* LIGAND DATABASE FILE (OPLS2005)
*
001     122   125    237    382     717
    1     0 S   NP   _N1_     1    28.67685   100.02585   -23.43260
    2     1 S   H    _HN1     2     1.02782   101.57976   -82.54355
    3     1 S   H    _H1_     3     1.02952    54.30125    21.76148
    4     1 S   H    _H2_     4     1.02837    57.80649   173.51514
    5     1 S   CT   _CA1     5     1.50107   146.20127    94.30888
    6     5 S   HC   _HA1     6     1.09597   105.16311   121.97280
    7     5 S   CO3  _C1_     7     1.53577   112.28902     2.04985
    8     7 S   O2Z  _O11     8     1.26325   115.09126   -49.46554
    9     7 S   O2Z  _O12     9     1.26206   114.77718   129.42282
   10     5 S   CT   _CB1    10     1.53028   107.41857  -120.52262
   11    10 S   HC   HB11    11     1.09829   108.78104   -53.72333
   12    10 S   HC   HB12    12     1.09810   110.65210    62.58755
   13    10 S   CT   _CG1    13     1.53097   112.87109  -174.98819
   14    13 S   HC   HG11    14     1.09609   110.51908   -70.53038
   15    13 S   HC   HG12    15     1.09678   109.96209    48.67789
   16    13 S   C    _CD1    16     1.51870   112.08876   168.57602
   17    16 S   O    _OE1    17     1.22787   123.25186     1.24835
   18    16 S   N    _N2_    18     1.38507   111.91721  -177.86723
   19    18 S   H    _HN2    19     1.01630   119.26393    -0.22381
   20    18 S   CT1  _CA2    20     1.45807   122.61326   173.50979
   21    20 S   HC   _HA2    21     1.09724   108.91936    28.27067
   22    20 S   C    _C2_    22     1.53000   106.80526   -88.72635
   23    22 S   O    _O2_    23     1.22987   123.10431   -27.14868
   24    20 S   CT   _CB2    32     1.52947   112.41384   151.86666
   25    24 S   HC   HB21    33     1.09454   110.11659    53.21054
   26    24 S   HC   HB22    34     1.09547   110.34901   171.96061
   27    22 S   N    _N3_    24     1.38516   112.51946   155.46130
   28    27 S   H    _HN3    25     1.01646   120.34821    -1.89950
   29    24 S   S    _SG2    35     1.82467   111.35334   -68.33721
   30    27 S   CT   _CA3    26     1.45332   122.48213   178.51141
   31    30 S   HC   HA31    27     1.09567   107.74558   -57.01020
   32    30 S   HC   HA32    28     1.09562   107.67281    59.31914
   33    29 S   CT   _C9_    36     1.85134    98.88505   172.77871
   34    33 S   HC   _H3_    37     1.09366   105.59839    27.77172
   35    30 S   CO3  _C3_    29     1.52884   114.32540  -178.89323
   36    35 S   O2Z  _O31    30     1.26340   116.08381    -1.00386
   37    35 S   O2Z  _O32    31     1.26442   114.40385   179.01842
   38    33 S   CM   _C10    38     1.51559   107.24274   -89.66044
   39    38 S   HC   _H18    39     1.08768   115.10224   -64.16834
   40    33 S   CT   _C6_   107     1.56517   112.30862   144.91037
   41    38 S   CMA  _C11    40     1.35581   126.12308   116.44822
   42    41 S   OM   _O41    41     1.26459   129.53515    -0.34943
   43    40 S   CT   _C7_   108     1.54145   111.55122  -177.04740
   44    43 S   HC   _H12   109     1.09440   111.75882    50.35338
   45    43 S   HC   _H13   110     1.09520   111.76005   -70.09767
   46    43 S   HC   _H14   111     1.09607   110.77680   169.10135
   47    40 S   CT   _C8_   112     1.54248   113.49938    61.55919
   48    47 S   HC   _H15   113     1.09472   111.87176   -60.85476
   49    47 S   HC   _H16   114     1.09399   112.48735    61.83515
   50    47 S   HC   _H17   115     1.09720   110.28284  -177.98190
   51    40 S   OS   _O34   116     1.46499   110.91687   -55.09062
   52    41 S   CT   _C12    42     1.57954   117.67062   177.98423
   53    51 S   CO4  _C5_   117     1.36024   122.54249   -62.46796
   54    53 S   O    _O33   118     1.22206   127.16089    -1.28877
   55    52 S   CT   _C14    43     1.57661   111.98695    62.93742
   56    55 S   HC   _H4_    44     1.09611   105.08888   -53.09026
   57    52 S   CT   _C13   101     1.54093   108.16720   -61.62275
   58    57 S   HC   _H19   102     1.09375   111.73579  -162.04826
   59    57 S   HC   _H20   103     1.09460   112.36095    75.29748
   60    57 S   HC   _H21   104     1.09756   110.81377   -45.43930
   61    52 S   OH   _O40   105     1.44143   110.95106  -175.85008
   62    61 S   HO   _H48   106     0.97418   106.57559     4.72298
   63    53 S   CT   _C4_   119     1.49896   109.17004   178.59347
   64    63 S   HC   _H9_   120     1.09296   109.80694   -61.40312
   65    63 S   HC   _H10   121     1.09381   109.37601   179.56210
   66    63 S   HC   _H11   122     1.09292   109.85477    60.53221
   67    55 S   CT   _C15    45     1.56754   112.50567    65.22818
   68    67 S   HC   _H5_    46     1.09517   112.06328    31.50026
   69    67 S   CT   _C16    47     1.54822   107.49351   151.82320
   70    69 S   HC   _H22    48     1.09596   112.30523   133.23594
