]* 6.50[0-9]* 1 1 s
/vel 3 -29.15[0-9]* 11.80[0-9]* -7.54[0-9]*
endmol 180
mol 181 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.50[0-9]* 3.53[0-9]* 9.08[0-9]* 2 2 s 3 s
/vel 1 0.56[0-9]* -3.12[0-9]* 6.68[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.02[0-9]* 3.22[0-9]* 8.27[0-9]* 1 1 s
/vel 2 4.98[0-9]* 1.18[0-9]* -9.46[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 2.68[0-9]* 2.67[0-9]* 9.43[0-9]* 1 1 s
/vel 3 1.69[0-9]* 0.77[0-9]* -21.55[0-9]*
endmol 181
mol 182 "HOH"
/atom 1 O O OW - -0.83[0-9]* 9.28[0-9]* 4.43[0-9]* -8.71[0-9]* 2 2 s 3 s
/vel 1 -3.05[0-9]* -1.22[0-9]* 0.60[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.40[0-9]* 4.48[0-9]* -8.28[0-9]* 1 1 s
/vel 2 -0.41[0-9]* -2.83[0-9]* 2.18[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 9.54[0-9]* 5.41[0-9]* -8.74[0-9]* 1 1 s
/vel 3 -16.87[0-9]* 1.41[0-9]* -24.13[0-9]*
endmol 182
mol 183 "HOH"
/atom 1 O O OW - -0.83[0-9]* -5.61[0-9]* 7.33[0-9]* 8.65[0-9]* 2 2 s 3 s
/vel 1 -8.95[0-9]* 3.20[0-9]* 3.15[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -4.84[0-9]* 7.61[0-9]* 9.11[0-9]* 1 1 s
/vel 2 -4.20[0-9]* -20.84[0-9]* -34.98[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.97[0-9]* 8.22[0-9]* 8.43[0-9]* 1 1 s
/vel 3 9.88[0-9]* 9.09[0-9]* -29.89[0-9]*
endmol 183
mol 184 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.76[0-9]* -0.60[0-9]* -8.48[0-9]* 2 2 s 3 s
/vel 1 4.15[0-9]* -5.85[0-9]* -1.24[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.25[0-9]* -0.85[0-9]* -7.73[0-9]* 1 1 s
/vel 2 0.47[0-9]* 1.92[0-9]* 10.32[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.37[0-9]* 0.06[0-9]* -8.08[0-9]* 1 1 s
/vel 3 -8.65[0-9]* 0.33[0-9]* 13.12[0-9]*
endmol 184
mol 185 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.56[0-9]* 9.15[0-9]* 1.38[0-9]* 2 2 s 3 s
/vel 1 -1.99[0-9]* -0.62[0-9]* -2.32[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.97[0-9]* 9.96[0-9]* 1.75[0-9]* 1 1 s
/vel 2 -3.79[0-9]* -26.87[0-9]* 2.32[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.45[0-9]* 9.38[0-9]* 0.46[0-9]* 1 1 s
/vel 3 -1.43[0-9]* -3.62[0-9]* 7.74[0-9]*
endmol 185
mol 186 "HOH"
/atom 1 O O OW - -0.83[0-9]* -2.54[0-9]* 3.12[0-9]* 8.30[0-9]* 2 2 s 3 s
/vel 1 0.20[0-9]* -7.79[0-9]* -0.52[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -2.78[0-9]* 2.24[0-9]* 8.57[0-9]* 1 1 s
/vel 2 -9.00[0-9]* 1.69[0-9]* 2.02[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.77[0-9]* 3.10[0-9]* 7.33[0-9]* 1 1 s
/vel 3 -2.80[0-9]* -4.59[0-9]* -14.58[0-9]*
endmol 186
mol 187 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.22[0-9]* 6.07[0-9]* -0.55[0-9]* 2 2 s 3 s
/vel 1 -2.02[0-9]* 5.48[0-9]* 1.01[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.44[0-9]* 5.66[0-9]* -0.91[0-9]* 1 1 s
/vel 2 -29.52[0-9]* -6.97[0-9]* -4.82[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.91[0-9]* 6.55[0-9]* 0.28[0-9]* 1 1 s
/vel 3 6.61[0-9]* 3.30[0-9]* 21.20[0-9]*
endmol 187
