* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    192     358
    1     0 S   NP   _N1_     1    29.15329    94.24687   -23.75314
    2     1 S   H    _HN1     2     1.02950    84.46636    14.74390
    3     1 S   H    _H1_     3     1.02827    24.81851   170.57882
    4     1 S   H    _H2_     4     1.02781   106.69464   -92.79078
    5     1 S   CT   _CA1     5     1.50112   130.18974   126.87680
    6     5 S   HC   _HA1     6     1.09572   105.21577    77.29398
    7     5 S   CO3  _C1_     7     1.53799   112.38613   -42.96608
    8     7 S   O2Z  _O11     8     1.26374   115.00138   -43.72425
    9     7 S   O2Z  _O12     9     1.26236   114.94316   135.38878
   10     5 S   CT   _CB1    10     1.53080   107.42351  -164.72251
   11    10 S   HC   HB11    11     1.09830   109.41656   -49.71437
   12    10 S   HC   HB12    12     1.09817   110.43209    66.89934
   13    10 S   CT   _CG1    13     1.52989   112.59159  -170.70272
   14    13 S   HC   HG11    14     1.09588   110.56651   -64.29653
   15    13 S   HC   HG12    15     1.09664   109.86312    54.94086
   16    13 S   C    _CD1    16     1.51794   112.25229   175.40023
   17    16 S   O    _OE1    17     1.22721   123.23055     4.01015
   18    16 S   N    _N2_    18     1.38625   111.61226  -176.20398
   19    18 S   H    _HN2    19     1.01570   119.03054     1.34479
   20    18 S   CT1  _CA2    20     1.46169   123.37678   178.97933
   21    20 S   HC   _HA2    21     1.09549   109.42266    -5.41023
   22    20 S   C    _C2_    22     1.53488   107.91713  -120.62194
   23    22 S   O    _O2_    23     1.23016   122.47632  -144.56191
   24    20 S   CT   _CB2    32     1.53402   111.81982   117.29843
   25    24 S   HC   HB21    33     1.09672   109.41898    65.22718
   26    24 S   HC   HB22    34     1.09501   110.72100  -177.93607
   27    22 S   N    _N3_    24     1.38436   113.41005    42.06860
   28    27 S   H    _HN3    25     1.01604   119.41951    -1.84409
   29    24 S   S    _SG2    35     1.83141   114.84472   -53.83420
   30    27 S   CT   _CA3    26     1.45277   123.20513   177.41563
   31    30 S   HC   HA31    27     1.09542   107.34932   -69.97642
   32    30 S   HC   HA32    28     1.09560   108.19118    46.49208
   33    29 S   CT   _C6_    36     1.84422   100.59543   -68.64745
   34    33 S   HC   _H4_    37     1.09192   107.88765    47.21671
   35    30 S   CO3  _C3_    29     1.52964   114.13363   168.74168
   36    35 S   O2Z  _O31    30     1.26373   116.12967     2.56300
   37    35 S   O2Z  _O32    31     1.26453   114.41985  -177.31183
   38    33 S   CT   _C7_    38     1.52661   112.36563   169.25492
   39    38 S   HC   _H5_    39     1.09742   108.65196  -160.76085
   40    38 S   CO   _C8_    40     1.52211   102.39880    81.96184
   41    40 S   HC   _H6_    41     1.09452   111.96862   -83.41360
   42    38 S   OH   _O35    67     1.41490   113.91624   -41.08637
   43    42 S   HO   _H12    68     0.97224   107.85791  -179.43455
   44    40 S   N*   _N4_    42     1.45496   113.90793   154.02379
   45    40 S   OS   _O33    57     1.43924   106.22083    33.05768
   46    44 S   CN   _C9_    43     1.37091   127.27295   -78.66275
   47    33 S   CT   _C5_    58     1.53471   110.56653   -78.20275
   48    47 S   HC   _H3_    59     1.09560   112.64197    27.01628
   49    46 S   CB   _C10    44     1.37377   105.10376   179.37193
   50    47 S   CT   _C4_    60     1.53208   112.21277   149.18400
   51    50 S   HC   _H7_    61     1.09788   109.24084   169.61651
   52    50 S   HC   _H8_    62     1.09708   110.21239    51.49097
   53    49 S   C    _C11    45     1.43908   119.26951   179.78878
   54    53 S   O    _O34    46     1.22500   124.07133  -180.00000
   55    49 S   NNA  _N8_    54     1.36120   112.01025    -0.71737
   56    50 S   OS   _O36    63     1.42388   108.78071   -70.16700
   57    53 S   NNB  _N5_    47     1.39852   111.24787     0.10653
   58    57 S   H    _H9_    48     1.01375   117.07529  -179.97202
   59    44 S   CRAB _C13    55     1.38229   126.32762    99.29211
   60    59 S   Br   Br1_    56     1.88151   126.55545    -0.30901
   61    56 S   PR   _P1_    64     1.62145   116.43790   169.41740
   62    61 S   OM   _O38    65     1.64184    98.32758    73.77988
   63    61 S   OM   _O37    66     1.64024    97.66374   173.03936
   64    57 S   CDX  _C12    49     1.40634   124.93550     0.12511
   65    46 S   NNC  _N6_    50     1.35203   126.94682    -0.43521
