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1
# Centers of mass used 
2
# Variables monitored 
3
# b  H  1 C           2
4
# b  H  1 N           3
5
# b  C  2 N           3
6
# a H    1C    2N    3
7
# s Var1 ... VarN Erel(kcal/mol) E (eV)
8
# Iteration     0
9
    0.000   1.069   2.229   1.160  180.00    0.00     -422.919422
10
    1.470   1.082   2.121   1.160  142.20  -18.48     -423.720988
11
    2.205   1.092   1.894   1.160  114.48  -59.29     -425.490375
12
    2.941   1.099   1.633   1.160   92.52 -112.16     -427.783356
13
    3.673   1.333   1.453   1.160   70.92 -178.13     -430.643817
14
    4.418   1.553   1.259   1.160   52.92 -204.88     -431.804107
15
    5.148   1.738   1.086   1.160   37.80 -170.37     -430.307582
16
    5.882   1.905   0.970   1.160   24.12  -81.05     -426.434234
17
    6.620   2.059   0.951   1.160   11.52  -71.98     -426.040719
18
    7.345   2.200   1.040   1.160    0.00 -179.66     -430.710152
19
 
20
 
21
# Iteration     1
22
    0.000   1.089   2.249   1.160  180.00    0.00     -423.031084
23
    1.470   1.102   2.140   1.157  142.60  -17.55     -423.792267
24
    2.210   1.110   1.911   1.154  115.06  -57.26     -425.514049
25
    2.952   1.119   1.648   1.157   92.81 -110.52     -427.823665
26
    3.687   1.312   1.437   1.160   70.75 -175.79     -430.654294
27
    4.409   1.570   1.283   1.161   53.52 -204.27     -431.888977
28
    5.152   1.755   1.109   1.151   38.22 -181.32     -430.893863
29
    5.878   1.918   0.997   1.147   24.59 -112.86     -427.925316
30
    6.624   2.075   0.980   1.146   11.66 -111.18     -427.852426
31
    7.346   2.214   1.068   1.146    0.00 -198.22     -431.626794
32
 
33
 
34
# Iteration     2
35
    0.000   1.111   2.273   1.162  180.00    0.00     -423.131893
36
    1.495   1.123   2.154   1.152  142.40  -17.19     -423.877482
37
    2.226   1.126   1.922   1.139  116.13  -54.19     -425.482025
38
    2.967   1.133   1.661   1.140   93.88 -106.47     -427.748953
39
    3.717   1.293   1.431   1.172   70.78 -173.13     -430.639382
40
    4.457   1.589   1.309   1.161   54.17 -202.99     -431.934388
41
    5.204   1.769   1.136   1.140   38.93 -191.63     -431.441986
42
    5.934   1.921   1.019   1.126   25.03 -134.99     -428.985851
43
    6.681   2.099   1.000   1.151   11.78 -132.05     -428.858330
44
    7.414   2.225   1.098   1.126    0.01 -213.49     -432.389658
45
 
46
 
47
# Iteration     3
48
    0.000   1.133   2.286   1.153  180.00    0.00     -423.209979
49
    1.509   1.146   2.169   1.146  142.21  -17.07     -423.950013
50
    2.258   1.143   1.929   1.134  115.78  -54.00     -425.551796
51
    3.001   1.150   1.666   1.133   93.76 -105.99     -427.806271
52
    3.747   1.275   1.425   1.177   70.97 -170.50     -430.603434
53
    4.502   1.604   1.339   1.159   55.17 -200.86     -431.920006
54
    5.249   1.781   1.168   1.126   39.98 -200.60     -431.908768
55
    5.995   1.925   1.045   1.104   25.58 -157.12     -430.023395
56
    6.749   2.125   1.025   1.153   11.91 -154.73     -429.919656
57
    7.488   2.243   1.132   1.111    0.18 -226.00     -433.010427
58
 
59
 
60
# Iteration     4
61
    0.000   1.159   2.319   1.160  180.00    0.00     -423.279873
62
    1.499   1.173   2.200   1.145  143.26  -15.65     -423.958561
63
    2.243   1.161   1.958   1.126  117.75  -49.47     -425.425212
64
    2.994   1.152   1.689   1.115   96.31  -97.71     -427.516878
65
    3.739   1.250   1.444   1.167   73.30 -162.84     -430.341447
66
    4.490   1.547   1.329   1.152   56.73 -196.54     -431.802926
67
    5.244   1.781   1.207   1.113   41.79 -206.49     -432.234020
68
    5.985   1.921   1.080   1.082   27.25 -178.72     -431.030016
69
    6.736   2.139   1.052   1.151   13.24 -174.65     -430.853469
70
    7.475   2.256   1.152   1.105    1.46 -230.29     -433.266223
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72
 
