* LIGAND DATABASE FILE (OPLS2005)
*
001      62    65    115    191     339
    1     0 S   NP   _N1_     1    28.77510    95.93634   -24.35185
    2     1 S   H    _HN1     2     1.02784   110.46042   -87.67544
    3     1 S   H    _H1_     3     1.02950    73.55005    16.23764
    4     1 S   H    _H2_     4     1.02829    34.81021  -179.83929
    5     1 S   CT   _CA1     5     1.50111   132.70301   119.07122
    6     5 S   HC   _HA1     6     1.09573   105.19899    91.52267
    7     5 S   CO3  _C1_     7     1.53788   112.46876   -28.71401
    8     7 S   O2Z  _O11     8     1.26371   115.00412   -42.34676
    9     7 S   O2Z  _O12     9     1.26241   114.95031   136.80204
   10     5 S   CT   _CB1    10     1.53083   107.42407  -150.48998
   11    10 S   HC   HB11    11     1.09832   109.37241   -49.77016
   12    10 S   HC   HB12    12     1.09813   110.44348    66.83834
   13    10 S   CT   _CG1    13     1.52988   112.60670  -170.75597
   14    13 S   HC   HG11    14     1.09583   110.61615   -65.53448
   15    13 S   HC   HG12    15     1.09670   109.79756    53.69415
   16    13 S   C    _CD1    16     1.51801   112.25402   174.14596
   17    16 S   O    _OE1    17     1.22726   123.29671     6.31336
   18    16 S   N    _N2_    18     1.38655   111.64942  -173.77704
   19    18 S   H    _HN2    19     1.01579   118.91762     1.81876
   20    18 S   CT1  _CA2    20     1.46200   123.40289   177.56201
   21    20 S   HC   _HA2    21     1.09735   109.38698     2.10171
   22    20 S   C    _C2_    22     1.53548   108.53469  -113.38170
   23    22 S   O    _O2_    23     1.23055   122.29082  -147.51882
   24    20 S   CT   _CB2    32     1.53360   111.58124   124.15011
   25    24 S   HC   HB21    33     1.09582   110.02739    56.04052
   26    24 S   HC   HB22    34     1.09412   109.98450   175.07208
   27    22 S   N    _N3_    24     1.38333   113.68853    39.88864
   28    27 S   H    _HN3    25     1.01588   119.58693    -3.27973
   29    24 S   S    _SG2    35     1.82761   111.47564   -64.86527
   30    27 S   CT   _CA3    26     1.45290   123.20677   177.14817
   31    30 S   HC   HA31    27     1.09549   107.50410   -64.68384
   32    30 S   HC   HA32    28     1.09556   107.98945    51.75431
   33    29 S   CT   _C19    36     1.84397    99.76522   171.76863
   34    33 S   HC   _H3_    37     1.09663   107.90311   -44.12296
   35    30 S   CO3  _C3_    29     1.52960   114.08272   173.75245
   36    35 S   O2Z  _O31    30     1.26376   116.06345    -0.78059
   37    35 S   O2Z  _O32    31     1.26428   114.41373   179.28236
   38    33 S   CA   _C13    38     1.51670   109.25056  -162.11355
   39    33 S   CT   _C18    60     1.52854   111.64148    74.96999
   40    39 S   HC   _H26    61     1.09477   111.72739   -49.90905
   41    39 S   HC   _H27    62     1.09818   109.99202  -168.15753
   42    38 S   CA   _C7_    39     1.40334   119.60760    84.60212
   43    42 S   HA   _H23    40     1.08761   120.34382     2.73423
   44    42 S   CA   _C6_    41     1.39158   120.55716  -176.43498
   45    44 S   HA   _H22    42     1.08676   119.12811   179.84298
   46    44 S   CA   _C11    43     1.39626   119.66777     0.73913
   47    46 S   CR3  _C8_    44     1.40680   121.12453    -0.62213
   48    46 S   CO4  _C16    56     1.48357   119.37490   179.10693
   49    48 S   O    _O17    57     1.22460   121.94492     0.89657
   50    38 S   CR3  _C9_    45     1.41453   120.24347   -92.19797
   51    50 S   CA   _C12    46     1.40831   122.12779    -4.07304
   52    51 S   CA   _C5_    47     1.39719   121.37210   177.40361
   53    52 S   HA   _H21    48     1.08684   121.16750  -179.97202
   54    51 S   CO4  _C17    58     1.48275   119.33581    -5.01028
   55    54 S   O    _O18    59     1.22603   121.13760   169.18011
   56    52 S   CA   _C4_    49     1.39210   119.71889     1.15640
   57    56 S   HA   _H20    50     1.08758   118.98192   179.56344
   58    47 S   CA   _C10    51     1.40975   121.01592   179.14043
   59    58 S   CM   _C14    52     1.46551   119.63698     0.17583
   60    59 S   HC   _H24    53     1.08523   118.46976  -179.89532
   61    59 S   CM   _C15    54     1.33738   121.41413     0.18975
