# X -CE-CE-X    4    5.0         180.0         2.0     torsion
# theta    Etot         Ebond       Eang        Etors       Evdw        Eel         som        
  0.00    5.321300    0.000000    0.000000    0.000000    0.181200    5.140100    5.321300
  1.00    5.324200    0.000000    0.000000    0.003000    0.181200    5.140000    5.324200
  2.00    5.333300    0.000100    0.000000    0.012000    0.181000    5.140200    5.333300
  3.00    5.347400    0.000000    0.000000    0.027000    0.180600    5.139800    5.347400
  4.00    5.367700    0.000000    0.000000    0.048000    0.180100    5.139600    5.367700
  5.00    5.393800    0.000000    0.000000    0.075000    0.179500    5.139200    5.393700
  6.00    5.428300    0.000000    0.000000    0.110500    0.178700    5.139100    5.428300
  7.00    5.466000    0.000100    0.000000    0.149600    0.177800    5.138400    5.465900
  8.00    5.509900    0.000100    0.000000    0.195000    0.176800    5.137900    5.509800
  9.00    5.557000    0.000100    0.000000    0.243200    0.175800    5.137900    5.557000
 10.00    5.611500    0.000000    0.000000    0.300000    0.174500    5.137100    5.611600
 11.00    5.672800    0.000000    0.000000    0.363100    0.173100    5.136600    5.672800
 12.00    5.739500    0.000000    0.000000    0.432100    0.171600    5.135900    5.739600
 13.00    5.811600    0.000000    0.000000    0.506800    0.169900    5.135000    5.811700
 14.00    5.890700    0.000000    0.000000    0.588200    0.168100    5.134300    5.890600
 15.00    5.968100    0.000100    0.000000    0.668300    0.166400    5.133300    5.968100
 16.00    6.059400    0.000100    0.000000    0.762300    0.164300    5.132700    6.059400
 17.00    6.148100    0.000000    0.000000    0.853900    0.162400    5.131800    6.148100
 18.00    6.247300    0.000100    0.000000    0.956600    0.160100    5.130400    6.247200
 19.00    6.347400    0.000000    0.000000    1.059900    0.158000    5.129500    6.347400
 20.00    6.452000    0.000000    0.000000    1.167900    0.155700    5.128500    6.452100
 21.00    6.561000    0.000100    0.000000    1.280300    0.153300    5.127300    6.561000
 22.00    6.677200    0.000000    0.000000    1.400100    0.150800    5.126300    6.677200
 23.00    6.797900    0.000100    0.000000    1.524400    0.148300    5.125200    6.798000
 24.00    6.922500    0.000000    0.000000    1.653000    0.145600    5.123900    6.922500
 25.00    7.051000    0.000000    0.000000    1.785600    0.142900    5.122400    7.050900
 26.00    7.187400    0.000000    0.000000    1.926100    0.140100    5.121200    7.187400
 27.00    7.315300    0.000000    0.000000    2.058100    0.137400    5.119700    7.315200
 28.00    7.458800    0.000100    0.000000    2.206100    0.134500    5.118100    7.458800
 29.00    7.602500    0.000100    0.000000    2.353700    0.131600    5.117100    7.602500
 30.00    7.744200    0.000000    0.000000    2.499900    0.128800    5.115500    7.744200
 31.00    7.894100    0.000000    0.000000    2.654100    0.125800    5.114100    7.894000
 32.00    8.046700    0.000100    0.000000    2.811200    0.122800    5.112600    8.046700
 33.00    8.201800    0.000000    0.000000    2.971000    0.119800    5.111000    8.201800
 34.00    8.350800    0.000000    0.000000    3.124300    0.117000    5.109500    8.350800
 35.00    8.516500    0.000000    0.000000    3.294800    0.113800    5.107900    8.516500
 36.00    8.669200    0.000000    0.000000    3.452200    0.110900    5.106100    8.669200
 37.00    8.830200    0.000000    0.000000    3.617700    0.107900    5.104500    8.830100
 38.00    9.000000    0.000100    0.000000    3.791800    0.104900    5.103200    9.000000
 39.00    9.163800    0.000000    0.000000    3.960600    0.101800    5.101300    9.163700
 40.00    9.336100    0.000000    0.000000    4.137700    0.098800    5.099700    9.336200
 41.00    9.493600    0.000000    0.000000    4.299700    0.095900    5.098000    9.493600
 42.00    9.659500    0.000000    0.000000    4.470000    0.093000    5.096400    9.659400
 43.00    9.841800    0.000000    0.000000    4.657300    0.089900    5.094600    9.841800
