* LIGAND DATABASE FILE (OPLS2005)
*
001      57    59    110    184     326
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02031   104.49886   -34.35612
    3     1 S   H    _H1_     3     1.02067    68.41414    70.32497
    4     1 S   H    _H2_     4     1.02060    44.55454  -136.42507
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08639   110.48971    58.92616
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CM   _C6_    36     1.71078   100.25397   161.84521
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.34482   127.07532   -89.98966
   38    37 S   Cl   CL13    38     1.69616   128.46958    -0.23070
   39    33 S   CT   _C11    51     1.53846   126.31006    93.90159
   40    39 S   Cl   CL14    52     1.75347   115.09465   -23.98002
   41    37 S   CT   _C12    39     1.52120   107.72454  -176.63681
   42    41 S   Cl   CL15    40     1.75265   116.18002  -159.97385
   43    41 S   CT   _C13    53     1.55845    98.84681   -35.99977
   44    43 S   Cl   CL16    54     1.81554   113.87789   171.37493
   45    43 S   Cl   CL17    55     1.78230   115.88275   -66.98686
   46    41 S   CT   _C8_    41     1.56595   103.95034    72.23461
   47    46 S   HC   _H20    42     1.09771   111.20721    49.62892
   48    46 S   CM   _C4_    43     1.49327   119.85371   177.29079
   49    48 S   HC   _H18    44     1.08014   123.69361   -64.19956
   50    48 S   CM   _C5_    45     1.33592   112.53423   117.93109
   51    50 S   HC   _H19    46     1.08153   123.65246   178.38154
   52    50 S   CT   _C9_    47     1.49471   112.98684    -1.68307
   53    52 S   HC   _H21    48     1.09598   108.89693   115.80938
   54    46 S   CT   _C10    49     1.58164   102.48783   -68.61433
   55    54 S   HC   _H22    50     1.10086   108.70436   114.94532
   56    52 S   OH   _O33    56     1.41068   109.87758  -126.04465
   57    56 S   HO   _H23    57     0.97335   107.33754   -60.05754
  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   8   5   4   3
  13   2   1   1  12   5  15   8  12   7   8   3   2  10   6   8
   4   7   4   5   4   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    54    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    52    54    55    39    40    43    44    45  
   35    36  
   36  
    0  
   38    41    42    46    47    48    54    39    40    43    44    45  
   41    42    46    39    43  
   40    43    44    45    56    41    42    46    47    48    50    52    53    54    55  
   43    44    45    41    46    52    54    55  
   42    46    47    48    49    50    52    54    55    43    44    45  
   46    47    48    54    43    44    45  
   44    45    46    47    48    52    54    55  
   45    46    54  
   46    54  
   47    48    49    50    51    52    53    54    55    56  
   48    49    50    52    54    55  
   49    50    51    52    53    54    55    56  
   50    51    52    54  
   51    52    53    54    55    56    57  
   52    53    54    56  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57  
   56  
   57  
    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   0.007500   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   44   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   45   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   549.000  1.340
   33    39   317.000  1.510
   37    38   300.000  1.725
   37    41   317.000  1.510
   41    42   245.000  1.781
   41    46   268.000  1.529
   41    43   268.000  1.529
   46    47   340.000  1.090
   46    48   317.000  1.510
   46    54   268.000  1.529
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   320.000  1.410
   54    55   340.000  1.090
   54    39   268.000  1.529
   39    40   245.000  1.781
   39    43   268.000  1.529
   43    44   245.000  1.781
   43    45   245.000  1.781
   56    57   553.000  0.945
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  117.37300
   33    37    38    75.00000  121.50000
   33    37    41    70.00000  124.00000
   33    39    54    70.00000  112.02700
   33    39    40    75.00000  111.90500
   33    39    43    70.00000  112.02700
   37    41    42    75.00000  111.90500
   37    41    46    70.00000  112.02700
   37    41    43    70.00000  112.02700
   41    37    38    75.00000  111.02000
   41    46    47    37.50000  110.70000
   41    46    48    70.00000  112.02700
   41    46    54    58.35000  112.70000
   41    43    39    58.35000  112.70000
   41    43    44    69.00000  109.80000
   41    43    45    69.00000  109.80000
   46    41    42    69.00000  109.80000
   46    48    49    35.00000  117.00000