   66    64 S   NND  _N7_    51     1.36674   115.85554   179.86294
   67    66 S   H    _H10    52     1.01530   120.31284   179.80719
   68    66 S   H    _H11    53     1.01252   122.27685     0.08393
  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   8   2   1   1  12   7  14   6   4   1  10   8  10   6   4
   9   6   3   2   8   4   4   3   6   3   2   1   2   1   1   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    50    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    47    48    50    51    52    56    42    43  
   38    39    40    45    47    48    50    42  
   36    37  
   37  
    0  
   39    40    41    44    46    59    45    47    48    50    42    43  
   40    41    44    45    47    42    43  
   41    44    46    49    65    55    59    60    45    47    48    50    42    43  
   44    46    59    45    47    42  
   43    44    45    47  
    0  
   46    49    53    64    65    55    59    60    45    47  
   47    48    50    51    52    56    46    59  
   49    53    54    57    64    65    66    55    59    60  
   48    50    51    52    56    61  
   50    51    52    56  
   53    54    57    58    64    65    55    59    60  
   51    52    56    61    62    63  
   52    56    61  
   56    61  
   54    57    58    64    65    66    55    59  
   57    58    64    55  
   59    60    57    65  
   61    62    63  
   58    64    65    66    67    68  
   64    65    66  
   60    65  
    0  
   62    63  
   63  
    0  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.205000   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   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   56   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   57   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0800   0.600000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   61   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   64   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   65   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   66   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.400000   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    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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   275.000  1.479
   40    45   320.000  1.380
   44    46   436.000  1.374
   44    59   440.000  1.371
   46    49   520.000  1.370
   46    65   461.000  1.354
   49    53   447.000  1.419
   49    55   414.000  1.391
   53    54   570.000  1.229
   53    57   418.000  1.388
   57    58   434.000  1.010
   57    64   427.000  1.381
   64    65   585.000  1.311
   64    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   55    59   529.000  1.304
   59    60   300.000  1.903
   45    47   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   320.000  1.410
   56    61   325.000  1.672
   61    62   325.000  1.672
   61    63   325.000  1.672
   42    43   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    47    45    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  125.80000
   40    44    59    70.00000  128.80000
   40    45    47    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    49    70.00000  106.20000
   44    46    65    70.00000  126.20000
   44    59    55    70.00000  113.90000
   44    59    60    65.00000  117.00000
   46    49    53    85.00000  119.20000
   46    49    55    70.00000  110.40000
   46    65    64    70.00000  112.20000
   49    53    54    80.00000  128.80000
   49    53    57    70.00000  111.30000
   49    55    59    70.00000  103.80000
   53    57    58    35.00000  116.80000
   53    57    64    70.00000  125.20000
   57    53    54    80.00000  120.60000
   57    64    65    70.00000  123.30000
   57    64    66    70.00000  116.00000
   64    57    58    35.00000  118.00000
   64    66    67    35.00000  120.00000
   64    66    68    35.00000  120.00000
   65    46    49    70.00000  127.70000
   66    64    65    70.00000  119.30000
   68    66    67    35.00000  120.00000
   55    49    53    70.00000  130.00000
   55    59    60    65.00000  117.00000
   59    44    46    70.00000  105.40000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    47    48    35.00000  109.50000
   45    47    50    50.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    56    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    56    61   100.00000  120.50000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    61    62    45.00000  102.60000
