* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    124    194     362
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02057    38.53480  -152.64689
    3     1 S   H    _H1_     3     1.02082   101.05171   -46.50567
    4     1 S   H    _H2_     4     1.02077    76.12980    60.23783
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.83426    98.14559  -178.21567
   34    33 S   HC   _H4_    37     1.10046   106.78407   -42.86940
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C11    38     1.52380   109.79394    79.99033
   39    38 S   HC   _H5_    39     1.09579   114.94373   -30.56376
   40    38 S   CT   _C12    40     1.53241   104.86721    95.34127
   41    40 S   HC   _H6_    41     1.10095   111.25703   125.34304
   42    38 S   OS   _O36    65     1.43117   107.62497  -148.88690
   43    40 S   OS   _O34    42     1.43995   107.10488     8.42543
   44    40 S   CT   _C13    60     1.52044   113.58329  -111.32104
   45    44 S   HC   _H11    61     1.09223   110.19351    60.02495
   46    44 S   HC   _H12    62     1.09189   110.26130   -60.92634
   47    42 S   PR   _P1_    66     1.61783   115.90482   160.01446
   48    47 S   OM   _O37    67     1.46036    97.62183  -179.96574
   49    33 S   CO   _C9_    43     1.52868   114.96075  -166.44092
   50    49 S   HC   _H3_    44     1.09618   109.55776   164.05454
   51    44 S   OH   _O35    63     1.41742   108.73968   179.50584
   52    51 S   HO   _H13    64     0.97177   106.99061   180.00000
   53    47 S   OH   _O38    68     1.61905    98.13517   -80.83021
   54    53 S   HO   _H14    69     0.98107   110.37514   -98.96787
   55    49 S   N*   _N4_    45     1.46651   111.93271    47.81369
   56    55 S   CRAB _C4_    46     1.28360   133.56006  -121.14821
   57    56 S   HA   _H7_    47     1.09798   121.48262     0.03426
   58    56 S   NNA  _N7_    48     1.40075   115.89025  -179.97202
   59    58 S   CB   _C8_    49     1.29757   107.19342     0.03956
   60    55 S   CN   _C5_    50     1.51883   122.84340    58.89222
   61    60 S   NNC  _N5_    51     1.28500   134.36897    -0.01978
   62    61 S   CDX  _C6_    52     1.38059   118.26036   179.97202
   63    62 S   NNB  _N6_    53     1.35341   123.95082     0.01978
   64    63 S   H    _H8_    54     1.01623   117.02989   179.97202
   65    62 S   NND  _N8_    57     1.33224   118.35385  -179.95154
   66    65 S   H    _H9_    58     1.01270   120.23515    -0.05234
   67    65 S   H    _H10    59     1.01280   120.24808  -179.94405
   68    59 S   C    _C7_    55     1.46960   128.78199   179.98022
   69    68 S   O    _O33    56     1.21133   124.87264    -0.00000
  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  10   5   4   3
  14   8   2   1   1  15   7  12   7   7   9   5   3   2   3   2
   8   3   1   1   1   1   8   6   3   6   7   6   7   7   6   3
   3   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    50    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    55    56    60    44    42    47  
   38    39    40    43    49    50    55    42  
   36    37  
   37  
    0  
   39    40    41    43    49    50    55    44    45    46    51    42    47    48    53  
   40    41    43    49    44    42    47  
   41    43    49    50    55    44    45    46    51    52    42    47  
   43    49    44    45    46    51    42  
   47    48    53    54    43    44    49  
   49    50    55    56    60    44    45    46    51  
   45    46    51    52    49  
   46    51    52  
   51    52  
   48    53    54  
   53    54  
   50    55    56    57    58    59    60    61  
   55    56    60  
   52  
    0  
   54  
    0  
   56    57    58    59    60    61    62    68  
   57    58    59    60    61    68  
   58    59    60  
   59    60    61    63    68    69  
   60    61    62    63    64    68    69  
   61    62    63    68    69    65  
   62    63    64    68    65    66    67  
   63    64    68    69    65    66    67  
   64    68    69    65    66    67  
   68    69    65  
   66    67    68  
   67  
    0  
   69  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.712500   1.7660   1.5600   0.020110767  -0.896042159
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.1200   0.1700  -0.930500   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   62   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    49   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   40    44   268.000  1.529
   43    49   320.000  1.380
   49    50   340.000  1.090
   49    55   275.000  1.479
   55    56   440.000  1.371
   55    60   436.000  1.374
   56    57   367.000  1.080
   56    58   529.000  1.304
   58    59   414.000  1.391
   59    60   520.000  1.370
   59    68   447.000  1.419
   60    61   461.000  1.354
   61    62   585.000  1.311
   62    63   427.000  1.381
   62    65   481.000  1.340
   63    64   434.000  1.010
   63    68   418.000  1.388
   68    69   570.000  1.229
   65    66   434.000  1.010
   65    67   434.000  1.010
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   320.000  1.410
   51    52   553.000  0.945
   42    47   325.000  1.672
   47    48   325.000  1.672
   47    53   325.000  1.672
   53    54   553.000  0.945
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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    49    43    90.00000  108.56700
   33    49    50    45.00000  112.01100
   33    49    55    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    50.00000  109.50000
   38    40    44    58.35000  112.70000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    49    60.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    50.00000  109.50000
   43    40    41    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    55   105.00000  106.22000
   49    33    34    45.00000  108.72000
   49    33    38    75.00000  109.43000
   49    55    56    70.00000  128.80000
   49    55    60    70.00000  125.80000
   55    49    50    55.00000  103.44000