   71    69 S   HC   _H23    49     1.09618   109.57685  -108.02494
   72    67 S   OH   _O39    99     1.42251   110.63254   -88.66620
   73    72 S   HO   _H47   100     0.97269   106.73483   170.44293
   74    69 S   CT   _C17    50     1.54611   104.76924    10.62234
   75    74 S   CT   _C22    51     1.56568   115.11207  -154.12914
   76    75 S   HC   _H6_    52     1.09631   103.97345    48.70628
   77    55 S   CT   _C18    85     1.56913   121.66348  -174.18385
   78    74 S   CT   _C35    95     1.56112   105.27176    82.65901
   79    78 S   HC   _H44    96     1.08725   113.62135  -168.17260
   80    78 S   HC   _H45    97     1.09317   111.06686    69.69135
   81    78 S   HC   _H46    98     1.09363   113.46382   -47.39972
   82    75 S   CT   _C23    53     1.54006   115.34386   -63.15950
   83    82 S   HC   _H26    54     1.09756   109.47092   148.62368
   84    82 S   HC   _H27    55     1.09598   109.82027    33.17464
   85    77 S   CT   _C34    86     1.56149   109.82621   -47.41533
   86    85 S   HC   _H41    87     1.09355   112.99472   -50.50766
   87    85 S   HC   _H42    88     1.09148   113.31541  -171.93311
   88    85 S   HC   _H43    89     1.09448   110.96787    70.29261
   89    82 S   CM   _C24    56     1.49434   115.30275   -90.15689
   90    89 S   HC   _H28    57     1.08570   113.54116   160.60038
   91    89 S   CM   _C25    58     1.34622   125.64509   -14.76048
   92    91 S   CT   _C26    59     1.53247   120.61179    -5.15989
   93    92 S   HC   _H7_    60     1.09556   106.72947   114.38568
   94    92 S   CT   _C27    61     1.54791   108.97604  -132.58423
   95    94 S   HC   _H29    62     1.09825   110.72883    64.43838
   96    94 S   HC   _H30    63     1.09609   110.83362  -177.99162
   97    75 S   CT   _C21    79     1.57818   114.66140   166.63447
   98    94 S   CT   _C28    64     1.51973   112.41438   -56.51227
   99    98 S   HC   _H8_    65     1.09393   111.63936   -62.47069
  100    97 S   CO4  _C20    80     1.55705   111.48141   -37.50825
  101   100 S   O    _O35    81     1.23526   121.37785  -150.55306
  102    97 S   CT   _C33    90     1.56649   108.28028  -155.76825
  103   102 S   HC   _H38    91     1.09501   110.91341   -68.51639
  104   102 S   HC   _H39    92     1.09450   112.02795   170.86933
  105    98 S   CO4  _C29    66     1.51934   108.57031    58.59348
  106   105 S   O    _O36    67     1.23249   120.67503   127.29477
  107    98 S   OH   _O37    77     1.41786   108.47736   178.68731
  108   107 S   HO   _H37    78     0.97295   107.32145  -176.27953
  109   100 S   CT   _C19    82     1.52746   119.67968    34.57905
  110   109 S   HC   _H24    83     1.09304   108.88011    76.87015
  111   109 S   HC   _H25    84     1.09362   106.75412  -168.76551
  112   102 S   OH   _O38    93     1.42413   111.93450    51.61035
  113   112 S   HO   _H40    94     0.97245   107.08674   179.10869
  114    91 S   CT   _C30    68     1.54356   122.22823   170.95734
  115   114 S   CT   _C31    69     1.54645   114.40103    16.91571
  116   115 S   HC   _H31    70     1.09706   111.30527   175.95189
  117   115 S   HC   _H32    71     1.09649   111.37441    56.63409
  118   115 S   HC   _H33    72     1.09528   112.00038   -64.98496
  119   114 S   CT   _C32    73     1.54057   110.00478  -103.88550
  120   119 S   HC   _H34    74     1.09655   110.96487  -177.80759
  121   119 S   HC   _H35    75     1.09552   111.11656    62.16194
  122   119 S   HC   _H36    76     1.09462   112.78517   -58.27173
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  11   4  13  12   4   9   4   3   2   5   3
   2   1   6  16   5   4  26  10   7   3   2   1   3   1   3   2
   1   1  12   7  16   6   5   3   1  22  24  10  15   7   2   1
   1  10   5   4   7   3   2   1  10   3  20  19   8  12   6   5
  12   8   5   8   4   5   3   2  12   4   2   1   2   1   1   1
   1   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    52    40    43    44    45    46    47    48    49    50    51    53  
   38    39    41    40    43    47    51  
   36    37  
   37  
    0  
   39    41    42    52    55    57    61    40    43    47    51  
   41    42    52    40  
   43    44    45    46    47    48    49    50    51    53    54    63    41  
   42    52    55    56    67    77    57    58    59    60    61    62  
   52    55    57    61  
   44    45    46    47    48    49    50    51    53  
   45    46    47    51  
   46    47    51  
   47    51  
   48    49    50    51    53  
   49    50    51  
   50    51  
   51  
   53    54    63    64    65    66  
   55    56    67    68    69    74   109    77    85    72    57    58    59    60    61    62  
   54    63    64    65    66  
   63    64    65    66  
   56    67    68    69    70    71    74    75   100   109   110   111    77    85    86    87    88    78    72    73    57    58    59    60    61    62  
