* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    122    191     352
    1     0 S   NP   _N1_     1    28.77565    95.07225   -20.90442
    2     1 S   H    _HN1     2     1.02779    85.90595   -82.10546
    3     1 S   H    _H1_     3     1.02959    88.93789    26.35663
    4     1 S   H    _H2_     4     1.02838    35.30982   148.56279
    5     1 S   CT   _CA1     5     1.50121   145.99489   152.95082
    6     5 S   HC   _HA1     6     1.09566   105.25728    56.48406
    7     5 S   CO3  _C1_     7     1.53830   112.37128   -63.84294
    8     7 S   O2Z  _O11     8     1.26377   115.00730   -42.84219
    9     7 S   O2Z  _O12     9     1.26232   114.95140   136.38635
   10     5 S   CT   _CB1    10     1.53096   107.44129   174.53973
   11    10 S   HC   HB11    11     1.09823   109.51296   -49.25083
   12    10 S   HC   HB12    12     1.09830   110.31747    67.35234
   13    10 S   CT   _CG1    13     1.53020   112.66610  -170.30848
   14    13 S   HC   HG11    14     1.09600   110.40203   -61.14620
   15    13 S   HC   HG12    15     1.09633   110.08326    58.12913
   16    13 S   C    _CD1    16     1.51797   112.22826   178.60717
   17    16 S   O    _OE1    17     1.22725   123.23994    -4.61550
   18    16 S   N    _N2_    18     1.38633   111.64150   175.19902
   19    18 S   H    _HN2    19     1.01584   119.05629     2.47496
   20    18 S   CT1  _CA2    20     1.46298   123.34622  -176.18089
   21    20 S   HC   _HA2    21     1.09724   109.42354   -11.61825
   22    20 S   C    _C2_    22     1.53370   108.52813  -127.59101
   23    22 S   O    _O2_    23     1.23019   122.19200  -146.23986
   24    20 S   CT   _CB2    32     1.53637   111.13963   110.31204
   25    24 S   HC   HB21    33     1.09384   108.75184    57.43876
   26    24 S   HC   HB22    34     1.09463   110.26085   176.10549
   27    22 S   N    _N3_    24     1.38486   113.39316    41.08646
   28    27 S   H    _HN3    25     1.01527   118.89875    -0.59347
   29    24 S   S    _SG2    35     1.83120   111.03537   -63.88882
   30    27 S   CT   _CA3    26     1.45449   123.48281   175.18904
   31    30 S   HC   HA31    27     1.09520   109.28511    23.46662
   32    30 S   HC   HA32    28     1.09497   107.11155   140.47630
   33    29 S   CT   _C17    36     1.86217   102.65389   168.19779
   34    30 S   CO3  _C3_    29     1.52917   113.07519  -100.04482
   35    34 S   O2Z  _O31    30     1.26405   115.38522   -44.86686
   36    34 S   O2Z  _O32    31     1.26352   114.99548   136.06165
   37    33 S   CA   _C10    37     1.51952   114.09165   -46.84059
   38    33 S   C    _C16    48     1.56991   104.31718    62.47020
   39    38 S   O    _O18    49     1.22322   126.75549    59.12239
   40    33 S   CA   _C11    54     1.54938   112.44595  -175.65828
   41    37 S   CA   _C4_    38     1.38483   130.90562   -65.65253
   42    41 S   HA   _H25    39     1.08356   121.86622     0.64801
   43    40 S   CA   _C8_    55     1.41367   119.75017  -134.29445
   44    43 S   HA   _H29    56     1.08719   120.82045     0.39515
   45    41 S   CA   _C5_    40     1.40045   118.64975  -179.90721
   46    45 S   HA   _H26    41     1.08846   118.75116  -179.65908
   47    43 S   CA   _C15    57     1.39653   121.58481  -179.15281
   48    47 S   Cl   CL24    58     1.72243   119.80491  -179.49720
   49    45 S   CA   _C12    42     1.41116   121.36819     0.20936
   50    47 S   CA   _C7_    59     1.38634   120.45666     0.85065
   51    50 S   HA   _H28    60     1.08654   121.05939   179.86878
   52    49 S   CA   _C9_    43     1.39998   119.59871    -1.06661
   53    52 S   HA   _H30    44     1.08525   121.22908  -178.55436
   54    49 S   CT   _C19    50     1.50264   119.98165  -178.87552
   55    54 S   F    _F20    51     1.36219   113.13725   -34.47839
   56    54 S   F    _F21    52     1.36132   112.26942    85.41490
   57    54 S   F    _F22    53     1.36226   113.31322  -154.61222
   58    50 S   CA   _C6_    61     1.39271   119.43672     0.68041
   59    58 S   HA   _H27    62     1.08592   117.24954   178.68552
   60    37 S   CA   _C13    45     1.39548   109.65601   113.83019
   61    40 S   CA   _C14    63     1.42174   122.98509    49.07259
   62    60 S   N    _N17    46     1.38755   110.33295    -1.64616
   63    62 S   H    _H34    47     1.01259   124.02629  -178.71427