mol 188 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.52[0-9]* 6.77[0-9]* -6.79[0-9]* 2 2 s 3 s
/vel 1 -0.77[0-9]* -2.26[0-9]* 6.69[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.28[0-9]* 6.71[0-9]* -7.73[0-9]* 1 1 s
/vel 2 30.31[0-9]* 12.16[0-9]* 25.01[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -4.38[0-9]* 6.21[0-9]* -6.76[0-9]* 1 1 s
/vel 3 12.04[0-9]* 3.24[0-9]* -15.93[0-9]*
endmol 188
mol 189 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.51[0-9]* -8.79[0-9]* 1.24[0-9]* 2 2 s 3 s
/vel 1 1.72[0-9]* 6.41[0-9]* 4.11[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.71[0-9]* -8.85[0-9]* 0.25[0-9]* 1 1 s
/vel 2 -25.46[0-9]* 4.78[0-9]* -10.12[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.73[0-9]* -8.19[0-9]* 1.20[0-9]* 1 1 s
/vel 3 -1.32[0-9]* 13.03[0-9]* 3.13[0-9]*
endmol 189
mol 190 "HOH"
/atom 1 O O OW - -0.83[0-9]* -0.66[0-9]* -4.69[0-9]* -8.96[0-9]* 2 2 s 3 s
/vel 1 -0.64[0-9]* -0.02[0-9]* -1.72[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.58[0-9]* -4.88[0-9]* -8.61[0-9]* 1 1 s
/vel 2 -1.89[0-9]* -27.19[0-9]* -3.15[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -0.27[0-9]* -4.49[0-9]* -8.15[0-9]* 1 1 s
/vel 3 14.87[0-9]* 10.88[0-9]* -11.01[0-9]*
endmol 190
mol 191 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.42[0-9]* 1.90[0-9]* -5.99[0-9]* 2 2 s 3 s
/vel 1 0.14[0-9]* -3.97[0-9]* -2.81[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.55[0-9]* 1.75[0-9]* -6.89[0-9]* 1 1 s
/vel 2 -3.90[0-9]* -12.55[0-9]* 14.91[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -7.99[0-9]* 2.76[0-9]* -5.92[0-9]* 1 1 s
/vel 3 -31.89[0-9]* 1.61[0-9]* -11.24[0-9]*
endmol 191
mol 192 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.28[0-9]* 2.99[0-9]* 3.54[0-9]* 2 2 s 3 s
/vel 1 3.34[0-9]* 1.20[0-9]* -1.17[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.78[0-9]* 2.84[0-9]* 2.72[0-9]* 1 1 s
/vel 2 12.16[0-9]* -6.39[0-9]* -3.27[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.54[0-9]* 2.35[0-9]* 3.49[0-9]* 1 1 s
/vel 3 -0.04[0-9]* -21.94[0-9]* 9.00[0-9]*
endmol 192
mol 193 "HOH"
/atom 1 O O OW - -0.83[0-9]* 5.56[0-9]* -7.16[0-9]* -6.66[0-9]* 2 2 s 3 s
/vel 1 4.22[0-9]* -0.38[0-9]* 1.45[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 4.92[0-9]* -7.83[0-9]* -6.33[0-9]* 1 1 s
/vel 2 -9.93[0-9]* 3.13[0-9]* 11.51[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 6.44[0-9]* -7.52[0-9]* -6.52[0-9]* 1 1 s
/vel 3 11.17[0-9]* -10.59[0-9]* -19.15[0-9]*
endmol 193
mol 194 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.60[0-9]* 8.45[0-9]* 9.22[0-9]* 2 2 s 3 s
/vel 1 4.22[0-9]* -5.02[0-9]* -8.24[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.16[0-9]* 9.15[0-9]* 9.67[0-9]* 1 1 s
/vel 2 8.10[0-9]* -8.78[0-9]* 18.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 1.53[0-9]* 8.80[0-9]* 9.18[0-9]* 1 1 s
/vel 3 -21.22[0-9]* 28.97[0-9]* -7.38[0-9]*
endmol 194
mol 195 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.68[0-9]* 2.20[0-9]* 1.38[0-9]* 2 2 s 3 s
