* LIGAND DATABASE FILE (OPLS2005)
*
001     107   107    193    285     563
    1     0 S   NP   _N1_     1    29.17601    96.88733   -23.00727
    2     1 S   H    _HN1     2     1.02784   106.29356   -98.22195
    3     1 S   H    _H1_     3     1.02951    73.77882     6.65956
    4     1 S   H    _H2_     4     1.02830    36.00730   163.60645
    5     1 S   CT   _CA1     5     1.50109   136.77996   109.40352
    6     5 S   HC   _HA1     6     1.09572   105.20503    89.86050
    7     5 S   CO3  _C1_     7     1.53800   112.47889   -30.38334
    8     7 S   O2Z  _O11     8     1.26370   115.00606   -42.00297
    9     7 S   O2Z  _O12     9     1.26242   114.95651   137.17826
   10     5 S   CT   _CB1    10     1.53086   107.42614  -152.13776
   11    10 S   HC   HB11    11     1.09829   109.39986   -49.70284
   12    10 S   HC   HB12    12     1.09814   110.43078    66.91896
   13    10 S   CT   _CG1    13     1.52971   112.58636  -170.69568
   14    13 S   HC   HG11    14     1.09592   110.58891   -64.96378
   15    13 S   HC   HG12    15     1.09669   109.83134    54.25839
   16    13 S   C    _CD1    16     1.51791   112.31674   174.72370
   17    16 S   O    _OE1    17     1.22716   123.33264     4.69790
   18    16 S   N    _N2_    18     1.38608   111.55817  -175.43700
   19    18 S   H    _HN2    19     1.01582   118.94345     1.91969
   20    18 S   CT1  _CA2    20     1.46239   123.52485   178.58528
   21    20 S   HC   _HA2    21     1.09725   109.44920     0.61294
   22    20 S   C    _C2_    22     1.53520   108.58048  -115.00110
   23    22 S   O    _O2_    23     1.23042   122.34248  -148.57572
   24    20 S   CT   _CB2    32     1.53294   111.19316   122.69862
   25    24 S   HC   HB21    33     1.09476   109.46512    55.94811
   26    24 S   HC   HB22    34     1.09465   110.31344   174.76269
   27    22 S   N    _N3_    24     1.38342   113.67622    38.89580
   28    27 S   H    _HN3    25     1.01593   119.56074    -3.38524
   29    24 S   S    _SG2    35     1.82968   111.25283   -65.84529
   30    27 S   CT   _CA3    26     1.45278   123.16544   177.12758
   31    30 S   HC   HA31    27     1.09552   107.51418   -64.39780
   32    30 S   HC   HA32    28     1.09561   107.97473    52.02980
   33    29 S   CT   _C11    36     1.86790   100.91958   156.50044
   34    30 S   CO3  _C3_    29     1.52947   114.09886   174.02335
   35    34 S   O2Z  _O31    30     1.26374   116.07585    -0.75199
   36    34 S   O2Z  _O32    31     1.26431   114.41213   179.30705
   37    33 S   CT   _C10    37     1.55012   106.09952  -176.65684
   38    37 S   HC   _H10    38     1.09657   109.53845   -57.84240
   39    37 S   HC   _H11    39     1.09738   110.16778    60.19844
   40    33 S   CT   _C12    55     1.55319   109.21430    62.21258
   41    40 S   HC   _H12    56     1.09839   109.23910  -172.61767
   42    40 S   HC   _H13    57     1.09788   109.46366   -61.12785
   43    33 S   OS   _O36   103     1.44188   111.26012   -53.51761
   44    37 S   C    _C9_    40     1.52672   115.37694  -179.54243
   45    44 S   O    _O34    41     1.23146   122.13421   -11.76611
   46    40 S   CT   _C13    58     1.53056   116.90994    64.21122
   47    46 S   HC   _H14    59     1.09385   111.12358    64.78563
   48    46 S   HC   _H15    60     1.09367   111.73873   -56.70980
   49    43 S   CT   _C30   104     1.42021   117.55512   -68.78159
   50    49 S   HC   _H37   105     1.09385   107.75656   171.77844
   51    49 S   HC   _H38   106     1.09273   112.08959    53.16703
   52    49 S   HC   _H39   107     1.09290   110.96462   -70.72095
   53    44 S   N    _N4_    42     1.40714   115.24032   170.47115
   54    46 S   N    _N5_    61     1.45273   110.46217  -177.25919