73
# Iteration     5
74
    0.000   1.186   2.337   1.150  180.00    0.00     -423.332806
75
    1.496   1.202   2.226   1.141  143.62  -14.91     -423.979219
76
    2.245   1.177   1.978   1.119  118.97  -46.52     -425.350212
77
    2.988   1.152   1.714   1.130   97.37  -93.69     -427.395785
78
    3.725   1.231   1.463   1.153   75.62 -155.27     -430.065978
79
    4.481   1.526   1.323   1.166   57.01 -194.44     -431.764660
80
    5.216   1.779   1.249   1.102   44.04 -209.07     -432.399110
81
    5.962   1.924   1.126   1.058   29.22 -199.07     -431.965310
82
    6.706   2.152   1.070   1.161   14.72 -184.44     -431.330813
83
    7.446   2.261   1.160   1.103    3.12 -231.06     -433.352475
84
 
85
 
86
# Iteration     6
87
    0.000   1.219   2.372   1.153  180.00    0.00     -423.369479
88
    1.515   1.233   2.253   1.136  143.92  -14.10     -423.980825
89
    2.261   1.191   2.001   1.114  120.52  -43.21     -425.243470
90
    3.018   1.161   1.731   1.118   98.79  -89.57     -427.253799
91
    3.769   1.213   1.471   1.157   76.70 -151.13     -429.922966
92
    4.518   1.500   1.323   1.178   57.73 -192.19     -431.703562
93
    5.267   1.793   1.291   1.121   45.74 -209.18     -432.440651
94
    6.024   1.913   1.171   1.025   31.68 -208.98     -432.431867
95
    6.777   2.166   1.098   1.166   16.47 -197.85     -431.949087
96
    7.519   2.267   1.174   1.101    4.93 -232.71     -433.460733
97
 
98
 
99
# Iteration     7
100
    0.000   1.252   2.408   1.156  180.00    0.00     -423.385113
101
    1.524   1.242   2.274   1.144  144.72  -13.06     -423.951398
102
    2.276   1.202   2.019   1.110  121.64  -41.08     -425.166579
103
    3.040   1.170   1.746   1.111   99.83  -86.88     -427.152607
104
    3.791   1.193   1.481   1.156   78.14 -146.21     -429.725520
105
    4.556   1.480   1.324   1.187   58.30 -190.73     -431.656054
106
    5.308   1.790   1.302   1.139   46.54 -207.96     -432.403321
107
    6.062   1.934   1.212   1.033   33.35 -215.39     -432.725490
108
    6.827   2.184   1.115   1.186   17.76 -202.73     -432.176595
109
    7.572   2.279   1.198   1.096    6.80 -235.60     -433.601868
110
 
111
 
112
# Iteration     8
113
    0.000   1.256   2.411   1.155  180.00    0.00     -423.385169
114
    1.503   1.240   2.273   1.139  145.56  -12.42     -423.923676
115
    2.256   1.210   2.021   1.104  121.65  -41.06     -425.165641
116
    3.002   1.179   1.754   1.103  100.43  -85.56     -427.095637
117
    3.753   1.192   1.488   1.145   79.04 -143.76     -429.619192
118
    4.499   1.466   1.325   1.196   58.65 -190.03     -431.625897
119
    5.258   1.768   1.295   1.135   47.01 -207.16     -432.368611
120
    6.006   1.966   1.236   1.060   33.86 -219.05     -432.883947
121
    6.760   2.210   1.134   1.210   18.78 -207.59     -432.387292
122
    7.497   2.298   1.226   1.096    8.77 -237.43     -433.681230
123
 