/vel 1 -3.21[0-9]* -2.16[0-9]* -0.22[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -9.26[0-9]* 2.97[0-9]* 1.59[0-9]* 1 1 s
/vel 2 -2.77[0-9]* 8.87[0-9]* -18.94[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.44[0-9]* 2.35[0-9]* 0.45[0-9]* 1 1 s
/vel 3 -0.24[0-9]* -16.96[0-9]* -9.40[0-9]*
endmol 195
mol 196 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.93[0-9]* -0.70[0-9]* 2.01[0-9]* 2 2 s 3 s
/vel 1 3.35[0-9]* -6.59[0-9]* -2.94[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 9.43[0-9]* -1.51[0-9]* 1.80[0-9]* 1 1 s
/vel 2 -1.05[0-9]* 6.97[0-9]* -7.85[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 9.53[0-9]* 0.05[0-9]* 1.71[0-9]* 1 1 s
/vel 3 -21.15[0-9]* 18.68[0-9]* -35.99[0-9]*
endmol 196
mol 197 "HOH"
/atom 1 O O OW - -0.83[0-9]* -1.55[0-9]* -9.13[0-9]* 4.36[0-9]* 2 2 s 3 s
/vel 1 -2.86[0-9]* -0.60[0-9]* -0.72[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -1.35[0-9]* -8.14[0-9]* 4.39[0-9]* 1 1 s
/vel 2 -17.90[0-9]* -12.32[0-9]* -1.78[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -2.47[0-9]* -9.19[0-9]* 4.56[0-9]* 1 1 s
/vel 3 -11.48[0-9]* -3.76[0-9]* -8.91[0-9]*
endmol 197
mol 198 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.96[0-9]* 6.89[0-9]* 3.13[0-9]* 2 2 s 3 s
/vel 1 -8.26[0-9]* 0.19[0-9]* 0.17[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 9.11[0-9]* 7.52[0-9]* 2.44[0-9]* 1 1 s
/vel 2 -6.90[0-9]* 9.54[0-9]* 12.70[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.00[0-9]* 6.72[0-9]* 3.06[0-9]* 1 1 s
/vel 3 -25.88[0-9]* -11.71[0-9]* -2.85[0-9]*
endmol 198
mol 199 "HOH"
/atom 1 O O OW - -0.83[0-9]* 0.04[0-9]* -0.21[0-9]* 8.95[0-9]* 2 2 s 3 s
/vel 1 5.70[0-9]* 0.39[0-9]* 5.30[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 0.73[0-9]* -0.80[0-9]* 8.63[0-9]* 1 1 s
/vel 2 15.61[0-9]* -1.85[0-9]* -0.31[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 0.55[0-9]* 0.46[0-9]* 9.43[0-9]* 1 1 s
/vel 3 -11.73[0-9]* -19.25[0-9]* 1.33[0-9]*
endmol 199
mol 200 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.91[0-9]* 1.19[0-9]* -8.22[0-9]* 2 2 s 3 s
/vel 1 -0.08[0-9]* 5.76[0-9]* 3.92[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.85[0-9]* 2.14[0-9]* -8.34[0-9]* 1 1 s
/vel 2 13.75[0-9]* -9.15[0-9]* -2.37[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.01[0-9]* 0.82[0-9]* -8.47[0-9]* 1 1 s
/vel 3 1.12[0-9]* -25.61[0-9]* 17.32[0-9]*
endmol 200
mol 201 "HOH"
/atom 1 O O OW - -0.83[0-9]* -9.05[0-9]* 2.32[0-9]* -1.41[0-9]* 2 2 s 3 s
/vel 1 -6.13[0-9]* 1.41[0-9]* -9.12[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -8.40[0-9]* 2.51[0-9]* -2.11[0-9]* 1 1 s
/vel 2 27.73[0-9]* 10.24[0-9]* 12.98[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -9.82[0-9]* 2.01[0-9]* -1.88[0-9]* 1 1 s
/vel 3 -16.68[0-9]* 2.19[0-9]* -0.92[0-9]*
endmol 201
mol 202 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.39[0-9]* -9.23[0-9]* -8.65[0-9]* 2 2 s 3 s
/vel 1 6.00[0-9]* 5.24[0-9]* -1.15[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.40[0-9]* -9.18[0-9]* -7.70[0-9]* 1 1 s