   55    54 S   H    _H16    62     1.01501   117.95977   -92.19003
   56    53 S   C    _C8_    43     1.41280   129.06406    11.45078
   57    56 S   O    _O33    44     1.21977   130.00404    -8.92403
   58    54 S   C    _C14    63     1.38387   122.40877    85.14655
   59    58 S   O    _O35    64     1.22892   125.05936     3.89380
   60    56 S   CM   _C7_    45     1.47304   107.41567   170.80952
   61    60 S   HC   _H9_    46     1.07616   124.78345  -178.71032
   62    58 S   CT   _C15    65     1.51659   113.20102  -175.37645
   63    62 S   HC   _H17    66     1.09661   108.41760  -168.05417
   64    62 S   HC   _H18    67     1.09646   108.46926   -52.16730
   65    60 S   CM   _C6_    47     1.33295   107.13389     0.29871
   66    65 S   HC   _H8_    48     1.08158   123.57813  -179.06875
   67    62 S   CT   _C16    68     1.52918   112.33847    69.30114
   68    67 S   HC   _H19    69     1.09669   110.19561   -61.17366
   69    67 S   HC   _H20    70     1.09646   109.02844  -177.58638
   70    53 S   CT   _C5_    49     1.45677   120.24057  -176.51687
   71    70 S   HC   _H3_    50     1.09573   109.17680   -53.17472
   72    67 S   CM   _C17    71     1.50237   112.19576    62.48920
   73    72 S   HC   _H21    72     1.08726   116.82651    65.95909
   74    70 S   CT   _C4_    51     1.52613   112.64248    69.89781
   75    74 S   HC   _H5_    52     1.09642   111.60978    55.05134
   76    74 S   HC   _H6_    53     1.09471   111.25450   -64.66831
   77    74 S   HC   _H7_    54     1.09551   110.85602   175.50499
   78    72 S   CM   _C18    73     1.34186   123.53566  -113.41548
   79    78 S   HC   _H22    74     1.08810   119.30843    -0.10468
   80    78 S   CT   _C19    75     1.50899   123.82599   178.76584
   81    80 S   HC   _H4_    76     1.09805   109.84782     2.79239
   82    80 S   CT   _C20    77     1.53094   109.13029  -114.86941
   83    82 S   HC   _H23    78     1.09605   111.62360   -62.34927
   84    82 S   HC   _H24    79     1.09549   110.85552    57.98717
   85    82 S   HC   _H25    80     1.09530   110.77969   177.38888
   86    80 S   CT   _C21    81     1.54130   111.83958   123.00041
   87    86 S   HC   _H26    82     1.09851   109.92898    57.81446
   88    86 S   HC   _H27    83     1.09724   108.52140   173.76002
   89    86 S   CT   _C22    84     1.53580   112.91910   -64.76874
   90    89 S   HC   _H28    85     1.09729   109.63563    60.61327
   91    89 S   HC   _H29    86     1.09655   109.96304   -55.22632
   92    89 S   CM   _C23    87     1.51648   112.28268  -177.41003
   93    92 S   CM   _C24    88     1.34246   119.52190  -100.70344
   94    93 S   Cl   Cl1_    89     1.71294   125.82425  -178.87187
   95    93 S   HC   _H30    90     1.08307   123.17247     0.48537
   96    92 S   CT   _C25    91     1.51483   116.37100    79.69697
   97    96 S   HC   _H31    92     1.09630   110.82931  -154.99392
   98    96 S   HC   _H32    93     1.09587   109.17653   -39.71428
   99    96 S   CT   _C26    94     1.53478   111.95380    82.68031
  100    99 S   HC   _H33    95     1.09727   110.26306   -58.47210
  101    99 S   HC   _H34    96     1.09757   109.03755    58.38659
  102    99 S   CT   _C27    97     1.53030   112.67070   178.60928
  103   102 S   HC   _H35    98     1.09645   108.72448  -170.19047
  104   102 S   HC   _H36    99     1.09598   110.08225   -53.53827
  105   102 S   CZ   _C28   100     1.46941   112.12572    69.38750
  106   105 S   CZ   _C29   101     1.20043   179.75371   -19.31343
  107   106 S   Br   Br1_   102     1.82842   179.69868     2.13826
  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  11   5   4   3
  18   2   1   1  13   6   5  11   6   5   6   9   3   7   4   3
   3   2   1   1  12   7   3   8   4   8   4   6   3   8   5   4