124
 
125
# Iteration     9
126
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
127
    1.539   1.249   2.290   1.158  144.20  -13.29     -423.961579
128
    2.294   1.219   2.032   1.108  121.64  -41.12     -425.168100
129
    3.063   1.186   1.757   1.108   99.89  -87.12     -427.163194
130
    3.825   1.200   1.485   1.138   78.78 -144.70     -429.660071
131
    4.581   1.476   1.317   1.205   57.80 -190.86     -431.661660
132
    5.344   1.769   1.295   1.128   46.94 -207.35     -432.376898
133
    6.113   1.976   1.272   1.022   34.47 -218.53     -432.861505
134
    6.878   2.246   1.156   1.234   19.37 -212.25     -432.589340
135
    7.632   2.305   1.241   1.091    9.46 -237.80     -433.697253
136
 
137
 
138
# Iteration    10
139
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
140
    1.496   1.240   2.271   1.136  145.68  -12.33     -423.919947
141
    2.237   1.225   2.033   1.116  120.47  -43.05     -425.251874
142
    2.980   1.195   1.766   1.115   99.72  -87.69     -427.187777
143
    3.733   1.197   1.493   1.132   79.66 -142.22     -429.552343
144
    4.468   1.463   1.328   1.195   58.91 -189.75     -431.613663
145
    5.224   1.774   1.296   1.153   46.84 -207.00     -432.361574
146
    5.961   1.974   1.271   1.051   35.32 -219.37     -432.898059
147
    6.714   2.239   1.193   1.190   19.99 -223.47     -433.075723
148
    7.446   2.310   1.244   1.091    9.07 -237.98     -433.705226
149
 
150
 
151
# Iteration    11
152
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
153
    1.516   1.246   2.288   1.154  144.85  -12.85     -423.942554
154
    2.269   1.218   2.033   1.108  121.75  -40.93     -425.160107
155
    3.019   1.203   1.772   1.123   99.18  -89.07     -427.247531
156
    3.762   1.200   1.500   1.136   79.85 -141.99     -429.542323
157
    4.518   1.460   1.322   1.199   58.61 -189.83     -431.616968
158
    5.273   1.762   1.296   1.138   47.32 -206.76     -432.351398
159
    6.018   2.003   1.268   1.085   34.51 -220.98     -432.967671
160
    6.771   2.235   1.214   1.152   19.63 -229.02     -433.316669
161
    7.519   2.325   1.251   1.089    6.95 -238.62     -433.732995
162
 
163
 
164
# Iteration    12
165
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
166
    1.505   1.237   2.267   1.135  145.77  -12.26     -423.916977
167
    2.262   1.224   2.025   1.117  119.74  -44.31     -425.306473
168
    3.018   1.210   1.761   1.131   97.54  -93.27     -427.429610
169
    3.769   1.214   1.487   1.136   78.45 -146.10     -429.720886
170
    4.518   1.491   1.324   1.194   57.82 -191.45     -431.687509
171
    5.262   1.775   1.295   1.120   46.69 -207.78     -432.395269
172
    6.018   2.020   1.267   1.072   33.21 -222.07     -433.015301
173
    6.767   2.238   1.233   1.114   18.46 -232.75     -433.478066
174
    7.516   2.338   1.256   1.089    4.79 -239.02     -433.750343
175
 
176
 
177
# Iteration    13
178
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
179
    1.550   1.243   2.278   1.149  144.39  -13.28     -423.961224
180
    2.308   1.221   2.023   1.106  120.62  -42.80     -425.241381
181
    3.078   1.220   1.762   1.140   96.60  -95.60     -427.530686
182
    3.846   1.206   1.477   1.141   77.98 -147.02     -429.760812
183
    4.621   1.503   1.319   1.196   57.14 -192.27     -431.722958
184
    5.382   1.792   1.294   1.118   45.90 -208.75     -432.437490
185
    6.156   2.044   1.266   1.077   31.97 -223.32     -433.069195
186
    6.931   2.244   1.258   1.075   17.20 -234.37     -433.548292
187
    7.689   2.348   1.259   1.091    2.57 -239.25     -433.760197
188
 
189
 
190
# Iteration    14
191
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
192
    1.557   1.236   2.257   1.132  144.79  -13.03     -423.950095
193
    2.320   1.217   2.010   1.116  118.95  -45.72     -425.368002
194
    3.091   1.229   1.752   1.147   94.87 -100.02     -427.722504
195
    3.871   1.209   1.462   1.152   76.50 -150.96     -429.931414
196
    4.644   1.521   1.320   1.183   56.81 -193.15     -431.761117
197
    5.415   1.813   1.291   1.112   44.86 -210.00     -432.491735
198
    6.193   2.067   1.265   1.079   30.67 -224.53     -433.121788
199
    6.967   2.251   1.249   1.078   15.79 -235.10     -433.580162
200
    7.726   2.348   1.256   1.092    1.22 -239.40     -433.766453
201
 
