* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    100    159     294
    1     0 S   NP   _N1_     1    29.31564    95.77499   -18.84151
    2     1 S   H    _HN1     2     1.02960    99.33769    43.89377
    3     1 S   H    _H1_     3     1.02840    41.89588   149.09840
    4     1 S   H    _H2_     4     1.02782    71.69134   -62.39710
    5     1 S   CT   _CA1     5     1.50076   145.87300  -165.18402
    6     5 S   HC   _HA1     6     1.09586   105.25308    28.33067
    7     5 S   CO3  _C1_     7     1.53915   112.32482   -91.69719
    8     7 S   O2Z  _O11     8     1.26329   115.11620   -47.25931
    9     7 S   O2Z  _O12     9     1.26252   114.86543   132.03557
   10     5 S   CT   _CB1    10     1.53151   107.40899   145.97296
   11    10 S   HC   HB11    11     1.09808   109.45943   -53.00548
   12    10 S   HC   HB12    12     1.09767   110.33443    63.44723
   13    10 S   CT   _CG1    13     1.52908   112.48384  -174.18062
   14    13 S   HC   HG11    14     1.09470   110.03577   -58.60112
   15    13 S   HC   HG12    15     1.09626   110.18668    60.17067
   16    13 S   C    _CD1    16     1.51859   112.53863  -179.50111
   17    16 S   O    _OE1    17     1.22687   123.22518   -17.24409
   18    16 S   N    _N2_    18     1.38506   111.51904   163.92562
   19    18 S   H    _HN2    19     1.01640   118.72579    -0.13270
   20    18 S   CT1  _CA2    20     1.46198   124.10328  -179.94405
   21    20 S   HC   _HA2    21     1.09720   109.42479   -17.73538
   22    20 S   C    _C2_    22     1.53473   107.62444  -133.28755
   23    22 S   O    _O2_    23     1.22990   122.41327  -143.83519
   24    20 S   CT   _CB2    32     1.53466   111.18784   105.00848
   25    24 S   HC   HB21    33     1.09384   109.52403    49.46201
   26    24 S   HC   HB22    34     1.09496   110.77268   167.76926
   27    22 S   N    _N3_    24     1.38556   113.23687    43.38416
   28    27 S   H    _HN3    25     1.01532   118.92441    -0.41684
   29    24 S   S    _SG2    35     1.83004   111.68906   -73.85134
   30    27 S   CT   _CA3    26     1.45448   123.39741   175.17132
   31    30 S   HC   HA31    27     1.09527   109.15553    25.61817
   32    30 S   HC   HA32    28     1.09492   107.12556   142.62189
   33    29 S   CT   _C12    36     1.84359   101.52716   139.91450
   34    33 S   Cl   Cl3_    37     1.80740   108.69334   168.04279
   35    30 S   CO3  _C3_    29     1.52945   113.23223   -97.79718
   36    35 S   O2Z  _O31    30     1.26395   115.47396   -42.24747
   37    35 S   O2Z  _O32    31     1.26366   114.93574   138.70046
   38    33 S   CO4  _C13    38     1.53297   108.55972    55.24824
   39    38 S   O    _O33    39     1.23212   123.05889    52.56384
   40    38 S   CM   _C14    40     1.48100   118.82092  -128.20383
   41    40 S   HC   _H5_    41     1.08488   116.86754  -178.22635
   42    40 S   CM   _C15    42     1.33810   120.51635     1.86760
   43    42 S   Cl   Cl2_    43     1.74024   117.45117  -179.79252
   44    42 S   CM   _C10    44     1.46349   123.69844    -0.00000
   45    44 S   CA   _C8_    45     1.49276   121.64983   179.67797
   46    33 S   CM   _C11    56     1.51399   111.99358   -71.72096
   47    46 S   Cl   Cl4_    57     1.75554   115.20393   -56.43767
   48    45 S   CA   _C9_    46     1.41035   120.88820    92.92109
   49    48 S   Cl   Cl1_    47     1.73297   121.73774    -1.15995
   50    48 S   CA   _C4_    48     1.39824   120.88347   178.87187
   51    50 S   HA   _H3_    49     1.08760   120.26755  -179.50111
   52    50 S   CA   _C5_    50     1.39251   119.69745     0.39614
   53    52 S   Cl   Cl6_    51     1.72212   119.69938  -179.80317
   54    52 S   CA   _C6_    52     1.39251   120.59481     0.52265
   55    54 S   HA   _H4_    53     1.08775   119.98092   179.77971
   56    45 S   CA   _C7_    54     1.40980   120.90056   -86.96018
   57    56 S   Cl   Cl5_    55     1.73210   121.82793     1.55746
  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   8   5   4   3
  10   6   2   1   1   8   4   6   3   7   3   9  11   3   1   8
   4   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47  
   38    39    40    44    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    48    56    46    47  
   44    45    46  
   45    48    49    50    54    56    57    46    47  
   48    49    50    51    52    54    55    56    57    46    47  
   47    48    56  
    0  
   49    50    51    52    53    54    56    57  