 44.00   10.008000    0.000100    0.000000    4.828600    0.087000    5.092800   10.008500
 45.00   10.176000    0.000100    0.000000    5.000000    0.084200    5.091600   10.175900
 46.00   10.342000    0.000100    0.000000    5.171400    0.081400    5.089500   10.342400
 47.00   10.509000    0.000000    0.000000    5.342700    0.078600    5.088100   10.509400
 48.00   10.692000    0.000000    0.000000    5.530000    0.075600    5.086300   10.691900
 49.00   10.858000    0.000000    0.000000    5.700300    0.072900    5.084500   10.857700
 50.00   11.016000    0.000000    0.000000    5.862300    0.070500    5.083200   11.016000
 51.00   11.189000    0.000000    0.000000    6.039400    0.067700    5.081500   11.188600
 52.00   11.354000    0.000100    0.000000    6.208200    0.065200    5.080100   11.353600
 53.00   11.523000    0.000000    0.000000    6.382300    0.062500    5.078100   11.522900
 54.00   11.684000    0.000000    0.000000    6.547800    0.060000    5.076500   11.684300
 55.00   11.838000    0.000000    0.000000    6.705200    0.057800    5.075200   11.838200
 56.00   12.005000    0.000000    0.000000    6.875700    0.055300    5.073600   12.004600
 57.00   12.154000    0.000000    0.000000    7.029000    0.053100    5.072100   12.154200
 58.00   12.310000    0.000100    0.000000    7.188800    0.050800    5.070800   12.310500
 59.00   12.464000    0.000000    0.000000    7.345900    0.048600    5.069300   12.463800
 60.00   12.614000    0.000000    0.000000    7.500100    0.046400    5.067600   12.614100
 61.00   12.757000    0.000100    0.000000    7.646300    0.044400    5.066500   12.757300
 62.00   12.901000    0.000100    0.000000    7.793900    0.042300    5.064600   12.900900
 63.00   13.046000    0.000000    0.000000    7.941900    0.040400    5.063300   13.045600
 64.00   13.175000    0.000000    0.000000    8.073900    0.038600    5.062400   13.174900
 65.00   13.312000    0.000000    0.000000    8.214400    0.036700    5.060900   13.312000
 66.00   13.442000    0.000000    0.000000    8.347000    0.035000    5.059800   13.441800
 67.00   13.568000    0.000100    0.000000    8.475600    0.033400    5.058700   13.567800
 68.00   13.689000    0.000000    0.000000    8.599900    0.031800    5.057400   13.689100
 69.00   13.806000    0.000100    0.000000    8.719700    0.030200    5.056000   13.806000
 70.00   13.916000    0.000000    0.000000    8.832100    0.028800    5.055100   13.916000
 71.00   14.022000    0.000000    0.000000    8.940100    0.027400    5.054100   14.021600
 72.00   14.122000    0.000100    0.000000    9.043400    0.026100    5.052900   14.122500
 73.00   14.223000    0.000000    0.000000    9.146100    0.024900    5.052400   14.223400
 74.00   14.313000    0.000100    0.000000    9.237700    0.023800    5.051600   14.313200
 75.00   14.405000    0.000100    0.000000    9.331700    0.022500    5.050300   14.404600
 76.00   14.483000    0.000000    0.000000    9.411800    0.021600    5.049900   14.483300
 77.00   14.563000    0.000000    0.000000    9.493200    0.020600    5.048900   14.562700
 78.00   14.636000    0.000000    0.000000    9.567900    0.019700    5.048400   14.636000
 79.00   14.704000    0.000000    0.000000    9.636900    0.018900    5.047800   14.703600
 80.00   14.765000    0.000000    0.000000    9.700000    0.018100    5.047100   14.765200
 81.00   14.821000    0.000100    0.000000    9.756800    0.017500    5.046900   14.821300
 82.00   14.868000    0.000100    0.000000    9.805000    0.016800    5.045900   14.867800
 83.00   14.912000    0.000100    0.000000    9.850400    0.016300    5.045400   14.912200
 84.00   14.951000    0.000000    0.000000    9.889500    0.015900    5.045500   14.950900
 85.00   14.985000    0.000000    0.000000    9.925000    0.015400    5.044900   14.985300
 86.00   15.012000    0.000000    0.000000    9.952000    0.015100    5.044800   15.011900
 87.00   15.032000    0.000000    0.000000    9.973000    0.014900    5.044500   15.032400
 88.00   15.048000    0.000100    0.000000    9.988000    0.014800    5.044800   15.047700
 89.00   15.056000    0.000000    0.000000    9.997000    0.014600    5.044300   15.055900