   67    68    69    74   109    77    85    72    57    61  
   58    59    60    61    62    67    77  
   59    60    61  
   60    61  
   61  
   62    67    77  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    74    75   109    77    85    78    72    73  
   69    70    71    74    77    72    73  
   70    71    74    75    76    82    97   109    77    85    78    79    80    81    72    73  
   71    74    75    77    78    72  
   74    75    77    78    72  
   73    74    77  
    0  
   75    76    82    83    84    89    92    97   100   109   110   111    77    85    86    87    88   102    78    79    80    81  
   76    82    83    84    89    90    91    92    93    94    97   100   101   109    77    85   102   103   104   112    78    79    80    81  
   82    83    84    89    92    97   100    77   102    78  
   85    86    87    88    78    79    80    81    82    97   100   101   109   110   111  
   79    80    81    82    85    97   109  
   80    81  
   81  
    0  
   83    84    89    90    91    92   114    97   100   102  
   84    89    90    91    97  
   89    90    91    97  
   86    87    88   100   109   110   111  
   87    88   109  
   88   109  
  109  
   90    91    92    93    94   105   114   115   119    97  
   91    92   114  
   92    93    94    95    96    98   105   106   114   115   116   117   118   119   120   121   122    97   100   102  
   93    94    95    96    98    99   105   114   115   119   107    97   100   101   109   102   103   104   112  
   94    95    96    98   114    97   100   102  
   95    96    98    99   105   106   114   107   108    97   100   102  
   96    98    99   105   107    97  
   98    99   105   107    97  
  100   101   109   110   111   102   103   104   112   113    98   114  
   99   105   106   114   115   119   107   108  
  105   106   114   107   108  
  101   109   110   111   102   103   104   112  
  109   110   111   102  
  103   104   112   113   109  
  104   112   113  
  112   113  
  106   114   115   116   117   118   119   120   121   122   107   108  
  114   115   119   107  
  108   114  
    0  
  110   111  
  111  
    0  
  113  
    0  
  115   116   117   118   119   120   121   122  
  116   117   118   119   120   121   122  
  117   118   119  
  118   119  
  119  
  120   121   122  
  121   122  
  122  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   98   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  113   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  114   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  120   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  121   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    52   270.000  1.512
   52    55   268.000  1.529
   52    57   268.000  1.529
   52    61   320.000  1.410
   55    56   340.000  1.090
   55    67   268.000  1.529
   55    77   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    78   268.000  1.529
   75    76   340.000  1.090
   75    82   268.000  1.529
   75    97   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   317.000  1.510
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   317.000  1.510
   91   114   317.000  1.510
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   268.000  1.529
   98    99   340.000  1.090
   98   105   317.000  1.522
   98   107   320.000  1.410
  105   106   570.000  1.229
  105   114   317.000  1.522
  114   115   268.000  1.529
  114   119   268.000  1.529
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  119   120   340.000  1.090
  119   121   340.000  1.090
  119   122   340.000  1.090
  107   108   553.000  0.945
   97   100   317.000  1.522
   97   102   268.000  1.529
  100   101   570.000  1.229
  100   109   317.000  1.522
  109   110   340.000  1.090
  109   111   340.000  1.090
  109    77   268.000  1.529
   77    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   112   320.000  1.410
  112   113   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    73   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   40    43   268.000  1.529
   40    47   268.000  1.529
   40    51   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   33    40    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    52    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    52    55    70.00000  112.02700
   41    52    57    70.00000  112.02700
   41    52    61    90.00000  110.39200
   52    41    42    85.00000  112.85300
   52    55    56    37.50000  110.70000
   52    55    67    58.35000  112.70000
   52    55    77    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    55.00000  108.50000
   55    67    68    37.50000  110.70000
   55    67    69    58.35000  112.70000