   56    61    63    45.00000  102.60000
   63    61    62    35.00000   94.00000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    56   0.62750  1.0 1.0
   33    47    50    56  -0.30950 -1.0 2.0
   33    47    50    56   0.27300  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    47    45   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    45   0.62750  1.0 1.0
   38    33   -47    45  -0.30950 -1.0 2.0
   38    33   -47    45   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    59   1.10250  1.0 1.0
   38    40    44    59   0.01650 -1.0 2.0
   38    40    44    59   0.39100  1.0 3.0
   38    40   -45    47   0.06250  1.0 1.0
   38    40   -45    47  -0.01100 -1.0 2.0
   38    40   -45    47   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    46    49   0.81400  1.0 1.0
   40    44    46    49   1.55550 -1.0 2.0
   40    44    46    65   3.62500 -1.0 2.0
   40    44    59    55   3.62500 -1.0 2.0
   40    44    59    60   3.62500 -1.0 2.0
   40    45   -47    33   0.06250  1.0 1.0
   40    45   -47    33  -0.01100 -1.0 2.0
   40    45   -47    33   0.28050  1.0 3.0
   40    45    47    48   0.37050  1.0 3.0
   40    45    47    50   0.06250  1.0 1.0
   40    45    47    50  -0.01100 -1.0 2.0
   40    45    47    50   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    59   0.00000  1.0 1.0
   41    40    45    47   0.37050  1.0 3.0
   44    40    45    47  -2.37750  1.0 1.0
   44    40    45    47  -0.08150 -1.0 2.0
   44    40    45    47   0.59000  1.0 3.0
   44    46    49    53   3.62500 -1.0 2.0
   44    46   -49    55   3.62500 -1.0 2.0
   44    46    65    64   1.25000 -1.0 2.0
   46    44   -59    55   3.62500 -1.0 2.0
   46    44    59    60   3.62500 -1.0 2.0
   46    49    53    54   1.05000 -1.0 2.0
   46    49    53    57   1.50000 -1.0 2.0
   46    49   -55    59   3.62500 -1.0 2.0
   49    46    65    64   3.62500 -1.0 2.0
   49    53    57    58   1.52500 -1.0 2.0
   49    53   -57    64   1.52500 -1.0 2.0
   49    55   -59    44   3.62500 -1.0 2.0
   49    55    59    60   3.62500 -1.0 2.0
   53    49    55    59   3.62500 -1.0 2.0
   53    57    64    65   3.62500 -1.0 2.0
   53    57    64    66   3.62500 -1.0 2.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    64   3.04450 -1.0 2.0
   57    64   -65    46   3.62500 -1.0 2.0
   57    64    66    67   1.01500 -1.0 2.0
   57    64    66    68   1.01500 -1.0 2.0
   58    57    64    65   3.62500 -1.0 2.0
   58    57    64    66   3.62500 -1.0 2.0
   65    46   -49    53   3.62500 -1.0 2.0
   65    46    49    55   3.62500 -1.0 2.0
   65    64    66    67   0.70000 -1.0 2.0
   65    64    66    68   0.70000 -1.0 2.0
   66    64    65    46   3.62500 -1.0 2.0
   55    49    53    54   0.41000 -1.0 2.0
   55    49    53    57   5.37500 -1.0 2.0
   59    44   -46    49   0.70250  1.0 1.0
   59    44   -46    49   1.56150 -1.0 2.0
   59    44    46    65   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    59   0.10350  1.0 1.0
   45    40    44    59  -0.15350 -1.0 2.0
   45    47    50    51   0.23400  1.0 3.0
   45    47    50    52   0.23400  1.0 3.0
   45    47    50    56   1.11900  1.0 1.0
   45    47    50    56  -1.16350 -1.0 2.0
   45    47    50    56  -0.34150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40   3.97050  1.0 1.0
   47    33    38    42   0.86500  1.0 1.0
   47    33    38    42  -0.17500 -1.0 2.0
   47    33    38    42   0.20800  1.0 3.0
   47    50    56    61  -2.65550  1.0 1.0
   47    50    56    61  -0.22350 -1.0 2.0
   47    50    56    61   0.24150  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   50    56    61    62   0.05050  1.0 1.0
   50    56    61    62  -1.30700 -1.0 2.0
   50    56    61    62   0.91550  1.0 3.0
   50    56    61    63   0.05050  1.0 1.0
   50    56    61    63  -1.30700 -1.0 2.0
   50    56    61    63   0.91550  1.0 3.0
   51    50    56    61   0.03000  1.0 3.0
   52    50    56    61   0.03000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
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
   46    59    44    40   4.00000 -1.0 2.0
   49    65    46    44   4.00000 -1.0 2.0
   53    55    49    46   4.00000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    53    57    64   1.00000 -1.0 2.0
   57    66    64    65  10.50000 -1.0 2.0
   68    64    66    67   1.00000 -1.0 2.0
   55    60    59    44   4.00000 -1.0 2.0
END