 90.00   15.059000    0.000000    0.000000   10.000000    0.014600    5.044400   15.059000
 91.00   15.056000    0.000000    0.000000    9.997000    0.014600    5.044300   15.055900
 92.00   15.048000    0.000100    0.000000    9.988000    0.014800    5.044800   15.047700
 93.00   15.032000    0.000000    0.000000    9.973000    0.014900    5.044500   15.032400
 94.00   15.012000    0.000000    0.000000    9.952000    0.015100    5.044800   15.011900
 95.00   14.985000    0.000000    0.000000    9.925000    0.015400    5.044900   14.985300
 96.00   14.951000    0.000000    0.000000    9.889500    0.015900    5.045500   14.950900
 97.00   14.912000    0.000100    0.000000    9.850400    0.016300    5.045400   14.912200
 98.00   14.868000    0.000100    0.000000    9.805000    0.016800    5.045900   14.867800
 99.00   14.821000    0.000100    0.000000    9.756800    0.017500    5.046900   14.821300
100.00   14.765000    0.000000    0.000000    9.700000    0.018100    5.047100   14.765200
101.00   14.704000    0.000000    0.000000    9.636900    0.018900    5.047800   14.703600
102.00   14.636000    0.000000    0.000000    9.567900    0.019700    5.048400   14.636000
103.00   14.563000    0.000000    0.000000    9.493200    0.020600    5.048900   14.562700
104.00   14.483000    0.000000    0.000000    9.411800    0.021600    5.049900   14.483300
105.00   14.405000    0.000100    0.000000    9.331700    0.022500    5.050300   14.404600
106.00   14.313000    0.000100    0.000000    9.237700    0.023800    5.051600   14.313200
107.00   14.223000    0.000000    0.000000    9.146100    0.024900    5.052400   14.223400
108.00   14.122000    0.000100    0.000000    9.043400    0.026100    5.052900   14.122500
109.00   14.022000    0.000000    0.000000    8.940100    0.027400    5.054100   14.021600
110.00   13.916000    0.000000    0.000000    8.832100    0.028800    5.055100   13.916000
111.00   13.806000    0.000100    0.000000    8.719700    0.030200    5.056000   13.806000
112.00   13.689000    0.000000    0.000000    8.599900    0.031800    5.057400   13.689100
113.00   13.568000    0.000100    0.000000    8.475600    0.033400    5.058700   13.567800
114.00   13.442000    0.000000    0.000000    8.347000    0.035000    5.059800   13.441800
115.00   13.312000    0.000000    0.000000    8.214400    0.036700    5.060900   13.312000
116.00   13.175000    0.000000    0.000000    8.073900    0.038600    5.062400   13.174900
117.00   13.046000    0.000000    0.000000    7.941900    0.040400    5.063300   13.045600
118.00   12.901000    0.000100    0.000000    7.793900    0.042300    5.064600   12.900900
119.00   12.757000    0.000100    0.000000    7.646300    0.044400    5.066500   12.757300
120.00   12.614000    0.000000    0.000000    7.500100    0.046400    5.067600   12.614100
121.00   12.464000    0.000000    0.000000    7.345900    0.048600    5.069300   12.463800
122.00   12.310000    0.000100    0.000000    7.188800    0.050800    5.070800   12.310500
123.00   12.154000    0.000000    0.000000    7.029000    0.053100    5.072100   12.154200
124.00   12.005000    0.000000    0.000000    6.875700    0.055300    5.073600   12.004600
125.00   11.838000    0.000000    0.000000    6.705200    0.057800    5.075200   11.838200
126.00   11.684000    0.000000    0.000000    6.547800    0.060000    5.076500   11.684300
127.00   11.523000    0.000000    0.000000    6.382300    0.062500    5.078100   11.522900
128.00   11.354000    0.000100    0.000000    6.208200    0.065200    5.080100   11.353600
129.00   11.189000    0.000000    0.000000    6.039400    0.067700    5.081500   11.188600
130.00   11.016000    0.000000    0.000000    5.862300    0.070500    5.083200   11.016000
131.00   10.858000    0.000000    0.000000    5.700300    0.072900    5.084500   10.857700
132.00   10.692000    0.000000    0.000000    5.530000    0.075600    5.086300   10.691900
133.00   10.509000    0.000000    0.000000    5.342700    0.078600    5.088100   10.509400
134.00   10.342000    0.000100    0.000000    5.171400    0.081400    5.089500   10.342400