   55    67    72    50.00000  109.50000
   55    77    74    58.35000  112.70000
   55    77   109    58.35000  112.70000
   55    77    85    58.35000  112.70000
   67    55    56    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    74    58.35000  112.70000
   67    72    73    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    74    75    58.35000  112.70000
   69    74    77    58.35000  112.70000
   69    74    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    82    58.35000  112.70000
   74    75    97    58.35000  112.70000
   74    77   109    58.35000  112.70000
   74    77    85    58.35000  112.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    89    70.00000  112.02700
   75    97    92    58.35000  112.70000
   75    97   100    63.00000  111.10000
   75    97   102    58.35000  112.70000
   82    75    76    37.50000  110.70000
   82    89    90    35.00000  117.00000
   82    89    91    70.00000  124.00000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   89    91    92    70.00000  124.00000
   89    91   114    70.00000  124.00000
   91    89    90    35.00000  120.00000
   91    92    93    35.00000  109.50000
   91    92    94    70.00000  112.02700
   91    92    97    70.00000  112.02700
   91   114   105    70.00000  109.06800
   91   114   115    70.00000  112.02700
   91   114   119    70.00000  112.02700
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    98    58.35000  112.70000
   92    97   100    63.00000  111.10000
   92    97   102    58.35000  112.70000
   94    92    93    37.50000  110.70000
   94    98    99    37.50000  110.70000
   94    98   105    63.00000  111.10000
   94    98   107    50.00000  109.50000
   96    94    95    33.00000  107.80000
   98    94    95    37.50000  110.70000
   98    94    96    37.50000  110.70000
   98   105   106    80.00000  120.40000
   98   105   114    70.00000  116.00000
   98   107   108    55.00000  108.50000
  105    98    99    35.00000  109.50000
  105   114   115    63.00000  111.10000
  105   114   119    63.00000  111.10000
  114    91    92    65.00000  117.92700
  114   105   106    80.00000  120.40000
  114   115   116    37.50000  110.70000
  114   115   117    37.50000  110.70000
  114   115   118    37.50000  110.70000
  114   119   120    37.50000  110.70000
  114   119   121    37.50000  110.70000
  114   119   122    37.50000  110.70000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  119   114   115    58.35000  112.70000
  121   119   120    33.00000  107.80000
  122   119   120    33.00000  107.80000
  122   119   121    33.00000  107.80000
  107    98    99    35.00000  109.50000
  107    98   105    90.00000  109.61100
   97    75    76    37.50000  110.70000
   97    75    82    58.35000  112.70000
   97    92    93    37.50000  110.70000
   97    92    94    58.35000  112.70000
   97   100   101    80.00000  120.40000
   97   100   109    70.00000  116.00000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   112    50.00000  109.50000
  100   109   110    35.00000  109.50000
  100   109   111    35.00000  109.50000
  100   109    77    63.00000  111.10000
  109   100   101    80.00000  120.40000
  109    77    85    58.35000  112.70000
  111   109   110    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    67    58.35000  112.70000
   77    74    75    58.35000  112.70000
   77   109   110    37.50000  110.70000
   77   109   111    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
  102    97   100    63.00000  111.10000
  102   112   113    55.00000  108.50000
  104   102   103    33.00000  107.80000
  112   102   103    35.00000  109.50000
  112   102   104    35.00000  109.50000
   78    74    75    58.35000  112.70000
   78    74    77    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   57    52    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    55    50.00000  109.50000
   61    52    57    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   40    51    53    83.00000  116.90000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    40    43    50.00000  109.50000
   51    40    47    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    63    81.00000  111.40000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   63    53    54    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   29    33    40    51   0.56750  1.0 1.0
   29    33    40    51  -0.07550 -1.0 2.0
   29    33    40    51   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    52   7.00000 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   0.15000  1.0 3.0
   33    40    51    53  -0.25900  1.0 1.0
   33    40    51    53  -0.47000 -1.0 2.0
   33    40    51    53   0.11750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   34    33    40    51   0.23400  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    33    40    51   0.61850  1.0 1.0