   46    48    50    70.00000  124.00000
   46    54    52    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    39    58.35000  112.70000
   48    46    47    35.00000  109.50000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    56    90.00000  110.39200
   52    50    51    35.00000  117.00000
   52    54    55    37.50000  110.70000
   52    54    39    58.35000  112.70000
   52    56    57    55.00000  108.50000
   54    46    47    37.50000  110.70000
   54    46    48    70.00000  112.02700
   54    52    53    37.50000  110.70000
   54    39    40    69.00000  109.80000
   54    39    43    58.35000  112.70000
   39    33    37    70.00000  124.00000
   39    54    55    37.50000  110.70000
   39    43    44    69.00000  109.80000
   39    43    45    69.00000  109.80000
   43    41    42    69.00000  109.80000
   43    41    46    58.35000  112.70000
   43    39    40    69.00000  109.80000
   45    43    44    80.00000  110.42200
   56    52    53    35.00000  109.50000
   56    52    54    50.00000  109.50000
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   7.00000 -1.0 2.0
   29    33    37    41   7.00000 -1.0 2.0
   29    33    39    54   0.09700  1.0 1.0
   29    33    39    54   0.15600 -1.0 2.0
   29    33    39    54  -0.50800  1.0 3.0
   29    33    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    43   0.09700  1.0 1.0
   29    33    39    43   0.15600 -1.0 2.0
   29    33    39    43  -0.50800  1.0 3.0
   33    37    41    42   0.09700  1.0 1.0
   33    37    41    42   0.15600 -1.0 2.0
   33    37    41    42  -0.50800  1.0 3.0
   33    37    41    46   0.09850  1.0 1.0
   33    37    41    46   0.15250 -1.0 2.0
   33    37    41    46  -0.50650  1.0 3.0
   33    37   -41    43   0.09850  1.0 1.0
   33    37   -41    43   0.15250 -1.0 2.0
   33    37   -41    43  -0.50650  1.0 3.0
   33    39   -43    41   0.34400  1.0 1.0
   33    39   -43    41   0.09450 -1.0 2.0
   33    39   -43    41   0.11100  1.0 3.0
   33    39    43    44   0.56750  1.0 1.0
   33    39    43    44  -0.07550 -1.0 2.0
   33    39    43    44   0.20000  1.0 3.0
   33    39    43    45   0.56750  1.0 1.0
   33    39    43    45  -0.07550 -1.0 2.0
   33    39    43    45   0.20000  1.0 3.0
   37    33    39    54   0.09850  1.0 1.0
   37    33    39    54   0.15250 -1.0 2.0
   37    33    39    54  -0.50650  1.0 3.0
   37    33    39    40   0.09700  1.0 1.0
   37    33    39    40   0.15600 -1.0 2.0
   37    33    39    40  -0.50800  1.0 3.0
   37    33   -39    43   0.09850  1.0 1.0
   37    33   -39    43   0.15250 -1.0 2.0
   37    33   -39    43  -0.50650  1.0 3.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.31000  1.0 1.0
   37    41    46    48   0.14700 -1.0 2.0
   37    41    46    48   0.07550  1.0 3.0
   37    41   -46    54   0.34400  1.0 1.0
   37    41   -46    54   0.09450 -1.0 2.0
   37    41   -46    54   0.11100  1.0 3.0
   37    41   -43    39   0.34400  1.0 1.0
   37    41   -43    39   0.09450 -1.0 2.0
   37    41   -43    39   0.11100  1.0 3.0
   37    41    43    44   0.56750  1.0 1.0
   37    41    43    44  -0.07550 -1.0 2.0
   37    41    43    44   0.20000  1.0 3.0
   37    41    43    45   0.56750  1.0 1.0
   37    41    43    45  -0.07550 -1.0 2.0
   37    41    43    45   0.20000  1.0 3.0
   38    37    41    42   0.09700  1.0 1.0
   38    37    41    42   0.15600 -1.0 2.0
   38    37    41    42  -0.50800  1.0 3.0
   38    37    41    46   0.09700  1.0 1.0
   38    37    41    46   0.15600 -1.0 2.0
   38    37    41    46  -0.50800  1.0 3.0
   38    37    41    43   0.09700  1.0 1.0
   38    37    41    43   0.15600 -1.0 2.0
   38    37    41    43  -0.50800  1.0 3.0
   41    46    48    49   0.00000  1.0 1.0
   41    46    48    50   0.09850  1.0 1.0
   41    46    48    50   0.15250 -1.0 2.0
   41    46    48    50  -0.50650  1.0 3.0
   41    46    54    52   0.56750  1.0 1.0
   41    46    54    52  -0.07550 -1.0 2.0
   41    46    54    52   0.20000  1.0 3.0
   41    46    54    55   0.15000  1.0 3.0
   41    46   -54    39   0.56750  1.0 1.0
   41    46   -54    39  -0.07550 -1.0 2.0
   41    46   -54    39   0.20000  1.0 3.0
   42    41    46    47   0.27000  1.0 3.0
   42    41    46    48   0.56750  1.0 1.0
   42    41    46    48  -0.07550 -1.0 2.0
   42    41    46    48   0.20000  1.0 3.0
   42    41    46    54   0.35600  1.0 1.0
   42    41    46    54  -0.14650 -1.0 2.0
   42    41    46    54   0.33350  1.0 3.0
   42    41    43    39   0.35600  1.0 1.0
   42    41    43    39  -0.14650 -1.0 2.0
   42    41    43    39   0.33350  1.0 3.0
   42    41    43    44   0.22500  1.0 1.0
