* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    109    163     320
    1     0 S   NP   _N1_     1    28.76932    95.30019   -24.93882
    2     1 S   H    _HN1     2     1.02828    31.13238  -177.73670
    3     1 S   H    _H1_     3     1.02793   115.28552   -94.93193
    4     1 S   H    _H2_     4     1.02948    76.17703     9.10882
    5     1 S   CT   _CA1     5     1.50121   126.64833   114.46892
    6     5 S   HC   _HA1     6     1.09573   105.17207    90.07522
    7     5 S   CO3  _C1_     7     1.53777   112.43638   -30.14481
    8     7 S   O2Z  _O11     8     1.26376   115.00927   -43.18046
    9     7 S   O2Z  _O12     9     1.26235   114.94451   135.83976
   10     5 S   CT   _CB1    10     1.53063   107.40509  -151.96154
   11    10 S   HC   HB11    11     1.09839   109.35461   -49.41382
   12    10 S   HC   HB12    12     1.09810   110.47116    67.18918
   13    10 S   CT   _CG1    13     1.53009   112.62071  -170.34958
   14    13 S   HC   HG11    14     1.09574   110.70192   -66.61180
   15    13 S   HC   HG12    15     1.09669   109.72658    52.63355
   16    13 S   C    _CD1    16     1.51809   112.05390   173.11168
   17    16 S   O    _OE1    17     1.22752   123.20618    10.62508
   18    16 S   N    _N2_    18     1.38629   111.78679  -169.38778
   19    18 S   H    _HN2    19     1.01574   119.03906     1.13401
   20    18 S   CT1  _CA2    20     1.46245   123.43739   177.34627
   21    20 S   HC   _HA2    21     1.09740   109.25800     7.80265
   22    20 S   C    _C2_    22     1.53686   108.99445  -107.76487
   23    22 S   O    _O2_    23     1.23090   122.22665  -149.68150
   24    20 S   CT   _CB2    32     1.53455   111.53485   129.75018
   25    24 S   HC   HB21    33     1.09500   109.55181    57.34261
   26    24 S   HC   HB22    34     1.09404   109.70686   176.06657
   27    22 S   N    _N3_    24     1.38312   113.91741    37.85994
   28    27 S   H    _HN3    25     1.01541   119.60949    -3.25378
   29    24 S   S    _SG2    35     1.83305   111.04583   -64.28160
   30    27 S   CT   _CA3    26     1.45278   123.27155   177.18763
   31    30 S   HC   HA31    27     1.09547   107.51525   -64.79050
   32    30 S   HC   HA32    28     1.09556   107.99231    51.66428
   33    29 S   CT   _C5_    36     1.88306   101.85808   171.41288
   34    33 S   OM   _O35    37     1.31714   108.59507   -62.83653
   35    30 S   CO3  _C3_    29     1.52972   114.05237   173.67550
   36    35 S   O2Z  _O31    30     1.26381   116.08274    -0.04846
   37    35 S   O2Z  _O32    31     1.26425   114.41410  -180.00000
   38    33 S   CT   _C6_    38     1.58357   111.23189    58.56040
   39    38 S   HC   _H3_    39     1.09978   109.23760   -66.01401
   40    33 S   S    _S1_    59     1.87774   107.11924   178.47325
   41    38 S   CT   _C7_    40     1.56705   117.77857   171.81736
   42    41 S   HC   _H4_    41     1.09639   109.89396   -64.22613
   43    38 S   NTH2 _N4_    56     1.48608   110.45131    49.68154
   44    43 S   H    _H14    57     1.01872   108.93381   -56.43619
   45    43 S   H    _H15    58     1.01951   108.72232  -172.86298
   46    40 S   CT   _C4_    60     1.81703   102.37862    66.90325
   47    46 S   HC   _H5_    61     1.09390   108.26940  -178.00345
   48    46 S   HC   _H6_    62     1.09281   111.21408    63.87695
   49    46 S   HC   _H7_    63     1.09211   111.62115   -59.56398
   50    41 S   CA   _C8_    42     1.51452   116.26048    60.96405
   51    41 S   OH   _O34    54     1.44217   108.27006  -178.59779
   52    51 S   HO   _H13    55     0.97250   107.70101  -171.22551
   53    50 S   CA   _C9_    43     1.40349   120.10034  -117.84010
   54    53 S   HA   _H8_    44     1.08725   120.39038     0.76770
   55    53 S   CA   _C10    45     1.39574   120.61509  -179.62832
   56    55 S   HA   _H9_    46     1.08610   119.83276  -179.71061
   57    55 S   CA   _C11    47     1.39125   119.64289     0.14265
   58    57 S   CA   _C12    48     1.39224   120.75544     0.07662
   59    58 S   HA   _H10    49     1.08582   121.04328  -180.00000
   60    57 S   OH   _O33    52     1.36642   118.20306  -179.97202
   61    60 S   HO   _H12    53     0.97231   108.46841   179.08400
   62    50 S   CA   _C13    50     1.40479   121.10834    62.91556
   63    62 S   HA   _H11    51     1.08732   120.21937    -0.52489
  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
  15   6   2   1   1  13   8   6  13   6   4   1   1   3   2   1
   1  11   3   1   8   4   7   3   6   5   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    51    43    44    45    40    46    47    48    49  
   38    39    41    43    40    46  
   36    37  
   37  
    0  
   39    41    42    50    53    62    51    52    43    44    45    40    46  
   41    42    50    51    43    44    45    40  
   46    47    48    49    41    43  
   42    50    53    54    55    58    62    63    51    52    43    44    45  
   50    53    62    51    52    43  
   44    45    50    51  
   45  
    0  
   47    48    49  
   48    49  
   49  
    0  
   53    54    55    56    57    58    59    62    63    51    52  
   52    53    62  
    0  
   54    55    56    57    58    62    63    60  
   55    56    57    62  
   56    57    58    59    62    60    61  
   57    58    60  
   58    59    62    63    60    61  
   59    62    63    60    61  
   62    63    60  
   61    62  
    0  
   63  
    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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   570.000  1.307
   33    38   268.000  1.529
   33    40   222.000  1.810