   64    61 S   OS   _O19    64     1.37215   117.01545     0.33338
   65    64 S   CT   _C18    65     1.42186   118.53061  -174.80676
   66    65 S   HC   _H31    66     1.09397   107.55272   176.30525
   67    65 S   HC   _H32    67     1.09486   111.28193    58.62556
   68    65 S   HC   _H33    68     1.09461   111.03500   -66.13367
  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
  17   2   1   1  15   9   4  13   8   4   8   4   9   3   6   3
   8   5   3   8   3   4   2   1   1   4   2   2   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    60    62    38    39    40    43    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    52    60    62    63    38    39    40    43    44    47    58    61    64  
   35    36  
   36  
    0  
   41    42    45    46    49    52    53    60    62    63    38    39    40    43    61  
   39    40    43    61    41    52    60    62    63  
   40    60    62    63  
   43    44    47    48    50    58    59    61    64    65    41    60    62  
   42    45    46    49    52    60    62    54  
   45    46    49    60  
   44    47    48    50    51    58    61    64  
   47    48    50    61  
   46    49    52    53    60    54    55    56    57  
   49    52    54  
   48    50    51    58    59    61  
   50    51    58  
   52    53    60    62    54    55    56    57  
   51    58    59    61    64  
   58    59    61  
   53    60    62    63    54    55    56    57  
   60    62    54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    61    64    65  
   61    64  
   62    63  
   64    65    66    67    68  
   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   0.397500   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   56   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   57   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    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    38   317.000  1.522
   33    40   317.000  1.510
   37    41   469.000  1.400
   37    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   317.000  1.510
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    62   360.000  1.404
   62    63   434.000  1.010
   62    38   490.000  1.335
   38    39   570.000  1.229
   54    55   367.000  1.332
   54    56   367.000  1.332
   54    57   367.000  1.332
   40    43   469.000  1.400
   40    61   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   300.000  1.725
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    64   450.000  1.364
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    38    70.00000  112.33000
   29    33    40    80.00000  109.48900
   33    37    41    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    38    62    70.00000  116.60000
   33    38    39    80.00000  120.40000
   33    40    43    70.00000  120.00000
   33    40    61    70.00000  120.00000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    60    52    63.00000  120.00000
   37    60    62    70.00000  119.01900
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    52    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    60    63.00000  120.00000
   49    54    55    50.00000  109.50000
   49    54    56    50.00000  109.50000
   49    54    57    50.00000  109.50000
   52    60    62    70.00000  119.01900
   60    37    41    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    62    63    45.00000  118.23600
   60    62    38    65.00000  121.96500
   62    38    39    80.00000  122.90000
   38    33    37    70.00000  109.44300
   38    62    63    35.00000  119.80000
   54    49    52    70.00000  120.00000
   56    54    55    77.00000  109.10000
   57    54    55    77.00000  109.10000
   57    54    56    77.00000  109.10000
   40    33    37    70.00000  112.04700
   40    33    38    70.00000  109.44300
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    61    58    63.00000  120.00000
   40    61    64    70.00000  120.00000
   43    47    48    75.00000  120.00000
   43    47    50    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   50    47    48    75.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    61    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    61    64    70.00000  120.00000