   62    61 S   HC   _H25    55     1.08394   121.44390   179.90309
  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   9   5   4   3
  13   7   2   1   1  14   8   4   3   8   4   8   3  10  12   7
   3   8   7   7   4   2   1   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    50    54    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    47    50    51    54    55    39    40    41  
   38    42    50    54    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    47    50    51    52    58    54    39    40    41  
   40    41    42    50    51    52    54    55  
   41    51    54    55  
   51    54    55  
   43    44    45    46    47    50    51    48  
   44    45    46    50  
   45    46    47    50    58    61    48    49  
   46    47    48  
   47    50    51    56    58    59    61    62    48    49  
   50    51    52    56    57    58    59    60    61    48    49    54  
   49    50    58    59    60    61    62  
   59    61    62  
   51    52    53    56    58    59    54    55  
   52    53    56    57    58    54    55  
   53    56    57    58    59    54    55  
   56    57    58    54  
   55    56  
    0  
   57    58    59    60    61  
   58    59  
   59    60    61    62  
   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  -0.335000   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   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    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    39   268.000  1.529
   38    42   469.000  1.400
   38    50   490.000  1.398
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   490.000  1.398
   46    48   310.000  1.470
   47    50   490.000  1.398
   47    58   490.000  1.398
   50    51   490.000  1.398
   51    52   469.000  1.400
   51    54   310.000  1.470
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   320.000  1.460
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   340.000  1.080
   61    48   320.000  1.462
   48    49   570.000  1.229
   54    55   570.000  1.229
   54    39   317.000  1.522
   39    40   340.000  1.090
   39    41   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    50    80.00000  105.07000
   33    39    54    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    63.00000  120.00000
   38    50    47    60.00000  130.80000
   38    50    51    60.00000  130.80000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.88000
   44    46    48    60.00000  119.52600
   46    44    45    35.00000  120.00000
   46    47    50    60.00000  130.80000
   46    47    58    60.00000  130.80000
   46    48    61    65.00000  117.02400
   46    48    49    75.00000  123.78400
   47    50    51    60.00000  130.80000
   47    58    56    70.00000  112.88000
   47    58    59    60.00000  120.93500
   50    38    42    70.00000  112.88000
   50    51    52    70.00000  112.88000
   50    51    54    60.00000  119.52600
   51    52    53    35.00000  120.00000
   51    52    56    63.00000  120.00000
   51    54    55    75.00000  123.78400
   51    54    39    65.00000  115.47100
   52    56    57    35.00000  120.00000
   52    56    58    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    58    59    60.00000  120.93500
   58    47    50    60.00000  130.80000
   58    56    57    35.00000  120.00000
   58    59    60    40.00000  117.26300
   58    59    61    60.00000  123.20500
   59    61    62    35.00000  120.00000
   59    61    48    65.00000  118.96000
   61    59    60    35.00000  120.00000
   61    48    49    80.00000  123.72100
   48    46    47    60.00000  119.52600
   48    61    62    40.00000  117.72500
   54    51    52    60.00000  119.52600
   54    39    40    35.00000  109.50000
   54    39    41    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    54    55    80.00000  120.40000
   41    39    40    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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    50  -0.16000  1.0 1.0
   29    33    38    50  -0.03200 -1.0 2.0
   29    33    38    50   0.04500  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    44   3.62500 -1.0 2.0
   33    38    50    47   3.62500 -1.0 2.0