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   300.000  1.468
   41    42   340.000  1.090
   41    50   317.000  1.510
   41    51   320.000  1.410
   50    53   469.000  1.400
   50    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   450.000  1.364
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   60    61   553.000  0.945
   51    52   553.000  0.945
   43    44   495.000  1.019
   43    45   495.000  1.019
   40    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    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  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    80.00000  112.76400
   33    40    46    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    50    70.00000  112.17500
   38    41    51    50.00000  109.50000
   38    43    44    50.00000  110.30900
   38    43    45    50.00000  110.30900
   41    38    39    37.50000  110.70000
   41    50    53    70.00000  120.00000
   41    50    62    70.00000  120.00000
   41    51    52    55.00000  108.50000
   50    41    42    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    55    63.00000  120.00000
   50    62    58    63.00000  120.00000
   50    62    63    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    62    63.00000  120.00000
   57    60    61    35.00000  113.00000
   58    62    63    35.00000  120.00000
   62    50    53    63.00000  120.00000
   62    58    59    35.00000  120.00000
   60    57    58    70.00000  120.00000
   51    41    42    35.00000  109.50000
   51    41    50    90.00000  112.51600
   43    38    39    50.00000  110.79000
   43    38    41    80.00000  112.76400
   45    43    44    40.00000  106.77200
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  111.63000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   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
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    46   0.08500  1.0 1.0
   29    33    40    46  -0.53150 -1.0 2.0
   29    33    40    46   0.48050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    50  -0.03700  1.0 1.0
   33    38    41    50   0.37200 -1.0 2.0
   33    38    41    50  -0.47300  1.0 3.0
   33    38    41    51   0.86500  1.0 1.0
   33    38    41    51  -0.17500 -1.0 2.0
   33    38    41    51   0.20800  1.0 3.0
   33    38    43    44   0.21650  1.0 1.0
   33    38    43    44   0.26250 -1.0 2.0
   33    38    43    44   0.12450  1.0 3.0
   33    38    43    45   0.21650  1.0 1.0
   33    38    43    45   0.26250 -1.0 2.0
   33    38    43    45   0.12450  1.0 3.0
   33    40    46    47   0.32350  1.0 3.0
   33    40    46    48   0.32350  1.0 3.0
   33    40    46    49   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    43   3.18800  1.0 1.0
   34    33    38    43  -1.12350 -1.0 2.0
   34    33    40    46   0.13850  1.0 1.0
   34    33    40    46  -1.34450 -1.0 2.0
   34    33    40    46   0.57400  1.0 3.0
   38    33    40    46   0.01700  1.0 1.0
   38    33    40    46  -0.23550 -1.0 2.0
   38    33    40    46   0.21350  1.0 3.0
   38    41    50    53   0.04150 -1.0 2.0
   38    41    50    62   0.04150 -1.0 2.0
   38    41    51    52  -0.11600  1.0 1.0
   38    41    51    52  -0.09450 -1.0 2.0
   38    41    51    52   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    50   0.43200  1.0 3.0
   39    38    41    51   0.23400  1.0 3.0
   39    38    43    44   0.20000  1.0 3.0
   39    38    43    45   0.20000  1.0 3.0
   41    38    43    44   0.21650  1.0 1.0
   41    38    43    44   0.26250 -1.0 2.0
   41    38    43    44   0.12450  1.0 3.0
   41    38    43    45   0.21650  1.0 1.0
   41    38    43    45   0.26250 -1.0 2.0
   41    38    43    45   0.12450  1.0 3.0
   41    50    53    54   3.62500 -1.0 2.0
   41    50    53    55   3.62500 -1.0 2.0
   41    50    62    58   3.62500 -1.0 2.0
   41    50    62    63   3.62500 -1.0 2.0
   42    41    50    53   0.00000  1.0 1.0
   42    41    50    62   0.00000  1.0 1.0
   42    41    51    52   0.19450  1.0 3.0
   50    41    51    52   0.31900  1.0 1.0
   50    41    51    52  -0.11800 -1.0 2.0
   50    41    51    52   0.38750  1.0 3.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    57   3.62500 -1.0 2.0
   53    50    62    58   3.62500 -1.0 2.0
   53    50    62    63   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    62   3.62500 -1.0 2.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -62    50   3.62500 -1.0 2.0
   57    58    62    63   3.62500 -1.0 2.0
   58    57    60    61   0.84100 -1.0 2.0
   59    58    62    50   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    50    53    54   3.62500 -1.0 2.0
   62    50   -53    55   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    62   3.62500 -1.0 2.0
   51    41    50    53   0.14300 -1.0 2.0
   51    41    50    53   0.00300  1.0 3.0
   51    41    50    62   0.14300 -1.0 2.0
   51    41    50    62   0.00300  1.0 3.0
   43    38    41    42   0.15000  1.0 3.0
   43    38    41    50   0.83750  1.0 1.0
   43    38    41    50   0.32200 -1.0 2.0
   43    38    41    50   0.70600  1.0 3.0
   43    38    41    51   5.28650  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.44750  1.0 1.0
   40    33    38    41  -0.17800 -1.0 2.0
   40    33    38    41   0.20200  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  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
   53    62    50    41   4.00000 -1.0 2.0
   55    54    53    50   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   62    59    58    57   1.10000 -1.0 2.0
   58    63    62    50   1.10000 -1.0 2.0
END