   38    33    40    51  -0.22750 -1.0 2.0
   38    33    40    51   0.15300  1.0 3.0
   38    41    52    55   0.09850  1.0 1.0
   38    41    52    55   0.15250 -1.0 2.0
   38    41    52    55  -0.50650  1.0 3.0
   38    41    52    57   0.09850  1.0 1.0
   38    41    52    57   0.15250 -1.0 2.0
   38    41    52    57  -0.50650  1.0 3.0
   38    41    52    61   0.67800  1.0 1.0
   38    41    52    61   0.47050 -1.0 2.0
   38    41    52    61  -0.62500  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    52   7.00000 -1.0 2.0
   41    52    55    56   0.15000  1.0 3.0
   41    52    55    67   0.34400  1.0 1.0
   41    52    55    67   0.09450 -1.0 2.0
   41    52    55    67   0.11100  1.0 3.0
   41    52    55    77   0.34400  1.0 1.0
   41    52    55    77   0.09450 -1.0 2.0
   41    52    55    77   0.11100  1.0 3.0
   41    52    57    58   0.15000  1.0 3.0
   41    52    57    59   0.15000  1.0 3.0
   41    52    57    60   0.15000  1.0 3.0
   41    52    61    62  -0.07800  1.0 1.0
   41    52    61    62  -0.21500 -1.0 2.0
   41    52    61    62  -0.03150  1.0 3.0
   42    41    52    55   0.09700  1.0 1.0
   42    41    52    55   0.15600 -1.0 2.0
   42    41    52    55  -0.50800  1.0 3.0
   42    41    52    57   0.09700  1.0 1.0
   42    41    52    57   0.15600 -1.0 2.0
   42    41    52    57  -0.50800  1.0 3.0
   42    41    52    61   0.09700  1.0 1.0
   42    41    52    61   0.15600 -1.0 2.0
   42    41    52    61  -0.50800  1.0 3.0
   52    55    67    68   0.15000  1.0 3.0
   52    55    67    69   0.56750  1.0 1.0
   52    55    67    69  -0.07550 -1.0 2.0
   52    55    67    69   0.20000  1.0 3.0
   52    55    67    72   0.86500  1.0 1.0
   52    55    67    72  -0.17500 -1.0 2.0
   52    55    67    72   0.20800  1.0 3.0
   52    55    77    74   0.56750  1.0 1.0
   52    55    77    74  -0.07550 -1.0 2.0
   52    55    77    74   0.20000  1.0 3.0
   52    55    77   109   0.56750  1.0 1.0
   52    55    77   109  -0.07550 -1.0 2.0
   52    55    77   109   0.20000  1.0 3.0
   52    55    77    85   0.56750  1.0 1.0
   52    55    77    85  -0.07550 -1.0 2.0
   52    55    77    85   0.20000  1.0 3.0
   55    52    57    58   0.15000  1.0 3.0
   55    52    57    59   0.15000  1.0 3.0
   55    52    57    60   0.15000  1.0 3.0
   55    52    61    62  -0.11600  1.0 1.0
   55    52    61    62  -0.09450 -1.0 2.0
   55    52    61    62   0.21250  1.0 3.0
   55    67    69    70   0.15000  1.0 3.0
   55    67    69    71   0.15000  1.0 3.0
   55    67   -69    74   0.56750  1.0 1.0
   55    67   -69    74  -0.07550 -1.0 2.0
   55    67   -69    74   0.20000  1.0 3.0
   55    67    72    73  -0.11600  1.0 1.0
   55    67    72    73  -0.09450 -1.0 2.0
   55    67    72    73   0.21250  1.0 3.0
   55    77    85    86   0.15000  1.0 3.0
   55    77    85    87   0.15000  1.0 3.0
   55    77    85    88   0.15000  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    72   0.23400  1.0 3.0
   56    55    77    74   0.15000  1.0 3.0
   56    55    77   109   0.15000  1.0 3.0
   56    55    77    85   0.15000  1.0 3.0
   67    55   -77    74   0.56750  1.0 1.0
   67    55   -77    74  -0.07550 -1.0 2.0
   67    55   -77    74   0.20000  1.0 3.0
   67    55    77   109   0.56750  1.0 1.0
   67    55    77   109  -0.07550 -1.0 2.0
   67    55    77   109   0.20000  1.0 3.0
   67    55    77    85   0.56750  1.0 1.0
   67    55    77    85  -0.07550 -1.0 2.0
   67    55    77    85   0.20000  1.0 3.0
   67    69    74    75   0.56750  1.0 1.0
   67    69    74    75  -0.07550 -1.0 2.0
   67    69    74    75   0.20000  1.0 3.0
   67    69   -74    77   0.56750  1.0 1.0
   67    69   -74    77  -0.07550 -1.0 2.0
   67    69   -74    77   0.20000  1.0 3.0
   67    69    74    78   0.56750  1.0 1.0
   67    69    74    78  -0.07550 -1.0 2.0
   67    69    74    78   0.20000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    74   0.15000  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73  -0.11600  1.0 1.0
   69    67    72    73  -0.09450 -1.0 2.0
   69    67    72    73   0.21250  1.0 3.0
   69    74    75    76   0.15000  1.0 3.0
   69    74    75    82   0.56750  1.0 1.0
   69    74    75    82  -0.07550 -1.0 2.0
   69    74    75    82   0.20000  1.0 3.0
   69    74    75    97   0.56750  1.0 1.0
   69    74    75    97  -0.07550 -1.0 2.0
   69    74    75    97   0.20000  1.0 3.0
   69    74   -77    55   0.56750  1.0 1.0
   69    74   -77    55  -0.07550 -1.0 2.0
   69    74   -77    55   0.20000  1.0 3.0
   69    74    77   109   0.56750  1.0 1.0
   69    74    77   109  -0.07550 -1.0 2.0
   69    74    77   109   0.20000  1.0 3.0
   69    74    77    85   0.56750  1.0 1.0
   69    74    77    85  -0.07550 -1.0 2.0