/vel 2 17.03[0-9]* -19.55[0-9]* 13.09[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -5.82[0-9]* -8.48[0-9]* -8.88[0-9]* 1 1 s
/vel 3 -0.82[0-9]* 14.88[0-9]* -30.55[0-9]*
endmol 202
mol 203 "HOH"
/atom 1 O O OW - -0.83[0-9]* -6.35[0-9]* -8.12[0-9]* -3.76[0-9]* 2 2 s 3 s
/vel 1 -3.64[0-9]* -0.24[0-9]* -5.40[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.05[0-9]* -8.44[0-9]* -3.16[0-9]* 1 1 s
/vel 2 7.35[0-9]* -11.08[0-9]* -4.46[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.63[0-9]* -7.20[0-9]* -3.89[0-9]* 1 1 s
/vel 3 -12.31[0-9]* 17.99[0-9]* 27.06[0-9]*
endmol 203
mol 204 "HOH"
/atom 1 O O OW - -0.83[0-9]* -9.20[0-9]* -6.19[0-9]* -8.86[0-9]* 2 2 s 3 s
/vel 1 -7.08[0-9]* -8.33[0-9]* -1.20[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -9.17[0-9]* -6.87[0-9]* -9.57[0-9]* 1 1 s
/vel 2 -19.77[0-9]* 2.51[0-9]* 12.16[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.33[0-9]* -6.31[0-9]* -8.47[0-9]* 1 1 s
/vel 3 0.57[0-9]* -22.72[0-9]* -17.58[0-9]*
endmol 204
mol 205 "HOH"
/atom 1 O O OW - -0.83[0-9]* -7.05[0-9]* -9.12[0-9]* 6.23[0-9]* 2 2 s 3 s
/vel 1 0.77[0-9]* -5.42[0-9]* -2.10[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -6.37[0-9]* -8.47[0-9]* 6.47[0-9]* 1 1 s
/vel 2 -4.88[0-9]* -8.80[0-9]* -8.87[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -6.53[0-9]* -9.94[0-9]* 6.24[0-9]* 1 1 s
/vel 3 -16.08[0-9]* 13.31[0-9]* 25.06[0-9]*
endmol 205
mol 206 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.96[0-9]* -8.61[0-9]* 9.30[0-9]* 2 2 s 3 s
/vel 1 -1.08[0-9]* -1.51[0-9]* 0.90[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.58[0-9]* -7.79[0-9]* 9.68[0-9]* 1 1 s
/vel 2 -7.85[0-9]* -15.50[0-9]* -6.71[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.89[0-9]* -8.34[0-9]* 9.16[0-9]* 1 1 s
/vel 3 -16.03[0-9]* -14.88[0-9]* 23.85[0-9]*
endmol 206
mol 207 "HOH"
/atom 1 O O OW - -0.83[0-9]* -9.27[0-9]* -5.96[0-9]* -5.31[0-9]* 2 2 s 3 s
/vel 1 -1.01[0-9]* -8.03[0-9]* 0.90[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -9.95[0-9]* -6.64[0-9]* -5.30[0-9]* 1 1 s
/vel 2 3.98[0-9]* -10.07[0-9]* 14.57[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -9.74[0-9]* -5.10[0-9]* -5.28[0-9]* 1 1 s
/vel 3 -8.65[0-9]* -11.42[0-9]* 7.14[0-9]*
endmol 207
mol 208 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.29[0-9]* -1.88[0-9]* -8.85[0-9]* 2 2 s 3 s
/vel 1 -2.02[0-9]* -1.49[0-9]* 2.32[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 9.09[0-9]* -1.43[0-9]* -8.98[0-9]* 1 1 s
/vel 2 1.12[0-9]* -9.97[0-9]* -11.97[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.40[0-9]* -2.64[0-9]* -9.45[0-9]* 1 1 s
/vel 3 -10.59[0-9]* -3.60[0-9]* 13.21[0-9]*
endmol 208
mol 209 "HOH"
/atom 1 O O OW - -0.83[0-9]* -8.22[0-9]* 7.02[0-9]* -8.73[0-9]* 2 2 s 3 s
/vel 1 6.07[0-9]* 2.08[0-9]* 2.20[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -7.30[0-9]* 6.98[0-9]* -8.45[0-9]* 1 1 s