   7   3   7   4   3   5   4   7   3   3   2   1   1  11   4  12
   8   7   3   2   1   8   5   4  10   4   3  10   6   2   1   9
   5   4   7   5   4   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    42    46    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    53    40    41    42    46    47    48    54    43    49    50    51    52  
   35    36  
   36  
    0  
   38    39    44    45    53    56    70    40    41    42    46    43    49  
   39    44    45    53    40    43  
   44    45    53    40    43  
   41    42    46    47    48    54    55    58    43    49    44  
   42    46    47    48    54    43  
   46    47    48    54    43  
   49    50    51    52    44    46  
   45    53    56    57    60    65    70    71    74  
   53    56    70  
   47    48    54    55    58    59    62  
   48    54    55    58  
   54    55    58  
   50    51    52  
   51    52  
   52  
    0  
   56    57    60    61    65    66    70    71    74    75    76    77  
   55    58    59    62    63    64    67  
   58    59    62  
   57    60    61    65    66    70    71    74  
   60    61    65    70  
   59    62    63    64    67    68    69    72  
   62    63    64    67  
   61    65    66    70    71    74  
   65    66    70  
   63    64    67    68    69    72    73    78  
   64    67    68    69    72  
   67    68    69    72  
   66    70    71    74    75    76    77  
   70    71    74  
   68    69    72    73    78    79    80  
   69    72    73    78  
   72    73    78  
   71    74    75    76    77  
   74    75    76    77  
   73    78    79    80    81    82    86  
   78    79    80  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    83    84    85    86    87    88    89    90    91    92  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89    90    91    92    93    96  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98    99  
   91    92    93    96  
   92    93    96  
   93    94    95    96    97    98    99   100   101   102  
   94    95    96    97    98    99  
   95    96  
   96  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107  
  104   105   106  
  105   106  
  106   107  
  107  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.5500   0.0760   0.005000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
  106   3.6500   0.1500  -0.078600   2.0580   1.8250   0.025318638  -1.264311570
  107   3.4700   0.4700   0.078600   2.8000   2.5000   0.001000000  -0.686339560
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    53   490.000  1.335
   53    56   490.000  1.335
   53    70   337.000  1.449
   56    57   570.000  1.229
   56    60   410.000  1.444
   60    61   340.000  1.080
   60    65   549.000  1.340
   65    66   340.000  1.080
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   337.000  1.449
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.510
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   317.000  1.510
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   317.000  1.510
   92    93   549.000  1.340
   92    96   317.000  1.510
   93    94   300.000  1.725
   93    95   340.000  1.080
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   390.000  1.470
  105   106   985.000  1.221
  106   107   265.000  1.829
   43    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    58.35000  112.70000
   33    43    49    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    53    70.00000  116.60000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    53    56    70.00000  121.37400
   44    53    70    50.00000  121.90000
   53    44    45    80.00000  122.90000
   53    56    57    80.00000  122.90000
   53    56    60    80.00000  111.56200
   53    70    65    75.00000  110.78400