135.00   10.176000    0.000100    0.000000    5.000000    0.084200    5.091600   10.175900
136.00   10.008000    0.000100    0.000000    4.828600    0.087000    5.092800   10.008500
137.00    9.841800    0.000000    0.000000    4.657300    0.089900    5.094600    9.841800
138.00    9.659500    0.000000    0.000000    4.470000    0.093000    5.096400    9.659400
139.00    9.493600    0.000000    0.000000    4.299700    0.095900    5.098000    9.493600
140.00    9.336100    0.000000    0.000000    4.137700    0.098800    5.099700    9.336200
141.00    9.163800    0.000000    0.000000    3.960600    0.101800    5.101300    9.163700
142.00    9.000000    0.000100    0.000000    3.791800    0.104900    5.103200    9.000000
143.00    8.830200    0.000000    0.000000    3.617700    0.107900    5.104500    8.830100
144.00    8.669200    0.000000    0.000000    3.452200    0.110900    5.106100    8.669200
145.00    8.516500    0.000000    0.000000    3.294800    0.113800    5.107900    8.516500
146.00    8.350800    0.000000    0.000000    3.124300    0.117000    5.109500    8.350800
147.00    8.201800    0.000000    0.000000    2.971000    0.119800    5.111000    8.201800
148.00    8.046700    0.000100    0.000000    2.811200    0.122800    5.112600    8.046700
149.00    7.894100    0.000000    0.000000    2.654100    0.125800    5.114100    7.894000
150.00    7.744200    0.000000    0.000000    2.499900    0.128800    5.115500    7.744200
151.00    7.602500    0.000100    0.000000    2.353700    0.131600    5.117100    7.602500
152.00    7.458800    0.000100    0.000000    2.206100    0.134500    5.118100    7.458800
153.00    7.315300    0.000000    0.000000    2.058100    0.137400    5.119700    7.315200
154.00    7.187400    0.000000    0.000000    1.926100    0.140100    5.121200    7.187400
155.00    7.051000    0.000000    0.000000    1.785600    0.142900    5.122400    7.050900
156.00    6.922500    0.000000    0.000000    1.653000    0.145600    5.123900    6.922500
157.00    6.797900    0.000100    0.000000    1.524400    0.148300    5.125200    6.798000
158.00    6.677200    0.000000    0.000000    1.400100    0.150800    5.126300    6.677200
159.00    6.561000    0.000100    0.000000    1.280300    0.153300    5.127300    6.561000
160.00    6.452000    0.000000    0.000000    1.167900    0.155700    5.128500    6.452100
161.00    6.347400    0.000000    0.000000    1.059900    0.158000    5.129500    6.347400
162.00    6.247300    0.000100    0.000000    0.956600    0.160100    5.130400    6.247200
163.00    6.148100    0.000000    0.000000    0.853900    0.162400    5.131800    6.148100
164.00    6.059400    0.000100    0.000000    0.762300    0.164300    5.132700    6.059400
165.00    5.968100    0.000100    0.000000    0.668300    0.166400    5.133300    5.968100
166.00    5.890700    0.000000    0.000000    0.588200    0.168100    5.134300    5.890600
167.00    5.811600    0.000000    0.000000    0.506800    0.169900    5.135000    5.811700
168.00    5.739500    0.000000    0.000000    0.432100    0.171600    5.135900    5.739600
169.00    5.672800    0.000000    0.000000    0.363100    0.173100    5.136600    5.672800
170.00    5.611500    0.000000    0.000000    0.300000    0.174500    5.137100    5.611600
171.00    5.557000    0.000100    0.000000    0.243200    0.175800    5.137900    5.557000
172.00    5.509900    0.000100    0.000000    0.195000    0.176800    5.137900    5.509800
173.00    5.466000    0.000100    0.000000    0.149600    0.177800    5.138400    5.465900
174.00    5.428300    0.000000    0.000000    0.110500    0.178700    5.139100    5.428300
175.00    5.393800    0.000000    0.000000    0.075000    0.179500    5.139200    5.393700
176.00    5.367700    0.000000    0.000000    0.048000    0.180100    5.139600    5.367700
177.00    5.347400    0.000000    0.000000    0.027000    0.180600    5.139800    5.347400
178.00    5.333300    0.000100    0.000000    0.012000    0.181000    5.140200    5.333300
179.00    5.324200    0.000000    0.000000    0.003000    0.181200    5.140000    5.324200
180.00    5.321300    0.000000    0.000000    0.000000    0.181200    5.140100    5.321300