   69    74    77    85   0.20000  1.0 3.0
   69    74    78    79   0.15000  1.0 3.0
   69    74    78    80   0.15000  1.0 3.0
   69    74    78    81   0.15000  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   70    69    74    78   0.15000  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    77   0.15000  1.0 3.0
   71    69    74    78   0.15000  1.0 3.0
   74    75    82    83   0.15000  1.0 3.0
   74    75    82    84   0.15000  1.0 3.0
   74    75    82    89   0.34400  1.0 1.0
   74    75    82    89   0.09450 -1.0 2.0
   74    75    82    89   0.11100  1.0 3.0
   74    75    97    92   0.56750  1.0 1.0
   74    75    97    92  -0.07550 -1.0 2.0
   74    75    97    92   0.20000  1.0 3.0
   74    75    97   100  -0.95700  1.0 1.0
   74    75    97   100  -0.18200 -1.0 2.0
   74    75    97   100   0.29450  1.0 3.0
   74    75    97   102   0.56750  1.0 1.0
   74    75    97   102  -0.07550 -1.0 2.0
   74    75    97   102   0.20000  1.0 3.0
   74    77    85    86   0.15000  1.0 3.0
   74    77    85    87   0.15000  1.0 3.0
   74    77    85    88   0.15000  1.0 3.0
   75    74    77    55   0.56750  1.0 1.0
   75    74    77    55  -0.07550 -1.0 2.0
   75    74    77    55   0.20000  1.0 3.0
   75    74    77   109   0.56750  1.0 1.0
   75    74    77   109  -0.07550 -1.0 2.0
   75    74    77   109   0.20000  1.0 3.0
   75    74    77    85   0.56750  1.0 1.0
   75    74    77    85  -0.07550 -1.0 2.0
   75    74    77    85   0.20000  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    81   0.15000  1.0 3.0
   75    82    89    90   0.00000  1.0 1.0
   75    82    89    91   0.09850  1.0 1.0
   75    82    89    91   0.15250 -1.0 2.0
   75    82    89    91  -0.50650  1.0 3.0
   75    97   100   101   0.30150 -1.0 2.0
   75    97  -100   109   0.60050  1.0 1.0
   75    97  -100   109   0.05600 -1.0 2.0
   75    97  -100   109   0.26150  1.0 3.0
   75    97   102   103   0.15000  1.0 3.0
   75    97   102   104   0.15000  1.0 3.0
   75    97   102   112   0.86500  1.0 1.0
   75    97   102   112  -0.17500 -1.0 2.0
   75    97   102   112   0.20800  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    89   0.15000  1.0 3.0
   76    75    97    92   0.15000  1.0 3.0
   76    75    97   100  -0.11250  1.0 3.0
   76    75    97   102   0.15000  1.0 3.0
   82    75    97    92   0.56750  1.0 1.0
   82    75    97    92  -0.07550 -1.0 2.0
   82    75    97    92   0.20000  1.0 3.0
   82    75    97   100  -0.95700  1.0 1.0
   82    75    97   100  -0.18200 -1.0 2.0
   82    75    97   100   0.29450  1.0 3.0
   82    75    97   102   0.56750  1.0 1.0
   82    75    97   102  -0.07550 -1.0 2.0
   82    75    97   102   0.20000  1.0 3.0
   82    89   -91    92   7.00000 -1.0 2.0
   82    89    91   114   7.00000 -1.0 2.0
   83    82    89    90   0.33100  1.0 3.0
   83    82    89    91   0.00000  1.0 1.0
   84    82    89    90   0.33100  1.0 3.0
   84    82    89    91   0.00000  1.0 1.0
   89    91    92    93   0.00000  1.0 1.0
   89    91    92    94   0.09850  1.0 1.0
   89    91    92    94   0.15250 -1.0 2.0
   89    91    92    94  -0.50650  1.0 3.0
   89    91    92    97   0.09850  1.0 1.0
   89    91    92    97   0.15250 -1.0 2.0
   89    91    92    97  -0.50650  1.0 3.0
   89    91   114   105  -0.51250  1.0 1.0
   89    91   114   105  -0.88800 -1.0 2.0
   89    91   114   105   0.08850  1.0 3.0
   89    91   114   115   0.09850  1.0 1.0
   89    91   114   115   0.15250 -1.0 2.0
   89    91   114   115  -0.50650  1.0 3.0
   89    91   114   119   0.09850  1.0 1.0
   89    91   114   119   0.15250 -1.0 2.0
   89    91   114   119  -0.50650  1.0 3.0
   90    89    91    92   7.00000 -1.0 2.0
   90    89    91   114   7.00000 -1.0 2.0
   91    92    94    95   0.15000  1.0 3.0
   91    92    94    96   0.15000  1.0 3.0
   91    92    94    98   0.34400  1.0 1.0
   91    92    94    98   0.09450 -1.0 2.0
   91    92    94    98   0.11100  1.0 3.0
   91    92   -97    75   0.34400  1.0 1.0
   91    92   -97    75   0.09450 -1.0 2.0
   91    92   -97    75   0.11100  1.0 3.0
   91    92    97   100  -0.98800  1.0 1.0
   91    92    97   100   0.48800 -1.0 2.0
   91    92    97   100   0.76800  1.0 3.0
   91    92    97   102   0.34400  1.0 1.0
   91    92    97   102   0.09450 -1.0 2.0
   91    92    97   102   0.11100  1.0 3.0
   91   114   115   116   0.15000  1.0 3.0
   91   114   115   117   0.15000  1.0 3.0
   91   114   115   118   0.15000  1.0 3.0
   91   114   119   120   0.15000  1.0 3.0
   91   114   119   121   0.15000  1.0 3.0
   91   114   119   122   0.15000  1.0 3.0
   92    91   114   105   0.17250  1.0 1.0
   92    91   114   105  -0.04100 -1.0 2.0
   92    91   114   105  -0.33850  1.0 3.0
   92    91   114   115   0.46850  1.0 1.0
   92    91   114   115   0.08550 -1.0 2.0
   92    91   114   115   0.09800  1.0 3.0
