* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    103    161     303
    1     0 S   NP   _N1_     1    31.63061    99.92674   -20.15954
    2     1 S   H    _HN1     2     1.02729    73.18665   118.77852
    3     1 S   H    _H1_     3     1.03476   171.48382  -144.57592
    4     1 S   H    _H2_     4     1.02844    64.29806  -121.83389
    5     1 S   CT   _CA1     5     1.50171    74.65644     0.75666
    6     5 S   HC   _HA1     6     1.09513   104.93538   121.06051
    7     5 S   CO3  _C1_     7     1.53849   113.24569     0.49297
    8     7 S   O2Z  _O11     8     1.26461   115.04770   -25.46323
    9     7 S   O2Z  _O12     9     1.26226   115.28223   154.13359
   10     5 S   CT   _CB1    10     1.53067   107.42329  -120.26257
   11    10 S   HC   HB11    11     1.09579   109.50928   -37.75922
   12    10 S   HC   HB12    12     1.09836   110.27327    77.77715
   13    10 S   CT   _CG1    13     1.53351   112.98127  -160.57307
   14    13 S   HC   HG11    14     1.09550   110.72234   -99.19204
   15    13 S   HC   HG12    15     1.09628   111.84503    20.21323
   16    13 S   C    _CD1    16     1.51504   109.85202   140.45854
   17    16 S   O    _OE1    17     1.22772   122.21575    98.91112
   18    16 S   N    _N2_    18     1.38396   112.21831   -78.55999
   19    18 S   H    _HN2    19     1.01962   118.91303    -4.51128
   20    18 S   CT1  _CA2    20     1.45902   123.46922   173.93408
   21    20 S   HC   _HA2    21     1.09659   108.75211    31.65360
   22    20 S   C    _C2_    22     1.53207   108.53936   -85.28772
   23    22 S   O    _O2_    23     1.23100   121.22228   151.04972
   24    20 S   CT   _CB2    32     1.53163   111.69355   155.25653
   25    24 S   HC   HB21    33     1.09643   109.96816    60.92330
   26    24 S   HC   HB22    34     1.09588   110.34265   178.44480
   27    22 S   N    _N3_    24     1.38394   114.23246   -36.58845
   28    27 S   H    _HN3    25     1.01609   119.22998     2.69602
   29    24 S   S    _SG2    35     1.82611   111.54261   -61.44094
   30    27 S   CT   _CA3    26     1.45232   123.37378  -177.35810
   31    30 S   HC   HA31    27     1.09555   108.14400   -47.60750
   32    30 S   HC   HA32    28     1.09549   107.28781    68.75875
   33    29 S   CM   _C15    36     1.75657    99.11425   145.51759
   34    30 S   CO3  _C3_    29     1.53030   114.32472  -169.71602
   35    34 S   O2Z  _O31    30     1.26426   116.34502     3.87035
   36    34 S   O2Z  _O32    31     1.26432   114.40014  -176.39223
   37    33 S   CM   _C14    37     1.46156   113.56695    92.54818
   38    37 S   HC   _H8_    38     1.08777   115.57815    52.99509
   39    33 S   CMA  _C16    58     1.35952   123.75649   -89.26589
   40    39 S   OM   _O36    59     1.26614   132.61467  -178.35813
   41    37 S   CM   _C13    39     1.34103   123.86562  -125.32735
   42    41 S   HC   _H7_    40     1.08470   121.15612    -0.36369
   43    39 S   CO3  _C17    60     1.56450   116.17517     1.40709
   44    43 S   O2Z  _O35    61     1.26934   115.28204    88.33648
   45    43 S   O2Z  _O34    62     1.26720   115.44268   -90.75710
   46    41 S   CO4  _C12    41     1.48663   120.19410   179.38898
   47    46 S   O    _O33    42     1.22567   123.16606    -5.56229
   48    46 S   CM   _C10    43     1.50011   114.79089   173.39010
   49    48 S   CA   _C9_    44     1.47940   117.96277   -55.56194
   50    48 S   CM   _C11    55     1.34943   119.22322   127.42845
   51    50 S   Cl   Cl1_    56     1.73844   123.27826    -4.82105
   52    50 S   Cl   Cl2_    57     1.74132   122.46883   176.09736
   53    49 S   CA   _C4_    45     1.40272   121.01824   112.09703
   54    53 S   HA   _H3_    46     1.08772   120.65283     0.34718
   55    53 S   CA   _C5_    47     1.39600   120.37198  -179.15050
   56    55 S   HA   _H4_    48     1.08668   119.39015   179.90309
   57    55 S   CA   _C6_    49     1.39402   119.72717     0.17471
   58    57 S   Cl   Cl3_    50     1.72195   119.75032  -179.98022
   59    57 S   CA   _C7_    51     1.39412   120.49964     0.09279
   60    59 S   HA   _H5_    52     1.08670   120.87318   179.75055
   61    49 S   CA   _C8_    53     1.40182   119.68065   -66.59174
   62    61 S   HA   _H6_    54     1.08785   120.64207    -0.81277
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  10   2   1   1   9   4   5   3   6   3   2   1   1   8   3  10
  12   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    39    40    43    44    45  
   35    36  
   36  
    0  
   38    41    42    46    47    48    39    40    43  
   41    42    46    39  
   40    43    44    45    41  
   43    44    45  
   42    46    47    48    49    50  
   46    47    48  
   44    45  
   45  
    0  
   47    48    49    53    61    50    51    52  
   48    49    50  
   49    53    54    55    59    61    62    50    51    52  
   53    54    55    56    57    59    60    61    62    50    51    52  
   51    52    53    61  
   52  
    0  
   54    55    56    57    58    59    61    62  
   55    56    57    61  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62  
   59    60    61  
   60    61    62  
   61    62  
   62  
    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   3.5500   0.0760  -0.593700   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   52   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   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    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   240.000  1.763