202
 
203
# Iteration    15
204
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
205
    1.584   1.245   2.270   1.142  143.93  -13.68     -423.978576
206
    2.364   1.207   2.005   1.109  119.84  -44.18     -425.300936
207
    3.147   1.244   1.753   1.155   93.83 -102.47     -427.828931
208
    3.930   1.199   1.459   1.161   76.36 -150.89     -429.928455
209
    4.712   1.516   1.321   1.183   57.03 -192.84     -431.747616
210
    5.503   1.815   1.289   1.110   44.68 -210.18     -432.499600
211
    6.286   2.072   1.265   1.079   30.38 -224.79     -433.133107
212
    7.076   2.261   1.251   1.081   15.22 -235.46     -433.595670
213
    7.852   2.342   1.250   1.093    0.28 -239.49     -433.770356
214
 
215
 
216
# Iteration    16
217
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
218
    1.568   1.234   2.255   1.131  144.87  -12.96     -423.947194
219
    2.351   1.207   1.997   1.110  118.98  -45.69     -425.366580
220
    3.141   1.226   1.734   1.147   93.82 -102.99     -427.851065
221
    3.919   1.214   1.450   1.174   74.79 -155.52     -430.129061
222
    4.707   1.533   1.310   1.191   55.82 -194.02     -431.798599
223
    5.489   1.823   1.289   1.108   44.32 -210.65     -432.519876
224
    6.268   2.076   1.264   1.078   30.05 -225.06     -433.144569
225
    7.049   2.262   1.250   1.080   15.04 -235.53     -433.598990
226
    7.829   2.341   1.249   1.092    0.01 -239.49     -433.770482
227
 
228
 
229
# Iteration    17
230
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
231
    1.582   1.242   2.266   1.140  144.02  -13.63     -423.976372
232
    2.361   1.205   2.001   1.106  119.92  -44.02     -425.294102
233
    3.150   1.215   1.732   1.126   95.32  -99.32     -427.692109
234
    3.930   1.198   1.449   1.176   75.26 -153.62     -430.046918
235
    4.726   1.525   1.321   1.182   56.69 -193.39     -431.771209
236
    5.509   1.822   1.287   1.112   44.31 -210.55     -432.515668
237
    6.297   2.077   1.264   1.078   30.03 -225.08     -433.145691
238
    7.085   2.262   1.250   1.080   14.88 -235.61     -433.602218
239
    7.857   2.341   1.249   1.092    0.00 -239.49     -433.770482
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241
 
242
# Iteration    18
243
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
244
    1.577   1.252   2.283   1.151  143.70  -13.76     -423.981942
245
    2.365   1.213   2.014   1.113  119.94  -44.00     -425.293000
246
    3.157   1.206   1.735   1.112   96.80  -95.40     -427.522198
247
    3.945   1.199   1.452   1.166   75.75 -152.43     -429.995364
248
    4.741   1.524   1.315   1.191   56.36 -193.46     -431.774389
249
    5.523   1.815   1.290   1.108   44.70 -210.20     -432.500165
250
    6.310   2.073   1.264   1.078   30.27 -224.87     -433.136561
251
    7.105   2.262   1.250   1.080   15.01 -235.55     -433.599638
252
    7.883   2.341   1.249   1.092    0.00 -239.49     -433.770482
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254
 
255
# Iteration    19
256
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
257
    1.572   1.242   2.264   1.138  144.07  -13.59     -423.974656
258
    2.351   1.220   2.009   1.119  118.33  -46.81     -425.415022
259
    3.128   1.213   1.735   1.123   95.86  -97.89     -427.630226
260
    3.911   1.202   1.450   1.157   75.84 -152.25     -429.987373
261
    4.696   1.529   1.321   1.181   56.62 -193.55     -431.778305
262
    5.475   1.823   1.285   1.114   44.18 -210.64     -432.519378
263
    6.264   2.077   1.264   1.078   29.96 -225.14     -433.148060
264
    7.049   2.263   1.250   1.080   14.85 -235.62     -433.602889
265
    7.820   2.341   1.249   1.092    0.00 -239.49     -433.770482
266
 
