* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    126    200     371
    1     0 S   NP   _N1_     1    28.85812    96.69597   -24.33737
    2     1 S   H    _HN1     2     1.02797   113.31522  -111.76272
    3     1 S   H    _H1_     3     1.02942    74.06406    -8.26748
    4     1 S   H    _H2_     4     1.02820    33.71279   160.71268
    5     1 S   CT   _CA1     5     1.50152   129.74318    95.29695
    6     5 S   HC   _HA1     6     1.09570   105.16923    92.05449
    7     5 S   CO3  _C1_     7     1.53813   112.20283   -28.18960
    8     7 S   O2Z  _O11     8     1.26394   115.00207   -46.78129
    9     7 S   O2Z  _O12     9     1.26212   114.99201   131.92996
   10     5 S   CT   _CB1    10     1.53041   107.33722  -149.97996
   11    10 S   HC   HB11    11     1.09846   109.51674   -48.16558
   12    10 S   HC   HB12    12     1.09804   110.47531    68.48629
   13    10 S   CT   _CG1    13     1.52980   112.52220  -168.96684
   14    13 S   HC   HG11    14     1.09572   110.80411   -65.26226
   15    13 S   HC   HG12    15     1.09660   109.64910    53.95735
   16    13 S   C    _CD1    16     1.51811   111.82481   174.60032
   17    16 S   O    _OE1    17     1.22785   123.14988    14.89105
   18    16 S   N    _N2_    18     1.38458   111.93659  -165.40929
   19    18 S   H    _HN2    19     1.02034   118.90535     0.36154
   20    18 S   CT1  _CA2    20     1.46173   123.79047   179.26485
   21    20 S   HC   _HA2    21     1.09743   109.06590    12.81478
   22    20 S   C    _C2_    22     1.53690   109.55171  -103.06176
   23    22 S   O    _O2_    23     1.23137   122.10180  -149.12252
   24    20 S   CT   _CB2    32     1.53443   111.21179   134.44808
   25    24 S   HC   HB21    33     1.09444   109.48013    59.10019
   26    24 S   HC   HB22    34     1.09489   110.28600   177.72376
   27    22 S   N    _N3_    24     1.38320   114.12553    38.80078
   28    27 S   H    _HN3    25     1.01515   119.67787    -4.47431
   29    24 S   S    _SG2    35     1.82807   111.17775   -62.71949
   30    27 S   CT   _CA3    26     1.45290   123.14179   176.80537
   31    30 S   HC   HA31    27     1.09559   107.65113   -59.83812
   32    30 S   HC   HA32    28     1.09557   107.78897    56.52996
   33    29 S   CT   _C5_    36     1.87273   100.88466   160.56894
   34    30 S   CO3  _C3_    29     1.52960   114.21627   178.34519
   35    34 S   O2Z  _O31    30     1.26369   116.15333    -2.72663
   36    34 S   O2Z  _O32    31     1.26455   114.40091   177.27825
   37    33 S   CA   _C6_    37     1.56372   110.01380  -177.43891
   38    33 S   CT   _C4_    66     1.54189   109.78935    59.08633
   39    38 S   HC   _H4_    67     1.09702   111.42783   -71.90514
   40    38 S   HC   _H5_    68     1.09754   110.19218   171.40486
   41    38 S   HC   _H6_    69     1.09277   114.32615    49.98249
   42    37 S   CA   _C7_    38     1.41406   117.20064   113.34862
   43    37 S   CA   _C15    50     1.44762   122.66668   -66.00154
   44    43 S   OM   _O33    51     1.28231   122.03144     0.79917
   45    42 S   CA   _C8_    39     1.39472   120.60785   178.85261
   46    45 S   HA   _H7_    40     1.08973   118.66939  -178.66236
   47    42 S   CT   _C16    54     1.50629   121.88027     1.75881
   48    47 S   HC   _H12    55     1.09775   107.35193    95.69542
   49    47 S   HC   _H13    56     1.09671   110.41935  -146.58196
   50    45 S   CA   _C9_    41     1.39007   121.50689     1.35855
   51    47 S   CT   _C17    57     1.51895   110.90763   -25.14392
   52    51 S   HC   _H3_    58     1.09634   110.74673   -64.38591
   53    50 S   CA   _C10    42     1.40762   118.25021   179.64337
   54    53 S   HA   _H8_    43     1.08895   120.46073     0.09487
   55    33 S   OS   _O35    59     1.44847   109.58478   -52.53285
   56    51 S   CT   _C18    60     1.52861   110.38805   173.06144
   57    56 S   HC   _H14    61     1.09682   110.09935    52.73191
   58    56 S   HC   _H15    62     1.09772   109.77918   -65.69196
   59    53 S   CA   _C11    44     1.38973   121.41475  -179.83214
   60    59 S   HA   _H9_    45     1.08547   120.31474   179.97202
   61    56 S   CO3  _C19    63     1.53150   114.01597   172.50527
   62    61 S   O2Z  _O37    64     1.26211   116.23734   -38.55794
   63    61 S   O2Z  _O36    65     1.26445   114.53178   142.72175
   64    59 S   CA   _C12    46     1.38268   119.27659     0.02798
   65    64 S   HA   _H10    47     1.08631   119.95949   179.94766