   33    37   380.000  1.444
   33    39   465.000  1.376
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    46   320.000  1.462
   46    47   570.000  1.229
   46    48   320.000  1.462
   48    49   320.000  1.460
   48    50   549.000  1.340
   49    53   469.000  1.400
   49    61   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   300.000  1.725
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   50    51   300.000  1.725
   50    52   300.000  1.725
   39    40   745.000  1.250
   39    43   230.000  1.545
   43    44   656.000  1.250
   43    45   656.000  1.250
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    39    65.00000  122.11800
   33    37    38    35.00000  120.00000
   33    37    41    70.00000  123.01800
   33    39    40    65.00000  137.10300
   33    39    43    55.00000  124.75400
   37    41    42    35.00000  120.00000
   37    41    46    65.00000  118.96000
   41    37    38    35.00000  120.00000
   41    46    47    80.00000  123.72100
   41    46    48    65.00000  118.65900
   46    41    42    40.00000  117.72500
   46    48    49    75.00000  114.44000
   46    48    50    65.00000  118.96000
   48    46    47    80.00000  123.72100
   48    49    53    60.00000  120.93500
   48    49    61    60.00000  120.93500
   48    50    51    75.00000  121.50000
   48    50    52    75.00000  121.50000
   49    53    54    35.00000  120.00000
   49    53    55    63.00000  120.00000
   49    61    59    63.00000  120.00000
   49    61    62    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    75.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    75.00000  120.00000
   59    61    62    35.00000  120.00000
   61    49    53    63.00000  120.00000
   61    59    60    35.00000  120.00000
   50    48    49    60.00000  123.20500
   52    50    51    78.00000  111.70000
   39    33    37    70.00000  117.34000
   39    43    44    85.00000  113.83300
   39    43    45    85.00000  113.83300
   43    39    40    65.00000  121.00000
   45    43    44    80.00000  126.00000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    39   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41  -0.18600  1.0 3.0
   29    33    39    40   7.00000 -1.0 2.0
   29    33    39    43   7.00000 -1.0 2.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    46   7.00000 -1.0 2.0
   33    39    43    44  -0.04000 -1.0 2.0
   33    39    43    44  -0.29050  1.0 3.0
   33    39    43    45  -0.04000 -1.0 2.0
   33    39    43    45  -0.29050  1.0 3.0
   37    33    39    40   7.00000 -1.0 2.0
   37    33    39    43   7.00000 -1.0 2.0
   37    41    46    47   1.00000 -1.0 2.0
   37    41    46    48  -1.18350  1.0 1.0
   37    41    46    48   1.45950 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    46   7.00000 -1.0 2.0
   41    46    48    49   1.50000 -1.0 2.0
   41    46    48    50  -1.18350  1.0 1.0
   41    46    48    50   1.45950 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.93700 -1.0 2.0
   46    48    49    53  -0.01750  1.0 1.0
   46    48    49    53  -0.32000 -1.0 2.0
   46    48    49    53   0.00600  1.0 3.0
   46    48    49    61  -0.01750  1.0 1.0
   46    48    49    61  -0.32000 -1.0 2.0
   46    48    49    61   0.00600  1.0 3.0
   46    48    50    51   7.00000 -1.0 2.0
   46    48    50    52   7.00000 -1.0 2.0
   47    46    48    49  -0.52200  1.0 1.0
   47    46    48    49   0.82950 -1.0 2.0
   47    46    48    50   1.00000 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    55   3.62500 -1.0 2.0
   48    49    61    59   3.62500 -1.0 2.0
   48    49    61    62   3.62500 -1.0 2.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   49    53    55    56   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   53    49    61    59   3.62500 -1.0 2.0
   53    49    61    62   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    59   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    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59   -61    49   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   60    59    61    49   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    49    53    54   3.62500 -1.0 2.0
   61    49   -53    55   3.62500 -1.0 2.0
   50    48    49    53   0.15800  1.0 1.0
   50    48    49    53   1.85350 -1.0 2.0
   50    48    49    53  -0.48700  1.0 3.0
   50    48    49    61   0.15800  1.0 1.0
   50    48    49    61   1.85350 -1.0 2.0
   50    48    49    61  -0.48700  1.0 3.0
   39    33    37    38  -0.18600  1.0 3.0
   39    33    37    41   0.28850  1.0 1.0
   39    33    37    41   2.61350 -1.0 2.0
   39    33    37    41   0.78400  1.0 3.0
   40    39    43    44   1.68800 -1.0 2.0
   40    39    43    45   1.68800 -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
   35    30    34    36  10.50000 -1.0 2.0
   29    37    33    39  15.00000 -1.0 2.0
   33    38    37    41  15.00000 -1.0 2.0
   46    42    41    37  15.00000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   46    49    48    50  15.00000 -1.0 2.0
   53    61    49    48   4.00000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   4.00000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    62    61    49   1.10000 -1.0 2.0
   51    52    50    48  15.00000 -1.0 2.0
   43    40    39    33  15.00000 -1.0 2.0
   44    39    43    45  10.50000 -1.0 2.0
END