267
 
268
# Iteration    20
269
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
270
    1.576   1.237   2.257   1.134  144.41  -13.34     -423.963635
271
    2.355   1.212   2.000   1.111  118.80  -46.02     -425.380776
272
    3.144   1.222   1.731   1.134   94.54 -101.34     -427.779784
273
    3.926   1.204   1.445   1.165   75.15 -154.08     -430.066830
274
    4.720   1.533   1.313   1.191   55.95 -193.97     -431.796792
275
    5.490   1.817   1.291   1.106   44.65 -210.29     -432.504325
276
    6.288   2.078   1.264   1.078   29.94 -225.16     -433.149296
277
    7.067   2.262   1.250   1.079   14.97 -235.57     -433.600329
278
    7.843   2.341   1.249   1.092    0.00 -239.49     -433.770482
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280
 
281
# Iteration    21
282
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
283
    1.579   1.243   2.269   1.141  144.12  -13.55     -423.972554
284
    2.373   1.207   2.000   1.111  119.28  -45.16     -425.343297
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    3.163   1.234   1.739   1.143   93.91 -102.75     -427.840961
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    3.936   1.194   1.451   1.167   75.82 -152.00     -429.976562
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    4.722   1.518   1.323   1.180   57.10 -192.89     -431.749810
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    5.511   1.820   1.283   1.119   44.22 -210.43     -432.510331
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    6.302   2.074   1.264   1.078   30.17 -224.95     -433.140006
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    7.086   2.261   1.250   1.080   15.09 -235.51     -433.597771
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    7.869   2.341   1.249   1.092    0.00 -239.49     -433.770482
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# Iteration    22
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    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
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    1.573   1.236   2.256   1.134  144.48  -13.28     -423.961029
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    2.359   1.207   1.996   1.110  118.88  -45.87     -425.374215
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    3.139   1.222   1.730   1.130   94.62 -101.19     -427.773246
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    3.920   1.214   1.448   1.172   74.74 -155.65     -430.134958
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    4.692   1.530   1.315   1.188   56.21 -193.75     -431.786934
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    5.474   1.819   1.290   1.104   44.56 -210.40     -432.509039
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    6.266   2.079   1.263   1.079   29.88 -225.21     -433.151407
303
    7.045   2.262   1.250   1.079   14.93 -235.58     -433.601025
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    7.819   2.341   1.249   1.092    0.00 -239.49     -433.770482
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# Iteration    23
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    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
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    1.574   1.242   2.268   1.140  144.19  -13.49     -423.970353
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    2.364   1.207   2.001   1.111  119.37  -45.01     -425.336805
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    3.147   1.216   1.730   1.116   95.68  -98.44     -427.654064
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    3.930   1.199   1.448   1.173   75.24 -153.70     -430.050120
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    4.710   1.522   1.325   1.180   57.06 -193.05     -431.756541
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    5.499   1.822   1.283   1.115   44.15 -210.56     -432.516043
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    6.284   2.075   1.264   1.078   30.11 -225.00     -433.142238
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    7.067   2.261   1.250   1.080   15.06 -235.52     -433.598465
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    7.848   2.341   1.249   1.092    0.00 -239.49     -433.770482
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# Iteration    24
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    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
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    1.578   1.242   2.265   1.139  143.95  -13.69     -423.978774
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    2.353   1.206   2.005   1.116  119.40  -44.93     -425.333604
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    3.142   1.210   1.727   1.106   96.33  -96.70     -427.578514
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    3.922   1.204   1.449   1.165   75.39 -153.52     -430.042541
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    4.706   1.527   1.319   1.187   56.47 -193.54     -431.777969
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    5.498   1.821   1.290   1.105   44.44 -210.52     -432.514126
