* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    112    172     329
    1     0 S   NP   _N1_     1    28.86091    96.74157   -24.44370
    2     1 S   H    _HN1     2     1.02782   116.33029  -118.50171
    3     1 S   H    _H1_     3     1.02951    72.09641   -16.40626
    4     1 S   H    _H2_     4     1.02832    35.16125   157.68448
    5     1 S   CT   _CA1     5     1.50121   127.46989    85.96679
    6     5 S   HC   _HA1     6     1.09571   105.20340    95.04600
    7     5 S   CO3  _C1_     7     1.53791   112.36580   -25.21221
    8     7 S   O2Z  _O11     8     1.26374   115.00025   -43.89520
    9     7 S   O2Z  _O12     9     1.26227   114.95308   135.16710
   10     5 S   CT   _CB1    10     1.53082   107.42384  -146.95932
   11    10 S   HC   HB11    11     1.09833   109.42093   -49.39514
   12    10 S   HC   HB12    12     1.09812   110.43752    67.21418
   13    10 S   CT   _CG1    13     1.53004   112.59982  -170.34408
   14    13 S   HC   HG11    14     1.09580   110.64836   -64.97320
   15    13 S   HC   HG12    15     1.09670   109.79304    54.25334
   16    13 S   C    _CD1    16     1.51802   112.16803   174.75648
   17    16 S   O    _OE1    17     1.22759   123.33369     7.68288
   18    16 S   N    _N2_    18     1.38580   111.76685  -172.38122
   19    18 S   H    _HN2    19     1.01606   119.21591    -0.11869
   20    18 S   CT1  _CA2    20     1.46043   122.67230   178.81188
   21    20 S   HC   _HA2    21     1.09721   108.42886    33.82062
   22    20 S   C    _C2_    22     1.53287   110.15776   -82.91799
   23    22 S   O    _O2_    23     1.23135   121.04356   158.59397
   24    20 S   CT   _CB2    32     1.53100   111.69282   156.70702
   25    24 S   HC   HB21    33     1.09508   109.88175    56.31441
   26    24 S   HC   HB22    34     1.09462   109.78980   175.11048
   27    22 S   N    _N3_    24     1.38132   114.57012   -28.23208
   28    27 S   H    _HN3    25     1.01584   119.44428     4.46669
   29    24 S   S    _SG2    35     1.82698   111.68478   -65.06026
   30    27 S   CT   _CA3    26     1.45248   123.22303  -177.40309
   31    30 S   HC   HA31    27     1.09548   108.17145   -49.02597
   32    30 S   HC   HA32    28     1.09463   107.40329    67.47295
   33    29 S   CT   _C13    36     1.84798    99.20834   177.82804
   34    33 S   HC   _H4_    37     1.09084   103.83163    46.76736
   35    30 S   CO3  _C3_    29     1.52911   114.11481  -171.11221
   36    35 S   O2Z  _O31    30     1.26363   116.06937     4.62461
   37    35 S   O2Z  _O32    31     1.26431   114.43380  -175.49307
   38    33 S   CM   _C12    38     1.51396   109.46657   -71.34390
   39    38 S   HC   _H9_    39     1.09298   114.41962   -48.48529
   40    33 S   CM   _C14    59     1.52459   109.96985   163.68210
   41    40 S   Cl   Cl1_    60     1.75256   115.22126    67.27031
   42    38 S   CMA  _C11    40     1.35705   129.51343   129.33406
   43    42 S   OM   _O36    41     1.26344   126.83989  -176.85359
   44    40 S   CMA  _C15    61     1.35606   122.88939  -113.41940
   45    44 S   OM   _O35    62     1.26435   132.51351     0.39958
   46    42 S   CT   _C10    42     1.56749   120.17275     4.14992
   47    46 S   HC   _H3_    43     1.10040   103.79406    26.72786
   48    44 S   CO3  _C16    63     1.55976   115.54256  -179.89165
   49    48 S   O2Z  _O34    64     1.26777   115.34957    90.37689
   50    48 S   O2Z  _O33    65     1.26802   115.28305   -89.04828
   51    46 S   CA   _C9_    44     1.54097   111.83967   -86.00790
   52    46 S   CT   _C17    55     1.57888   119.01747   138.51413
   53    52 S   Cl   Cl2_    56     1.80780   111.15124   -49.69228
   54    52 S   Cl   Cl3_    57     1.79842   114.87047    73.77828
   55    52 S   Cl   Cl4_    58     1.81875   110.43538  -166.31819
   56    51 S   CA   _C4_    45     1.40715   119.47221   124.45899
   57    56 S   HA   _H5_    46     1.08828   120.32865     0.17132
   58    56 S   CA   _C5_    47     1.39620   121.11404  -179.32420
   59    58 S   HA   _H6_    48     1.08649   119.36602   179.73386
   60    58 S   CA   _C6_    49     1.39162   119.65994     0.01978
   61    60 S   Cl   Cl5_    50     1.72141   119.77589  -180.00000
   62    60 S   CA   _C7_    51     1.39238   120.33203    -0.07133
   63    62 S   HA   _H7_    52     1.08678   120.87694   179.78150
   64    51 S   CA   _C8_    53     1.40382   122.40994   -54.97193
   65    64 S   HA   _H8_    54     1.08655   120.86568    -0.29936
  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
  11   6   2   1   1  10   4   7   3  10   4   4   3  12   7   2
   1   1  13   5   2   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    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    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    48  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    51    52    40    41    44  
   42    43    46    40  
   41    44    45    48    49    50    42  
   44    45    48  
   43    46    47    51    56    64    52    53    54    55  
   46    47    51    52  
   45    48    49    50  
   48    49    50  
   47    51    56    57    58    62    64    65    52    53    54    55  
   51    56    64    52    53    54    55  
   49    50  
   50  
    0  
   56    57    58    59    60    62    63    64    65    52    53    54    55  
   53    54    55    56    64  
   54    55  
   55  
    0  
   57    58    59    60    61    62    64    65  
   58    59    60    64  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65  
   64    65  