   66    64 S   CA   _C13    48     1.39855   119.62633    -0.06256
   67    50 S   CA   _C14    49     1.41905   120.20658    -0.30901
   68    66 S   OH   _O34    52     1.37704   114.19100  -179.97202
   69    68 S   HO   _H11    53     0.97557   107.11139  -179.70129
  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
  15   2   1   1  17   7   3   2   1  14  10   3  11   4  10   5
   4   8   8   5   7   4   4   5   4   3   6   3   2   1   1   5
   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    43    51    55    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    67    43    44    47    51    52    55    56    38    39    40    41  
   35    36  
   36  
    0  
   42    45    46    50    66    67    43    44    47    48    49    51    55    38    39    40    41  
   39    40    41    42    43    51    55  
   40    41    55  
   41    55  
   55  
   45    46    50    53    67    43    44    47    48    49    51    52    55    56  
   44    68    47    55    45    50    53    64    66    67  
   50    66    67  
   46    50    53    54    59    66    67    47    48    49    51  
   50    53    67    47  
   48    49    51    52    55    56    57    58    61    50  
   49    51    52    55    56  
   51    52    55    56  
   53    54    59    60    64    66    67    68  
   52    55    56    57    58    61    62    63  
   55    56    57    58    61  
   54    59    60    64    65    66    67  
   59    60    64    67  
   56    57    58    61  
   57    58    61    62    63  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   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  -0.316400   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   0.390700   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   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    55   320.000  1.410
   33    38   268.000  1.529
   37    42   469.000  1.400
   37    43   469.000  1.400
   42    45   469.000  1.400
   42    47   317.000  1.510
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    53   469.000  1.400
   50    67   469.000  1.400
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    68   450.000  1.364
   67    43   469.000  1.400
   43    44   450.000  1.364
   68    69   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    55   320.000  1.410
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    80.00000  109.48900
   29    33    55    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  120.00000
   33    37    43    70.00000  120.00000
   33    55    51    60.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    45    63.00000  120.00000
   37    42    47    70.00000  120.00000
   37    43    67    63.00000  120.00000
   37    43    44    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    51    70.00000  112.17500
   45    50    53    63.00000  120.00000
   45    50    67    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    67    66    63.00000  120.00000
   50    67    43    63.00000  120.00000
   53    59    60    35.00000  120.00000
   53    59    64    63.00000  120.00000
   59    53    54    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    66    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    68    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    43    63.00000  120.00000
   66    68    69    35.00000  113.00000
   67    50    53    63.00000  120.00000
   67    43    44    70.00000  120.00000
   43    37    42    63.00000  120.00000
   68    66    67    70.00000  120.00000
   47    42    45    70.00000  120.00000
   47    51    52    37.50000  110.70000
   47    51    55    50.00000  109.50000
   47    51    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    70.00000  109.69300
   55    33    37    85.00000  111.85700
   55    51    52    35.00000  109.50000
   56    51    52    37.50000  110.70000
   56    51    55    50.00000  109.50000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   38    33    37    70.00000  112.17500
   38    33    55    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    55   0.13850  1.0 1.0
   24    29    33    55  -1.34450 -1.0 2.0
   24    29    33    55   0.57400  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    55    51   0.14700  1.0 1.0
   29    33    55    51  -1.16150 -1.0 2.0
   29    33    55    51   0.48700  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    45   3.62500 -1.0 2.0
   33    37    42    47   3.62500 -1.0 2.0