   61    40    43    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    64    65    75.00000  111.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    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  -0.23050  1.0 1.0
   24    29    33    40   0.06200 -1.0 2.0
   24    29    33    40   0.47200  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    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    38    62   0.00000  1.0 1.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    43  -0.16000  1.0 1.0
   29    33    40    43  -0.03200 -1.0 2.0
   29    33    40    43   0.04500  1.0 3.0
   29    33    40    61  -0.16000  1.0 1.0
   29    33    40    61  -0.03200 -1.0 2.0
   29    33    40    61   0.04500  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    60    52   3.62500 -1.0 2.0
   33    37   -60    62   3.62500 -1.0 2.0
   33    40    43    44   3.62500 -1.0 2.0
   33    40    43    47   3.62500 -1.0 2.0
   33    40    61    58   3.62500 -1.0 2.0
   33    40    61    64   3.62500 -1.0 2.0
   37    33   -38    62   0.00000  1.0 1.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    43   0.04300 -1.0 2.0
   37    33    40    61   0.04300 -1.0 2.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    49   3.62500 -1.0 2.0
   37    60    62    63   0.97800 -1.0 2.0
   37    60   -62    38   1.00100  1.0 1.0
   37    60   -62    38   0.85050 -1.0 2.0
   41    37    60    52   3.62500 -1.0 2.0
   41    37    60    62   3.62500 -1.0 2.0
   41    45   -49    52   3.62500 -1.0 2.0
   41    45    49    54   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    60   3.62500 -1.0 2.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    56   0.00000  1.0 1.0
   45    49    54    57   0.00000  1.0 1.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -60    37   3.62500 -1.0 2.0
   49    52    60    62   3.62500 -1.0 2.0
   52    49    54    55   0.00000  1.0 1.0
   52    49    54    56   0.00000  1.0 1.0
   52    49    54    57   0.00000  1.0 1.0
   52    60    62    63   0.97800 -1.0 2.0
   52    60    62    38   1.00100  1.0 1.0
   52    60    62    38   0.85050 -1.0 2.0
   53    52    60    37   3.62500 -1.0 2.0
   53    52    60    62   3.62500 -1.0 2.0
   60    37    41    42   3.62500 -1.0 2.0
   60    37   -41    45   3.62500 -1.0 2.0
   60    62   -38    33   0.76000  1.0 1.0
   60    62   -38    33   4.11600 -1.0 2.0
   60    62    38    39   0.04000 -1.0 2.0
   63    62    38    33   2.45000 -1.0 2.0
   63    62    38    39   2.45000 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33   -37    60   0.04300 -1.0 2.0
   38    33    40    43   0.04300 -1.0 2.0
   38    33    40    61   0.04300 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    60   3.62500 -1.0 2.0
   40    33    37    41   0.04300 -1.0 2.0
   40    33    37    60   0.04300 -1.0 2.0
   40    33    38    62   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    50   3.62500 -1.0 2.0
   40    61    64    65   1.63200 -1.0 2.0
   43    40    61    58   3.62500 -1.0 2.0
   43    40    61    64   3.62500 -1.0 2.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47   -50    58   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    50   3.62500 -1.0 2.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    61   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    58   3.62500 -1.0 2.0
   50    58   -61    40   3.62500 -1.0 2.0
   50    58    61    64   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    61   3.62500 -1.0 2.0
   58    61    64    65   1.63200 -1.0 2.0
   59    58    61    40   3.62500 -1.0 2.0
   59    58    61    64   3.62500 -1.0 2.0
   61    40    43    44   3.62500 -1.0 2.0
   61    40   -43    47   3.62500 -1.0 2.0
   61    64    65    66   0.08050  1.0 3.0
   61    64    65    67   0.08050  1.0 3.0
   61    64    65    68   0.08050  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   41    60    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   60    53    52    49   1.10000 -1.0 2.0
   52    62    60    37   4.00000 -1.0 2.0
   63    38    62    60   1.00000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
   43    61    40    33   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   50    48    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   61    59    58    50   1.10000 -1.0 2.0
   58    64    61    40   4.00000 -1.0 2.0
END