   53    70    71    35.00000  109.50000
   53    70    74    70.00000  110.72300
   56    60    61    35.00000  119.70000
   56    60    65    70.00000  118.70000
   60    56    57    80.00000  125.30000
   60    65    66    35.00000  120.00000
   60    65    70    70.00000  124.00000
   65    60    61    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    74    70.00000  112.02700
   70    53    56    50.00000  121.90000
   70    65    66    35.00000  117.00000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    70.00000  110.72300
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    54    55    38.00000  118.40000
   46    54    58    50.00000  121.90000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   54    58    59    80.00000  122.90000
   54    58    62    70.00000  116.60000
   58    54    55    35.00000  119.80000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    67    63.00000  111.10000
   62    58    59    80.00000  120.40000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    72    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    72    73    35.00000  117.00000
   67    72    78    70.00000  124.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    80    70.00000  124.00000
   78    72    73    35.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    70.00000  112.02700
   78    80    86    70.00000  112.02700
   80    78    79    35.00000  117.00000
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    58.35000  112.70000
   82    80    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    58.35000  112.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    70.00000  112.02700
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    70.00000  124.00000
   89    92    96    65.00000  117.92700
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    75.00000  121.50000
   92    93    95    35.00000  120.00000
   92    96    97    35.00000  109.50000
   92    96    98    35.00000  109.50000
   92    96    99    70.00000  112.02700
   95    93    94    60.00000  114.00000
   96    92    93    70.00000  124.00000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    30.00000  179.48800
  104   102   103    33.00000  107.80000
  105   102   103    35.00000  108.50000
  105   102   104    35.00000  108.50000
  105   106   107    30.00000  180.00000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    43    49   0.14700  1.0 1.0
   29    33    43    49  -1.16150 -1.0 2.0
   29    33    43    49   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    53   1.39750  1.0 1.0
   33    37    44    53  -0.07950 -1.0 2.0
   33    37    44    53  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    54   0.43900  1.0 1.0
   33    40    46    54   0.49100 -1.0 2.0
   33    40    46    54   0.28400  1.0 3.0
   33    43    49    50   0.37050  1.0 3.0
   33    43    49    51   0.37050  1.0 3.0
   33    43    49    52   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    46   0.56750  1.0 1.0
   37    33    40    46  -0.07550 -1.0 2.0
   37    33    40    46   0.20000  1.0 3.0
   37    33    43    49   0.06250  1.0 1.0
   37    33    43    49  -0.01100 -1.0 2.0
   37    33    43    49   0.28050  1.0 3.0
   37    44    53    56   2.45000 -1.0 2.0
   37    44    53    70   1.49850  1.0 1.0
   37    44    53    70   1.53950 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    53   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    53   0.00000  1.0 1.0
   44    53    56    57   2.22250 -1.0 2.0
   44    53    56    60   2.45000 -1.0 2.0
   44    53    70    65  -0.19250  1.0 1.0
   44    53    70    65  -0.00500 -1.0 2.0
   44    53    70    65   0.17000  1.0 3.0
   44    53    70    71   0.00000  1.0 1.0
   44    53    70    74  -0.43950  1.0 1.0