   42    41    43    45   0.22500  1.0 1.0
   46    41   -43    39   0.56750  1.0 1.0
   46    41   -43    39  -0.07550 -1.0 2.0
   46    41   -43    39   0.20000  1.0 3.0
   46    41    43    44   0.35600  1.0 1.0
   46    41    43    44  -0.14650 -1.0 2.0
   46    41    43    44   0.33350  1.0 3.0
   46    41    43    45   0.35600  1.0 1.0
   46    41    43    45  -0.14650 -1.0 2.0
   46    41    43    45   0.33350  1.0 3.0
   46    48    50    51   7.00000 -1.0 2.0
   46    48   -50    52   7.00000 -1.0 2.0
   46    54   -39    33   0.34400  1.0 1.0
   46    54   -39    33   0.09450 -1.0 2.0
   46    54   -39    33   0.11100  1.0 3.0
   46    54    39    40   0.35600  1.0 1.0
   46    54    39    40  -0.14650 -1.0 2.0
   46    54    39    40   0.33350  1.0 3.0
   46    54   -39    43   0.56750  1.0 1.0
   46    54   -39    43  -0.07550 -1.0 2.0
   46    54   -39    43   0.20000  1.0 3.0
   47    46    48    49   0.33100  1.0 3.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    54    52   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    39   0.15000  1.0 3.0
   48    46   -54    52   0.34400  1.0 1.0
   48    46   -54    52   0.09450 -1.0 2.0
   48    46   -54    52   0.11100  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    39   0.34400  1.0 1.0
   48    46    54    39   0.09450 -1.0 2.0
   48    46    54    39   0.11100  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50   -52    54   0.09850  1.0 1.0
   48    50   -52    54   0.15250 -1.0 2.0
   48    50   -52    54  -0.50650  1.0 3.0
   48    50    52    56   0.67800  1.0 1.0
   48    50    52    56   0.47050 -1.0 2.0
   48    50    52    56  -0.62500  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    52   -54    46   0.34400  1.0 1.0
   50    52   -54    46   0.09450 -1.0 2.0
   50    52   -54    46   0.11100  1.0 3.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    39   0.34400  1.0 1.0
   50    52    54    39   0.09450 -1.0 2.0
   50    52    54    39   0.11100  1.0 3.0
   50    52    56    57  -0.07800  1.0 1.0
   50    52    56    57  -0.21500 -1.0 2.0
   50    52    56    57  -0.03150  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   52    54    39    33   0.34400  1.0 1.0
   52    54    39    33   0.09450 -1.0 2.0
   52    54    39    33   0.11100  1.0 3.0
   52    54    39    40   0.35600  1.0 1.0
   52    54    39    40  -0.14650 -1.0 2.0
   52    54    39    40   0.33350  1.0 3.0
   52    54    39    43   0.56750  1.0 1.0
   52    54    39    43  -0.07550 -1.0 2.0
   52    54    39    43   0.20000  1.0 3.0
   53    52    54    46   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    39   0.15000  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   54    46    48    49   0.00000  1.0 1.0
   54    46   -48    50   0.09850  1.0 1.0
   54    46   -48    50   0.15250 -1.0 2.0
   54    46   -48    50  -0.50650  1.0 3.0
   54    52    56    57  -0.11600  1.0 1.0
   54    52    56    57  -0.09450 -1.0 2.0
   54    52    56    57   0.21250  1.0 3.0
   54    39   -43    41   0.56750  1.0 1.0
   54    39   -43    41  -0.07550 -1.0 2.0
   54    39   -43    41   0.20000  1.0 3.0
   54    39    43    44   0.35600  1.0 1.0
   54    39    43    44  -0.14650 -1.0 2.0
   54    39    43    44   0.33350  1.0 3.0
   54    39    43    45   0.35600  1.0 1.0
   54    39    43    45  -0.14650 -1.0 2.0
   54    39    43    45   0.33350  1.0 3.0
   55    54    39    33   0.15000  1.0 3.0
   55    54    39    40   0.27000  1.0 3.0
   55    54    39    43   0.15000  1.0 3.0
   39    33    37    38   7.00000 -1.0 2.0
   39    33   -37    41   7.00000 -1.0 2.0
   40    39    43    41   0.35600  1.0 1.0
   40    39    43    41  -0.14650 -1.0 2.0
   40    39    43    41   0.33350  1.0 3.0
   40    39    43    44   0.22500  1.0 1.0
   40    39    43    45   0.22500  1.0 1.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.34400  1.0 1.0
   43    41    46    48   0.09450 -1.0 2.0
   43    41    46    48   0.11100  1.0 3.0
   43    41   -46    54   0.56750  1.0 1.0
   43    41   -46    54  -0.07550 -1.0 2.0
   43    41   -46    54   0.20000  1.0 3.0
   56    52    54    46   0.86500  1.0 1.0
   56    52    54    46  -0.17500 -1.0 2.0
   56    52    54    46   0.20800  1.0 3.0
   56    52    54    55   0.23400  1.0 3.0
   56    52    54    39   0.86500  1.0 1.0
   56    52    54    39  -0.17500 -1.0 2.0
   56    52    54    39   0.20800  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
   29    39    33    37   1.10000 -1.0 2.0
   41    38    37    33   1.10000 -1.0 2.0
   46    49    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
END