/vel 2 -16.30[0-9]* 7.40[0-9]* 15.78[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -8.60[0-9]* 7.65[0-9]* -8.08[0-9]* 1 1 s
/vel 3 -14.12[0-9]* -17.72[0-9]* -17.97[0-9]*
endmol 209
mol 210 "HOH"
/atom 1 O O OW - -0.83[0-9]* 3.22[0-9]* 8.98[0-9]* 3.26[0-9]* 2 2 s 3 s
/vel 1 5.60[0-9]* -0.79[0-9]* 0.45[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 2.26[0-9]* 9.16[0-9]* 3.03[0-9]* 1 1 s
/vel 2 12.90[0-9]* -6.21[0-9]* -14.55[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.59[0-9]* 8.80[0-9]* 2.39[0-9]* 1 1 s
/vel 3 -12.15[0-9]* 19.62[0-9]* 28.71[0-9]*
endmol 210
mol 211 "HOH"
/atom 1 O O OW - -0.83[0-9]* 2.24[0-9]* -8.62[0-9]* -0.40[0-9]* 2 2 s 3 s
/vel 1 1.18[0-9]* -0.13[0-9]* -4.43[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 1.96[0-9]* -7.85[0-9]* 0.16[0-9]* 1 1 s
/vel 2 -11.15[0-9]* -10.87[0-9]* 6.14[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 3.18[0-9]* -8.58[0-9]* -0.31[0-9]* 1 1 s
/vel 3 22.67[0-9]* 18.38[0-9]* 7.17[0-9]*
endmol 211
mol 212 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.75[0-9]* -3.20[0-9]* -5.89[0-9]* 2 2 s 3 s
/vel 1 4.27[0-9]* 1.07[0-9]* 4.25[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.07[0-9]* -2.77[0-9]* -5.33[0-9]* 1 1 s
/vel 2 -14.34[0-9]* 29.95[0-9]* -16.16[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 8.66[0-9]* -2.71[0-9]* -6.74[0-9]* 1 1 s
/vel 3 2.58[0-9]* 6.87[0-9]* -16.71[0-9]*
endmol 212
mol 213 "HOH"
/atom 1 O O OW - -0.83[0-9]* 8.95[0-9]* -4.87[0-9]* 4.13[0-9]* 2 2 s 3 s
/vel 1 0.27[0-9]* 1.50[0-9]* -2.68[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.62[0-9]* -4.17[0-9]* 3.54[0-9]* 1 1 s
/vel 2 21.84[0-9]* -17.36[0-9]* 0.00[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 9.59[0-9]* -4.39[0-9]* 4.67[0-9]* 1 1 s
/vel 3 0.66[0-9]* -14.24[0-9]* -9.78[0-9]*
endmol 213
mol 214 "HOH"
/atom 1 O O OW - -0.83[0-9]* 9.05[0-9]* -6.92[0-9]* 1.21[0-9]* 2 2 s 3 s
/vel 1 -2.17[0-9]* -2.26[0-9]* 2.10[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* 8.31[0-9]* -6.32[0-9]* 1.48[0-9]* 1 1 s
/vel 2 10.83[0-9]* 2.97[0-9]* 3.41[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* 9.81[0-9]* -6.32[0-9]* 1.19[0-9]* 1 1 s
/vel 3 -8.60[0-9]* -12.71[0-9]* 0.84[0-9]*
endmol 214
mol 215 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.46[0-9]* -2.29[0-9]* -8.76[0-9]* 2 2 s 3 s
/vel 1 -2.85[0-9]* -3.25[0-9]* 2.17[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.32[0-9]* -3.23[0-9]* -9.08[0-9]* 1 1 s
/vel 2 -8.30[0-9]* -40.32[0-9]* -36.54[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.12[0-9]* -2.29[0-9]* -7.87[0-9]* 1 1 s
/vel 3 6.39[0-9]* -30.07[0-9]* -9.34[0-9]*
endmol 215
mol 216 "HOH"
/atom 1 O O OW - -0.83[0-9]* -3.20[0-9]* -5.10[0-9]* 9.28[0-9]* 2 2 s 3 s
/vel 1 -6.34[0-9]* -1.31[0-9]* -4.18[0-9]*
/atom 2 H1 H HW - 0.41[0-9]* -3.43[0-9]* -5.48[0-9]* 8.38[0-9]* 1 1 s
/vel 2 -22.42[0-9]* 12.73[0-9]* 6.64[0-9]*
/atom 3 H2 H HW - 0.41[0-9]* -3.15[0-9]* -5.82[0-9]* 9.89[0-9]* 1 1 s
/vel 3 33.19[0-9]* 17.98[0-9]* 20.48[0-9]*
endmol 216