   50    51    52    56  
   51    52    53    54    55    56  
   52    53    54  
   53    54    55    56    57  
   54    55    56  
   55    56    57  
   56    57  
   57  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   48   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   245.000  1.781
   33    38   317.000  1.522
   33    46   317.000  1.510
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   300.000  1.725
   42    44   380.000  1.444
   44    45   320.000  1.460
   44    46   549.000  1.340
   45    48   469.000  1.400
   45    56   469.000  1.400
   48    49   300.000  1.725
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   300.000  1.725
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   300.000  1.725
   46    47   300.000  1.725
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    85.00000  110.65400
   29    33    38    75.00000  110.18000
   29    33    46    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    46    44    70.00000  124.00000
   33    46    47    75.00000  111.02000
   38    33    34    70.00000  110.66000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  123.01800
   42    40    41    35.00000  120.00000
   42    44    45    60.00000  123.66000
   42    44    46    70.00000  123.01800
   44    42    43    75.00000  121.50000
   44    45    48    60.00000  118.70000
   44    45    56    60.00000  118.70000
   44    46    47    75.00000  121.50000
   45    48    49    75.00000  120.00000
   45    48    50    63.00000  120.00000
   45    56    54    63.00000  120.00000
   45    56    57    75.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    75.00000  120.00000
   50    52    53    75.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    75.00000  120.00000
   54    56    57    75.00000  120.00000
   56    45    48    63.00000  120.00000
   56    54    55    35.00000  120.00000
   46    33    34    75.00000  111.90500
   46    33    38    70.00000  109.06800
   46    44    45    60.00000  123.66000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    46    44   0.09700  1.0 1.0
   34    33    46    44   0.15600 -1.0 2.0
   34    33    46    44  -0.50800  1.0 3.0
   34    33    46    47   0.09700  1.0 1.0
   34    33    46    47   0.15600 -1.0 2.0
   34    33    46    47  -0.50800  1.0 3.0
   38    33    46    44  -0.51250  1.0 1.0
   38    33    46    44  -0.88800 -1.0 2.0
   38    33    46    44   0.08850  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    44    45  -0.18600  1.0 3.0
   40    42    44    46   0.28850  1.0 1.0
   40    42    44    46   2.61350 -1.0 2.0
   40    42    44    46   0.78400  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    48   0.15800  1.0 1.0
   42    44    45    48   1.85350 -1.0 2.0
   42    44    45    48  -0.48700  1.0 3.0
   42    44    45    56   0.15800  1.0 1.0
   42    44    45    56   1.85350 -1.0 2.0
   42    44    45    56  -0.48700  1.0 3.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   1.08500 -1.0 2.0
   43    42    44    46  -0.18600  1.0 3.0
   44    45    48    49   3.62500 -1.0 2.0
   44    45    48    50   3.62500 -1.0 2.0
   44    45    56    54   3.62500 -1.0 2.0
   44    45    56    57   3.62500 -1.0 2.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    52   3.62500 -1.0 2.0
   48    45    56    54   3.62500 -1.0 2.0
   48    45    56    57   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50   -52    54   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54   -56    45   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   55    54    56    45   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   56    45    48    49   3.62500 -1.0 2.0
   56    45   -48    50   3.62500 -1.0 2.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   0.65300  1.0 1.0
   46    33   -38    40  -0.03850 -1.0 2.0
   46    33   -38    40   0.33900  1.0 3.0
   46    44    45    48   0.15800  1.0 1.0
   46    44    45    48   1.85350 -1.0 2.0
   46    44    45    48  -0.48700  1.0 3.0
   46    44    45    56   0.15800  1.0 1.0
   46    44    45    56   1.85350 -1.0 2.0
   46    44    45    56  -0.48700  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    56    45    44   4.00000 -1.0 2.0
   50    49    48    45   4.00000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   54    53    52    50   4.00000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   54    57    56    45   4.00000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
END