   65  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.481200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660   0.313400   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   53   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   54   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   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   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    51   317.000  1.510
   46    52   268.000  1.529
   51    56   469.000  1.400
   51    64   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   300.000  1.725
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   52    53   245.000  1.781
   52    54   245.000  1.781
   52    55   245.000  1.781
   40    41   300.000  1.725
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    48   230.000  1.545
   48    49   656.000  1.250
   48    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    75.00000  111.02000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    51    70.00000  112.99600
   42    46    52    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    51    56    70.00000  120.00000
   46    51    64    70.00000  120.00000
   46    52    53    69.00000  109.80000
   46    52    54    69.00000  109.80000
   46    52    55    69.00000  109.80000
   51    46    47    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    58    63.00000  120.00000
   51    64    62    63.00000  120.00000
   51    64    65    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    75.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    75.00000  120.00000
   62    64    65    35.00000  120.00000
   64    51    56    63.00000  120.00000
   64    62    63    35.00000  120.00000
   52    46    47    37.50000  110.70000
   52    46    51    70.00000  112.17500
   54    52    53    80.00000  110.42200
   55    52    53    80.00000  110.42200
   55    52    54    80.00000  110.42200
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    48    55.00000  124.75400
   44    40    41    60.00000  123.80000
   44    48    49    85.00000  113.83300
   44    48    50    85.00000  113.83300
   48    44    45    65.00000  121.00000
   50    48    49    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.09700  1.0 1.0
   29    33    40    41   0.15600 -1.0 2.0
   29    33    40    41  -0.50800  1.0 3.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    48   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.09700  1.0 1.0
   38    33    40    41   0.15600 -1.0 2.0
   38    33    40    41  -0.50800  1.0 3.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    51   1.44450  1.0 1.0
   38    42    46    51   0.06600 -1.0 2.0
   38    42    46    51   0.29250  1.0 3.0
   38    42    46    52   0.09850  1.0 1.0
   38    42    46    52   0.15250 -1.0 2.0
   38    42    46    52  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    51    56   0.18050 -1.0 2.0
   42    46    51    64   0.18050 -1.0 2.0
   42    46    52    53   0.56750  1.0 1.0
   42    46    52    53  -0.07550 -1.0 2.0
   42    46    52    53   0.20000  1.0 3.0
   42    46    52    54   0.56750  1.0 1.0
   42    46    52    54  -0.07550 -1.0 2.0
   42    46    52    54   0.20000  1.0 3.0
   42    46    52    55   0.56750  1.0 1.0
   42    46    52    55  -0.07550 -1.0 2.0
   42    46    52    55   0.20000  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    51   0.09700  1.0 1.0
   43    42    46    51   0.15600 -1.0 2.0
   43    42    46    51  -0.50800  1.0 3.0
   43    42    46    52   0.09700  1.0 1.0
   43    42    46    52   0.15600 -1.0 2.0
   43    42    46    52  -0.50800  1.0 3.0
   46    51    56    57   3.62500 -1.0 2.0
   46    51    56    58   3.62500 -1.0 2.0
   46    51    64    62   3.62500 -1.0 2.0
   46    51    64    65   3.62500 -1.0 2.0
   47    46    51    56   0.00000  1.0 1.0
   47    46    51    64   0.00000  1.0 1.0
   47    46    52    53   0.27000  1.0 3.0
   47    46    52    54   0.27000  1.0 3.0
   47    46    52    55   0.27000  1.0 3.0
   51    46    52    53   0.56750  1.0 1.0
   51    46    52    53  -0.07550 -1.0 2.0
   51    46    52    53   0.20000  1.0 3.0
   51    46    52    54   0.56750  1.0 1.0
   51    46    52    54  -0.07550 -1.0 2.0
   51    46    52    54   0.20000  1.0 3.0
   51    46    52    55   0.56750  1.0 1.0
   51    46    52    55  -0.07550 -1.0 2.0
   51    46    52    55   0.20000  1.0 3.0
   51    56    58    59   3.62500 -1.0 2.0
   51    56    58    60   3.62500 -1.0 2.0
   56    51    64    62   3.62500 -1.0 2.0
   56    51    64    65   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62   -64    51   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   63    62    64    51   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    51    56    57   3.62500 -1.0 2.0
   64    51   -56    58   3.62500 -1.0 2.0
   52    46    51    56   0.04150 -1.0 2.0
   52    46    51    64   0.04150 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    48    49  -0.04000 -1.0 2.0
   40    44    48    49  -0.29050  1.0 3.0
   40    44    48    50  -0.04000 -1.0 2.0
   40    44    48    50  -0.29050  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    48   7.00000 -1.0 2.0
   45    44    48    49   1.68800 -1.0 2.0
   45    44    48    50   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   56    64    51    46   4.00000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   4.00000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    51   1.10000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   48    45    44    40  15.00000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
END