   33    38    50    51   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    50   0.00000  1.0 1.0
   34    33    39    54  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    54   0.56750  1.0 1.0
   38    33    39    54  -0.07550 -1.0 2.0
   38    33    39    54   0.20000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    46   3.62500 -1.0 2.0
   38    50    51    52   3.62500 -1.0 2.0
   38    50   -51    54   3.62500 -1.0 2.0
   42    38    50    47   3.62500 -1.0 2.0
   42    38    50    51   3.62500 -1.0 2.0
   42    44   -46    47   3.62500 -1.0 2.0
   42    44    46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46    47    50   3.62500 -1.0 2.0
   44    46    47    58   3.62500 -1.0 2.0
   44    46    48    61  -0.11500  1.0 1.0
   44    46    48    61   1.10450 -1.0 2.0
   44    46    48    61  -0.48050  1.0 3.0
   44    46    48    49   1.05000 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    47   -50    38   3.62500 -1.0 2.0
   46    47    50    51   3.62500 -1.0 2.0
   46    47    58    56   3.62500 -1.0 2.0
   46    47    58    59   3.62500 -1.0 2.0
   47    46    48    61  -0.11500  1.0 1.0
   47    46    48    61   1.10450 -1.0 2.0
   47    46    48    61  -0.48050  1.0 3.0
   47    46    48    49   1.05000 -1.0 2.0
   47    50    51    52   3.62500 -1.0 2.0
   47    50    51    54   3.62500 -1.0 2.0
   47    58    59    60   0.56550  1.0 3.0
   47    58   -59    61   0.15800  1.0 1.0
   47    58   -59    61   1.85350 -1.0 2.0
   47    58   -59    61  -0.48700  1.0 3.0
   50    38    42    43   3.62500 -1.0 2.0
   50    38   -42    44   3.62500 -1.0 2.0
   50    47    58    56   3.62500 -1.0 2.0
   50    47    58    59   3.62500 -1.0 2.0
   50    51    52    53   3.62500 -1.0 2.0
   50    51   -52    56   3.62500 -1.0 2.0
   50    51    54    55   1.05000 -1.0 2.0
   50    51    54    39   2.26350  1.0 1.0
   50    51    54    39   0.76750 -1.0 2.0
   50    51    54    39   0.22500  1.0 3.0
   51    52    56    57   3.62500 -1.0 2.0
   51    52    56    58   3.62500 -1.0 2.0
   51    54   -39    33   0.05850 -1.0 2.0
   51    54   -39    33   0.17250  1.0 3.0
   51    54    39    40   0.00000  1.0 1.0
   51    54    39    41   0.00000  1.0 1.0
   52    51    54    55   1.05000 -1.0 2.0
   52    51    54    39   2.26350  1.0 1.0
   52    51    54    39   0.76750 -1.0 2.0
   52    51    54    39   0.22500  1.0 3.0
   52    56   -58    47   3.62500 -1.0 2.0
   52    56    58    59   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    58   3.62500 -1.0 2.0
   56    58    59    60   0.56550  1.0 3.0
   56    58    59    61   0.15800  1.0 1.0
   56    58    59    61   1.85350 -1.0 2.0
   56    58    59    61  -0.48700  1.0 3.0
   57    56    58    47   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    47    50    38   3.62500 -1.0 2.0
   58    47   -50    51   3.62500 -1.0 2.0
   58    59    61    62   7.00000 -1.0 2.0
   58    59    61    48   7.00000 -1.0 2.0
   59    61   -48    46  -1.65800  1.0 1.0
   59    61   -48    46   0.77650 -1.0 2.0
   59    61    48    49   1.00000 -1.0 2.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    48   7.00000 -1.0 2.0
   62    61    48    46   1.64500 -1.0 2.0
   62    61    48    49   0.00000  1.0 1.0
   48    46    47    50   3.62500 -1.0 2.0
   48    46   -47    58   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    56   3.62500 -1.0 2.0
   55    54    39    33   0.30150 -1.0 2.0
   55    54    39    40   0.00000  1.0 1.0
   55    54    39    41   0.00000  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33   -38    50   0.04150 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    50    38    33   4.00000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   47    48    46    44   4.00000 -1.0 2.0
   50    58    47    46   4.00000 -1.0 2.0
   47    51    50    38   4.00000 -1.0 2.0
   52    54    51    50   4.00000 -1.0 2.0
   56    53    52    51   1.10000 -1.0 2.0
   58    57    56    52   1.10000 -1.0 2.0
   56    59    58    47   4.00000 -1.0 2.0
   58    60    59    61   1.10000 -1.0 2.0
   48    62    61    59   1.10000 -1.0 2.0
   46    61    48    49  10.50000 -1.0 2.0
   51    39    54    55  10.50000 -1.0 2.0
END