   92    91   114   119   0.46850  1.0 1.0
   92    91   114   119   0.08550 -1.0 2.0
   92    91   114   119   0.09800  1.0 3.0
   92    94    98    99   0.15000  1.0 3.0
   92    94   -98   105  -0.95700  1.0 1.0
   92    94   -98   105  -0.18200 -1.0 2.0
   92    94   -98   105   0.29450  1.0 3.0
   92    94    98   107   0.86500  1.0 1.0
   92    94    98   107  -0.17500 -1.0 2.0
   92    94    98   107   0.20800  1.0 3.0
   92    97   100   101   0.30150 -1.0 2.0
   92    97   100   109   0.60050  1.0 1.0
   92    97   100   109   0.05600 -1.0 2.0
   92    97   100   109   0.26150  1.0 3.0
   92    97   102   103   0.15000  1.0 3.0
   92    97   102   104   0.15000  1.0 3.0
   92    97   102   112   0.86500  1.0 1.0
   92    97   102   112  -0.17500 -1.0 2.0
   92    97   102   112   0.20800  1.0 3.0
   93    92    94    95   0.15000  1.0 3.0
   93    92    94    96   0.15000  1.0 3.0
   93    92    94    98   0.15000  1.0 3.0
   93    92    97    75   0.15000  1.0 3.0
   93    92    97   100  -0.11250  1.0 3.0
   93    92    97   102   0.15000  1.0 3.0
   94    92    97    75   0.56750  1.0 1.0
   94    92    97    75  -0.07550 -1.0 2.0
   94    92    97    75   0.20000  1.0 3.0
   94    92    97   100  -0.95700  1.0 1.0
   94    92    97   100  -0.18200 -1.0 2.0
   94    92    97   100   0.29450  1.0 3.0
   94    92    97   102   0.56750  1.0 1.0
   94    92    97   102  -0.07550 -1.0 2.0
   94    92    97   102   0.20000  1.0 3.0
   94    98   105   106   0.30150 -1.0 2.0
   94    98   105   114   0.60050  1.0 1.0
   94    98   105   114   0.05600 -1.0 2.0
   94    98   105   114   0.26150  1.0 3.0
   94    98   107   108  -0.11600  1.0 1.0
   94    98   107   108  -0.09450 -1.0 2.0
   94    98   107   108   0.21250  1.0 3.0
   95    94    98    99   0.15000  1.0 3.0
   95    94    98   105  -0.11250  1.0 3.0
   95    94    98   107   0.23400  1.0 3.0
   96    94    98    99   0.15000  1.0 3.0
   96    94    98   105  -0.11250  1.0 3.0
   96    94    98   107   0.23400  1.0 3.0
   98   105  -114    91   0.65300  1.0 1.0
   98   105  -114    91  -0.03850 -1.0 2.0
   98   105  -114    91   0.33900  1.0 3.0
   98   105   114   115   0.60050  1.0 1.0
   98   105   114   115   0.05600 -1.0 2.0
   98   105   114   115   0.26150  1.0 3.0
   98   105   114   119   0.60050  1.0 1.0
   98   105   114   119   0.05600 -1.0 2.0
   98   105   114   119   0.26150  1.0 3.0
   99    98   105   106   0.00000  1.0 1.0
   99    98   105   114   0.00000  1.0 1.0
   99    98   107   108   0.19450  1.0 3.0
  105    98   107   108   0.91850  1.0 1.0
  105    98   107   108   0.57950  1.0 3.0
  105   114   115   116  -0.11250  1.0 3.0
  105   114   115   117  -0.11250  1.0 3.0
  105   114   115   118  -0.11250  1.0 3.0
  105   114   119   120  -0.11250  1.0 3.0
  105   114   119   121  -0.11250  1.0 3.0
  105   114   119   122  -0.11250  1.0 3.0
  106   105   114    91   0.30150 -1.0 2.0
  106   105   114   115   0.30150 -1.0 2.0
  106   105   114   119   0.30150 -1.0 2.0
  114    91    92    93   0.34800  1.0 3.0
  114    91   -92    94   0.46850  1.0 1.0
  114    91   -92    94   0.08550 -1.0 2.0
  114    91   -92    94   0.09800  1.0 3.0
  114    91    92    97   0.46850  1.0 1.0
  114    91    92    97   0.08550 -1.0 2.0
  114    91    92    97   0.09800  1.0 3.0
  115   114   119   120   0.15000  1.0 3.0
  115   114   119   121   0.15000  1.0 3.0
  115   114   119   122   0.15000  1.0 3.0
  119   114   115   116   0.15000  1.0 3.0
  119   114   115   117   0.15000  1.0 3.0
  119   114   115   118   0.15000  1.0 3.0
  107    98   105   106   0.30150 -1.0 2.0
  107    98   105   114   0.55300  1.0 1.0
  107    98   105   114   1.25850 -1.0 2.0
  107    98   105   114  -0.23600  1.0 3.0
   97    75    82    83   0.15000  1.0 3.0
   97    75    82    84   0.15000  1.0 3.0
   97    75   -82    89   0.34400  1.0 1.0
   97    75   -82    89   0.09450 -1.0 2.0
   97    75   -82    89   0.11100  1.0 3.0
   97    92    94    95   0.15000  1.0 3.0
   97    92    94    96   0.15000  1.0 3.0
   97    92    94    98   0.56750  1.0 1.0
   97    92    94    98  -0.07550 -1.0 2.0
   97    92    94    98   0.20000  1.0 3.0
   97   100   109   110   0.00000  1.0 1.0
   97   100   109   111   0.00000  1.0 1.0
   97   100   109    77   0.60050  1.0 1.0
   97   100   109    77   0.05600 -1.0 2.0
   97   100   109    77   0.26150  1.0 3.0
   97   102   112   113  -0.11600  1.0 1.0
   97   102   112   113  -0.09450 -1.0 2.0
   97   102   112   113   0.21250  1.0 3.0
  100    97   102   103  -0.11250  1.0 3.0
  100    97   102   104  -0.11250  1.0 3.0
  100    97   102   112  -0.09450  1.0 1.0
  100    97   102   112  -1.12950 -1.0 2.0
  100    97   102   112   0.54000  1.0 3.0
  100   109    77    55  -0.95700  1.0 1.0
  100   109    77    55  -0.18200 -1.0 2.0