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    6.275   2.076   1.264   1.079   30.09 -225.03     -433.143461
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    7.066   2.262   1.250   1.079   14.90 -235.60     -433.601713
330
    7.839   2.341   1.249   1.092    0.00 -239.49     -433.770482
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# Iteration    25
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    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
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    1.574   1.246   2.259   1.127  144.27  -13.39     -423.965914
336
    2.349   1.206   2.002   1.117  119.03  -45.58     -425.361665
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    3.131   1.214   1.729   1.115   95.80  -98.12     -427.640168
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    3.912   1.207   1.447   1.155   75.47 -153.34     -430.034834
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    4.700   1.534   1.315   1.190   56.04 -193.98     -431.797193
340
    5.480   1.824   1.286   1.113   44.16 -210.70     -432.521986
341
    6.261   2.076   1.264   1.078   30.05 -225.05     -433.144561
342
    7.042   2.261   1.250   1.080   15.03 -235.54     -433.599118
343
    7.822   2.341   1.249   1.092    0.00 -239.49     -433.770482
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# Iteration    26
347
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
348
    1.576   1.243   2.264   1.137  144.02  -13.64     -423.976454
349
    2.343   1.208   2.007   1.115  119.50  -44.76     -425.326355
350
    3.123   1.222   1.739   1.123   95.65  -98.47     -427.655222
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    3.905   1.206   1.453   1.153   75.96 -152.12     -429.981651
352
    4.693   1.532   1.322   1.180   56.56 -193.71     -431.785143
353
    5.470   1.823   1.291   1.105   44.42 -210.60     -432.517522
354
    6.247   2.077   1.264   1.078   30.03 -225.08     -433.145776
355
    7.036   2.262   1.250   1.079   14.87 -235.61     -433.602345
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    7.807   2.341   1.249   1.092    0.00 -239.49     -433.770482
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359
# Iteration    27
360
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
361
    1.580   1.242   2.268   1.144  143.76  -13.83     -423.984867
362
    2.361   1.217   2.006   1.109  119.13  -45.42     -425.354771
363
    3.147   1.216   1.730   1.112   95.92  -97.83     -427.627698
364
    3.921   1.206   1.452   1.161   75.67 -152.92     -430.016643
365
    4.711   1.531   1.316   1.188   56.23 -193.78     -431.788367
366
    5.499   1.826   1.286   1.113   44.10 -210.78     -432.525581
367
    6.281   2.077   1.264   1.078   29.99 -225.11     -433.146846
368
    7.060   2.262   1.250   1.080   15.00 -235.55     -433.599762
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    7.838   2.341   1.249   1.092    0.00 -239.49     -433.770482
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# Iteration    28
373
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
374
    1.576   1.245   2.262   1.132  144.09  -13.55     -423.972891
375
    2.355   1.216   2.004   1.112  118.75  -46.09     -425.384025
376
    3.138   1.223   1.733   1.119   95.36  -99.30     -427.691291
377
    3.927   1.198   1.445   1.161   75.54 -152.73     -430.008410
378
    4.714   1.528   1.323   1.179   56.73 -193.48     -431.775490
379
    5.489   1.820   1.292   1.105   44.59 -210.41     -432.509412
380
    6.278   2.078   1.264   1.078   29.97 -225.14     -433.148061
381
    7.052   2.260   1.250   1.079   15.11 -235.49     -433.597195
382
    7.835   2.341   1.249   1.092    0.00 -239.49     -433.770482
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385
# Iteration    29
386
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
387
    1.580   1.242   2.266   1.142  143.84  -13.78     -423.982701
388
    2.364   1.213   2.007   1.124  118.35  -46.74     -425.412133
389
    3.150   1.231   1.735   1.125   94.79 -100.75     -427.754005
390
    3.924   1.202   1.451   1.161   75.74 -152.53     -429.999538
391
    4.715   1.527   1.318   1.188   56.41 -193.58     -431.779641
392
    5.501   1.823   1.287   1.114   44.26 -210.60     -432.517724
393
    6.280   2.074   1.264   1.078   30.20 -224.92     -433.138884
394
    7.072   2.262   1.250   1.080   14.97 -235.57     -433.600385
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# Iteration    30
399
    0.000   1.257   2.413   1.156  180.00    0.00     -423.385169
400
    1.573   1.241   2.261   1.135  144.16  -13.52     -423.971644
401
    2.348   1.209   2.002   1.111  119.27  -45.18     -425.344195
402
    3.131   1.223   1.733   1.116   95.48  -99.00     -427.678340
403
    3.909   1.210   1.450   1.156   75.56 -153.31     -430.033166
404
    4.683   1.532   1.322   1.178   56.61 -193.67     -431.783430
405
    5.468   1.826   1.291   1.104   44.28 -210.77     -432.525006
406
    6.242   2.079   1.264   1.078   29.91 -225.19     -433.150330
407
    7.028   2.263   1.250   1.080   14.82 -235.64     -433.603620
408
    7.796   2.341   1.249   1.092    0.00 -239.49     -433.770482
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