   44    53    70    74  -0.08100 -1.0 2.0
   44    53    70    74   0.03350  1.0 3.0
   45    44    53    56   2.22250 -1.0 2.0
   45    44    53    70   3.04450 -1.0 2.0
   53    56    60    61   0.65100 -1.0 2.0
   53    56   -60    65   0.49500  1.0 1.0
   53    56   -60    65   1.31600 -1.0 2.0
   53    56   -60    65  -0.02300  1.0 3.0
   53    70    74    75   0.15000  1.0 3.0
   53    70    74    76   0.15000  1.0 3.0
   53    70    74    77   0.15000  1.0 3.0
   56    53   -70    65  -0.19250  1.0 1.0
   56    53   -70    65  -0.00500 -1.0 2.0
   56    53   -70    65   0.17000  1.0 3.0
   56    53    70    71   0.00000  1.0 1.0
   56    53    70    74  -0.43950  1.0 1.0
   56    53    70    74  -0.08100 -1.0 2.0
   56    53    70    74   0.03350  1.0 3.0
   56    60    65    66   7.00000 -1.0 2.0
   56    60   -65    70   7.00000 -1.0 2.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    65   1.00000 -1.0 2.0
   60    65   -70    53   0.62150  1.0 1.0
   60    65   -70    53   0.42850 -1.0 2.0
   60    65   -70    53  -0.68200  1.0 3.0
   60    65    70    71   0.00000  1.0 1.0
   60    65    70    74   0.09850  1.0 1.0
   60    65    70    74   0.15250 -1.0 2.0
   60    65    70    74  -0.50650  1.0 3.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    70   7.00000 -1.0 2.0
   65    70    74    75   0.15000  1.0 3.0
   65    70    74    76   0.15000  1.0 3.0
   65    70    74    77   0.15000  1.0 3.0
   66    65    70    53   0.00000  1.0 1.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    74   0.00000  1.0 1.0
   70    53    56    57   3.04450 -1.0 2.0
   70    53   -56    60   1.49850  1.0 1.0
   70    53   -56    60   1.53950 -1.0 2.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    43    49   0.06250  1.0 1.0
   40    33    43    49  -0.01100 -1.0 2.0
   40    33    43    49   0.28050  1.0 3.0
   40    46    54    55   0.00000  1.0 1.0
   40    46    54    58  -0.43950  1.0 1.0
   40    46    54    58  -0.08100 -1.0 2.0
   40    46    54    58   0.03350  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54   0.15000  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    54   0.15000  1.0 3.0
   46    54    58    59   3.04450 -1.0 2.0
   46    54    58    62   1.49850  1.0 1.0
   46    54    58    62   1.53950 -1.0 2.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    58   0.00000  1.0 1.0
   48    46    54    55   0.00000  1.0 1.0
   48    46    54    58   0.00000  1.0 1.0
   54    58    62    63   0.00000  1.0 1.0
   54    58    62    64   0.00000  1.0 1.0
   54    58    62    67   1.39750  1.0 1.0
   54    58    62    67  -0.07950 -1.0 2.0
   54    58    62    67  -0.18750  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    62   2.45000 -1.0 2.0
   58    62    67    68  -0.11250  1.0 3.0
   58    62    67    69  -0.11250  1.0 3.0
   58    62    67    72  -0.98800  1.0 1.0
   58    62    67    72   0.48800 -1.0 2.0
   58    62    67    72   0.76800  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    67   0.30150 -1.0 2.0
   62    67    72    73   0.00000  1.0 1.0
   62    67    72    78   0.09850  1.0 1.0
   62    67    72    78   0.15250 -1.0 2.0
   62    67    72    78  -0.50650  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    72   0.15000  1.0 3.0
   67    72    78    79   7.00000 -1.0 2.0
   67    72    78    80   7.00000 -1.0 2.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    78   0.00000  1.0 1.0
   69    67    72    73   0.33100  1.0 3.0
   69    67    72    78   0.00000  1.0 1.0
   72    78    80    81   0.00000  1.0 1.0
   72    78    80    82   0.09850  1.0 1.0
   72    78    80    82   0.15250 -1.0 2.0
   72    78    80    82  -0.50650  1.0 3.0
   72    78    80    86   0.09850  1.0 1.0
   72    78    80    86   0.15250 -1.0 2.0