   33    37    43    67   3.62500 -1.0 2.0
   33    37    43    44   3.62500 -1.0 2.0
   37    33    55    51   0.37500  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    41   0.43200  1.0 3.0
   37    42    45    46   3.62500 -1.0 2.0
   37    42    45    50   3.62500 -1.0 2.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    51   0.04150 -1.0 2.0
   42    37    43    67   3.62500 -1.0 2.0
   42    37    43    44   3.62500 -1.0 2.0
   42    45    50    53   3.62500 -1.0 2.0
   42    45   -50    67   3.62500 -1.0 2.0
   42    47    51    52   0.43200  1.0 3.0
   42    47    51    55  -0.64350  1.0 1.0
   42    47    51    55  -0.04200 -1.0 2.0
   42    47    51    55   0.19800  1.0 3.0
   42    47    51    56  -0.03700  1.0 1.0
   42    47    51    56   0.37200 -1.0 2.0
   42    47    51    56  -0.47300  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    51   0.04150 -1.0 2.0
   45    50    53    54   3.62500 -1.0 2.0
   45    50    53    59   3.62500 -1.0 2.0
   45    50    67    66   3.62500 -1.0 2.0
   45    50    67    43   3.62500 -1.0 2.0
   46    45    50    53   3.62500 -1.0 2.0
   46    45    50    67   3.62500 -1.0 2.0
   50    53    59    60   3.62500 -1.0 2.0
   50    53    59    64   3.62500 -1.0 2.0
   50    67   -43    37   3.62500 -1.0 2.0
   50    67    43    44   3.62500 -1.0 2.0
   53    50    67    66   3.62500 -1.0 2.0
   53    50    67    43   3.62500 -1.0 2.0
   53    59    64    65   3.62500 -1.0 2.0
   53    59   -64    66   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    64   3.62500 -1.0 2.0
   59    64    66    67   3.62500 -1.0 2.0
   59    64    66    68   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    66   3.62500 -1.0 2.0
   64    66   -67    50   3.62500 -1.0 2.0
   64    66    67    43   3.62500 -1.0 2.0
   64    66    68    69   0.84100 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    67    43    37   3.62500 -1.0 2.0
   66    67    43    44   3.62500 -1.0 2.0
   67    50    53    54   3.62500 -1.0 2.0
   67    50   -53    59   3.62500 -1.0 2.0
   67    66    68    69   0.84100 -1.0 2.0
   43    37   -42    45   3.62500 -1.0 2.0
   43    37    42    47   3.62500 -1.0 2.0
   68    66    67    50   3.62500 -1.0 2.0
   68    66    67    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    50   3.62500 -1.0 2.0
   47    51   -55    33   0.06250  1.0 1.0
   47    51   -55    33  -0.01100 -1.0 2.0
   47    51   -55    33   0.28050  1.0 3.0
   47    51    56    57   0.15000  1.0 3.0
   47    51    56    58   0.15000  1.0 3.0
   47    51    56    61  -1.63150  1.0 1.0
   47    51    56    61  -0.43550 -1.0 2.0
   47    51    56    61   0.24500  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    55   0.23400  1.0 3.0
   49    47    51    56   0.15000  1.0 3.0
   51    56    61    62   0.41150 -1.0 2.0
   51    56    61    63   0.41150 -1.0 2.0
   52    51    55    33   0.37050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61  -0.11250  1.0 3.0
   55    33   -37    42   0.64500  1.0 1.0
   55    33   -37    42   0.14800 -1.0 2.0
   55    33   -37    42   0.20650  1.0 3.0
   55    33    37    43   0.64500  1.0 1.0
   55    33    37    43   0.14800 -1.0 2.0
   55    33    37    43   0.20650  1.0 3.0
   55    33    38    39   0.23400  1.0 3.0
   55    33    38    40   0.23400  1.0 3.0
   55    33    38    41   0.23400  1.0 3.0
   55    51    56    57   0.23400  1.0 3.0
   55    51    56    58   0.23400  1.0 3.0
   55    51    56    61  -3.35100  1.0 1.0
   55    51    56    61  -0.37050 -1.0 2.0
   55    51    56    61   0.22400  1.0 3.0
   56    51    55    33   0.06250  1.0 1.0
   56    51    55    33  -0.01100 -1.0 2.0
   56    51    55    33   0.28050  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    63   0.00000  1.0 1.0
   38    33    37    42   0.04150 -1.0 2.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33    55    51   0.06250  1.0 1.0
   38    33    55    51  -0.01100 -1.0 2.0
   38    33    55    51   0.28050  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
   42    43    37    33   4.00000 -1.0 2.0
   45    47    42    37   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   53    67    50    45   4.00000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   64    60    59    53   1.10000 -1.0 2.0
   66    65    64    59   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   66    43    67    50   4.00000 -1.0 2.0
   67    44    43    37   4.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
END