   55    56    57    35.00000  123.05000
   55    56    58    70.00000  113.90000
   55    60    59    70.00000  106.20000
   55    60    61    70.00000  126.20000
   56    58    59    70.00000  103.80000
   58    56    57    35.00000  123.05000
   58    59    60    70.00000  110.40000
   58    59    68    70.00000  130.00000
   59    60    61    70.00000  127.70000
   59    68    63    70.00000  111.30000
   59    68    69    80.00000  128.80000
   60    55    56    70.00000  105.40000
   60    61    62    70.00000  112.20000
   61    62    63    70.00000  123.30000
   61    62    65    70.00000  119.30000
   62    63    64    35.00000  118.00000
   62    63    68    70.00000  125.20000
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   63    68    69    80.00000  120.60000
   68    59    60    85.00000  119.20000
   68    63    64    35.00000  116.80000
   65    62    63    70.00000  116.00000
   67    65    66    35.00000  120.00000
   44    40    41    37.50000  110.70000
   44    40    43    50.00000  109.50000
   44    51    52    55.00000  108.50000
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    45.00000  102.60000
   42    47    53    45.00000  102.60000
   47    53    54    45.00000  108.50000
   53    47    48    35.00000   94.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    43   0.62750  1.0 1.0
   33    38   -40    43  -0.30950 -1.0 2.0
   33    38   -40    43   0.27300  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    49    55    56   1.10250  1.0 1.0
   33    49    55    56   0.01650 -1.0 2.0
   33    49    55    56   0.39100  1.0 3.0
   33    49    55    60   1.10250  1.0 1.0
   33    49    55    60   0.01650 -1.0 2.0
   33    49    55    60   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    49    43   0.23400  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.15000  1.0 3.0
   38    33   -49    43   0.62750  1.0 1.0
   38    33   -49    43  -0.30950 -1.0 2.0
   38    33   -49    43   0.27300  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    55  -0.64600  1.0 1.0
   38    33    49    55   0.58400 -1.0 2.0
   38    40   -43    49   0.06250  1.0 1.0
   38    40   -43    49  -0.01100 -1.0 2.0
   38    40   -43    49   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    51   0.86500  1.0 1.0
   38    40    44    51  -0.17500 -1.0 2.0
   38    40    44    51   0.20800  1.0 3.0
   38    42    47    48   0.05050  1.0 1.0
   38    42    47    48  -1.30700 -1.0 2.0
   38    42    47    48   0.91550  1.0 3.0
   38    42    47    53   0.05050  1.0 1.0
   38    42    47    53  -1.30700 -1.0 2.0
   38    42    47    53   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43   -49    33   0.06250  1.0 1.0
   40    43   -49    33  -0.01100 -1.0 2.0
   40    43   -49    33   0.28050  1.0 3.0
   40    43    49    50   0.37050  1.0 3.0
   40    43    49    55  -2.37750  1.0 1.0
   40    43    49    55  -0.08150 -1.0 2.0
   40    43    49    55   0.59000  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   41    40    43    49   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.23400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    51   3.69350  1.0 1.0
   43    40    44    51  -1.82950 -1.0 2.0
   43    49    55    56   0.10350  1.0 1.0
   43    49    55    56  -0.15350 -1.0 2.0
   43    49    55    60   0.10350  1.0 1.0
   43    49    55    60  -0.15350 -1.0 2.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   3.97050  1.0 1.0
   49    33    38    42   0.62750  1.0 1.0
   49    33    38    42  -0.30950 -1.0 2.0
   49    33    38    42   0.27300  1.0 3.0
   49    55    56    57   3.62500 -1.0 2.0
   49    55    56    58   3.62500 -1.0 2.0
   49    55    60    59   0.81400  1.0 1.0
   49    55    60    59   1.55550 -1.0 2.0
   49    55    60    61   3.62500 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    60   0.00000  1.0 1.0
   55    56   -58    59   3.62500 -1.0 2.0
   55    60    61    62   1.25000 -1.0 2.0
   56    55   -60    59   0.70250  1.0 1.0
   56    55   -60    59   1.56150 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    68   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59   -60    55   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    68    63   5.37500 -1.0 2.0
   58    59    68    69   0.41000 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   60    55    56    57   3.62500 -1.0 2.0
   60    55   -56    58   3.62500 -1.0 2.0
   60    59    68    63   1.50000 -1.0 2.0
   60    59    68    69   1.05000 -1.0 2.0
   60    61   -62    63   3.62500 -1.0 2.0
   60    61    62    65   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    68   3.62500 -1.0 2.0
   61    62    65    66   0.70000 -1.0 2.0
   61    62    65    67   0.70000 -1.0 2.0
   62    63   -68    59   1.52500 -1.0 2.0
   62    63    68    69   3.04450 -1.0 2.0
   63    62    65    66   1.01500 -1.0 2.0
   63    62    65    67   1.01500 -1.0 2.0
   64    63    68    59   1.52500 -1.0 2.0
   64    63    68    69   2.45000 -1.0 2.0
   68    59    60    55   3.62500 -1.0 2.0
   68    59   -60    61   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    68   3.62500 -1.0 2.0
   44    40    43    49   0.06250  1.0 1.0
   44    40    43    49  -0.01100 -1.0 2.0
   44    40    43    49   0.28050  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   46    44    51    52   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   1.11900  1.0 1.0
   42    38    40    43  -1.16350 -1.0 2.0
   42    38    40    43  -0.34150  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
   42    47    53    54   0.00000  1.0 1.0
   48    47    53    54   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
   56    60    55    49   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    68    59    58   4.00000 -1.0 2.0
   59    61    60    55   4.00000 -1.0 2.0
   63    65    62    61  10.50000 -1.0 2.0
   64    62    63    68   1.00000 -1.0 2.0
   59    63    68    69  10.50000 -1.0 2.0
   67    62    65    66   1.00000 -1.0 2.0
END