   72    78    80    86  -0.50650  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   78    80    82    83   0.15000  1.0 3.0
   78    80    82    84   0.15000  1.0 3.0
   78    80    82    85   0.15000  1.0 3.0
   78    80    86    87   0.15000  1.0 3.0
   78    80    86    88   0.15000  1.0 3.0
   78    80    86    89   0.34400  1.0 1.0
   78    80    86    89   0.09450 -1.0 2.0
   78    80    86    89   0.11100  1.0 3.0
   79    78    80    81   0.33100  1.0 3.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    86   0.00000  1.0 1.0
   80    86    89    90   0.15000  1.0 3.0
   80    86    89    91   0.15000  1.0 3.0
   80    86    89    92   0.34400  1.0 1.0
   80    86    89    92   0.09450 -1.0 2.0
   80    86    89    92   0.11100  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.56750  1.0 1.0
   82    80    86    89  -0.07550 -1.0 2.0
   82    80    86    89   0.20000  1.0 3.0
   86    80    82    83   0.15000  1.0 3.0
   86    80    82    84   0.15000  1.0 3.0
   86    80    82    85   0.15000  1.0 3.0
   86    89    92    93   0.09850  1.0 1.0
   86    89    92    93   0.15250 -1.0 2.0
   86    89    92    93  -0.50650  1.0 3.0
   86    89    92    96   0.46850  1.0 1.0
   86    89    92    96   0.08550 -1.0 2.0
   86    89    92    96   0.09800  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   89    92    93    94   7.00000 -1.0 2.0
   89    92    93    95   7.00000 -1.0 2.0
   89    92    96    97   0.34800  1.0 3.0
   89    92    96    98   0.34800  1.0 3.0
   89    92    96    99   0.46850  1.0 1.0
   89    92    96    99   0.08550 -1.0 2.0
   89    92    96    99   0.09800  1.0 3.0
   90    89    92    93   0.00000  1.0 1.0
   90    89    92    96   0.34800  1.0 3.0
   91    89    92    93   0.00000  1.0 1.0
   91    89    92    96   0.34800  1.0 3.0
   92    96    99   100   0.15000  1.0 3.0
   92    96    99   101   0.15000  1.0 3.0
   92    96    99   102   0.34400  1.0 1.0
   92    96    99   102   0.09450 -1.0 2.0
   92    96    99   102   0.11100  1.0 3.0
   93    92    96    97   0.00000  1.0 1.0
   93    92    96    98   0.00000  1.0 1.0
   93    92    96    99   0.09850  1.0 1.0
   93    92    96    99   0.15250 -1.0 2.0
   93    92    96    99  -0.50650  1.0 3.0
   96    92    93    94   7.00000 -1.0 2.0
   96    92    93    95   7.00000 -1.0 2.0
   96    99   102   103   0.15000  1.0 3.0
   96    99   102   104   0.15000  1.0 3.0
   96    99   102   105  -0.74000  1.0 1.0
   96    99   102   105   0.24050 -1.0 2.0
   96    99   102   105   0.24650  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   102   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   102   0.15000  1.0 3.0
   99   102   105   106   0.00000  1.0 1.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   105   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   105   0.15000  1.0 3.0
  102   105   106   107   0.00000  1.0 1.0
  103   102   105   106   0.00000  1.0 1.0
  104   102   105   106   0.00000  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    41   0.23400  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
   43    33    40    46   0.62750  1.0 1.0
   43    33    40    46  -0.30950 -1.0 2.0
   43    33    40    46   0.27300  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    53    44    45  10.50000 -1.0 2.0
   70    44    53    56   1.00000 -1.0 2.0
   53    60    56    57  10.50000 -1.0 2.0
   56    61    60    65   1.10000 -1.0 2.0
   70    66    65    60   1.10000 -1.0 2.0
   55    58    54    46   1.00000 -1.0 2.0
   54    62    58    59  10.50000 -1.0 2.0
   67    73    72    78  15.00000 -1.0 2.0
   80    79    78    72  15.00000 -1.0 2.0
   89    96    92    93  15.00000 -1.0 2.0
   94    95    93    92  15.00000 -1.0 2.0
END