  100   109    77    55   0.29450  1.0 3.0
  100   109   -77    74  -0.95700  1.0 1.0
  100   109   -77    74  -0.18200 -1.0 2.0
  100   109   -77    74   0.29450  1.0 3.0
  100   109    77    85  -0.95700  1.0 1.0
  100   109    77    85  -0.18200 -1.0 2.0
  100   109    77    85   0.29450  1.0 3.0
  101   100   109   110   0.00000  1.0 1.0
  101   100   109   111   0.00000  1.0 1.0
  101   100   109    77   0.30150 -1.0 2.0
  109    77    85    86   0.15000  1.0 3.0
  109    77    85    87   0.15000  1.0 3.0
  109    77    85    88   0.15000  1.0 3.0
  110   109    77    55   0.15000  1.0 3.0
  110   109    77    74   0.15000  1.0 3.0
  110   109    77    85   0.15000  1.0 3.0
  111   109    77    55   0.15000  1.0 3.0
  111   109    77    74   0.15000  1.0 3.0
  111   109    77    85   0.15000  1.0 3.0
   77    55    67    68   0.15000  1.0 3.0
   77    55   -67    69   0.56750  1.0 1.0
   77    55   -67    69  -0.07550 -1.0 2.0
   77    55   -67    69   0.20000  1.0 3.0
   77    55    67    72   0.86500  1.0 1.0
   77    55    67    72  -0.17500 -1.0 2.0
   77    55    67    72   0.20800  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    82   0.56750  1.0 1.0
   77    74    75    82  -0.07550 -1.0 2.0
   77    74    75    82   0.20000  1.0 3.0
   77    74   -75    97   0.56750  1.0 1.0
   77    74   -75    97  -0.07550 -1.0 2.0
   77    74   -75    97   0.20000  1.0 3.0
   77    74    78    79   0.15000  1.0 3.0
   77    74    78    80   0.15000  1.0 3.0
   77    74    78    81   0.15000  1.0 3.0
  102    97   100   101   0.30150 -1.0 2.0
  102    97   100   109   0.60050  1.0 1.0
  102    97   100   109   0.05600 -1.0 2.0
  102    97   100   109   0.26150  1.0 3.0
  103   102   112   113   0.19450  1.0 3.0
  104   102   112   113   0.19450  1.0 3.0
   78    74    75    76   0.15000  1.0 3.0
   78    74    75    82   0.56750  1.0 1.0
   78    74    75    82  -0.07550 -1.0 2.0
   78    74    75    82   0.20000  1.0 3.0
   78    74    75    97   0.56750  1.0 1.0
   78    74    75    97  -0.07550 -1.0 2.0
   78    74    75    97   0.20000  1.0 3.0
   78    74    77    55   0.56750  1.0 1.0
   78    74    77    55  -0.07550 -1.0 2.0
   78    74    77    55   0.20000  1.0 3.0
   78    74    77   109   0.56750  1.0 1.0
   78    74    77   109  -0.07550 -1.0 2.0
   78    74    77   109   0.20000  1.0 3.0
   78    74    77    85   0.56750  1.0 1.0
   78    74    77    85  -0.07550 -1.0 2.0
   78    74    77    85   0.20000  1.0 3.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    74   0.86500  1.0 1.0
   72    67    69    74  -0.17500 -1.0 2.0
   72    67    69    74   0.20800  1.0 3.0
   57    52    55    56   0.15000  1.0 3.0
   57    52    55    67   0.56750  1.0 1.0
   57    52    55    67  -0.07550 -1.0 2.0
   57    52    55    67   0.20000  1.0 3.0
   57    52    55    77   0.56750  1.0 1.0
   57    52    55    77  -0.07550 -1.0 2.0
   57    52    55    77   0.20000  1.0 3.0
   57    52    61    62  -0.11600  1.0 1.0
   57    52    61    62  -0.09450 -1.0 2.0
   57    52    61    62   0.21250  1.0 3.0
   61    52    55    56   0.23400  1.0 3.0
   61    52    55    67   0.86500  1.0 1.0
   61    52    55    67  -0.17500 -1.0 2.0
   61    52    55    67   0.20800  1.0 3.0
   61    52    55    77   0.86500  1.0 1.0
   61    52    55    77  -0.17500 -1.0 2.0
   61    52    55    77   0.20800  1.0 3.0
   61    52    57    58   0.23400  1.0 3.0
   61    52    57    59   0.23400  1.0 3.0
   61    52    57    60   0.23400  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    51    53    54   3.00000 -1.0 2.0
   40    51    53    63   1.63150  1.0 1.0
   40    51    53    63   2.92000 -1.0 2.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    50   0.15000  1.0 3.0
   43    40    51    53  -0.25900  1.0 1.0
   43    40    51    53  -0.47000 -1.0 2.0
   43    40    51    53   0.11750  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   47    40    51    53  -0.25900  1.0 1.0
   47    40    51    53  -0.47000 -1.0 2.0
   47    40    51    53   0.11750  1.0 3.0
   51    40    43    44   0.23400  1.0 3.0
   51    40    43    45   0.23400  1.0 3.0
   51    40    43    46   0.23400  1.0 3.0
   51    40    47    48   0.23400  1.0 3.0
   51    40    47    49   0.23400  1.0 3.0
   51    40    47    50   0.23400  1.0 3.0
   51    53    63    64   0.00000  1.0 1.0
   51    53    63    65   0.00000  1.0 1.0
   51    53    63    66   0.00000  1.0 1.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    65   0.00000  1.0 1.0
   54    53    63    66   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   52    42    41    38  15.00000 -1.0 2.0
   82    90    89    91   1.10000 -1.0 2.0
   92   114    91    89   1.10000 -1.0 2.0
   98   114   105   106  10.50000 -1.0 2.0
   97   109   100   101  10.50000 -1.0 2.0
   51    63    53    54  10.50000 -1.0 2.0
END
