* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    115    182     338
    1     0 S   NP   _N1_     1    29.27237    93.58223   -19.15851
    2     1 S   H    _HN1     2     1.02964   107.29084    32.32567
    3     1 S   H    _H1_     3     1.02837    34.94094   127.52780
    4     1 S   H    _H2_     4     1.02778    74.97838   -72.58299
    5     1 S   CT   _CA1     5     1.50118   136.18597  -179.23332
    6     5 S   HC   _HA1     6     1.09567   105.28902    29.91694
    7     5 S   CO3  _C1_     7     1.53871   112.23676   -90.42249
    8     7 S   O2Z  _O11     8     1.26362   115.02356   -45.49167
    9     7 S   O2Z  _O12     9     1.26238   114.90626   133.59643
   10     5 S   CT   _CB1    10     1.53067   107.41838   147.91104
   11    10 S   HC   HB11    11     1.09816   109.53783   -49.44149
   12    10 S   HC   HB12    12     1.09834   110.31766    67.11477
   13    10 S   CT   _CG1    13     1.53040   112.66375  -170.58639
   14    13 S   HC   HG11    14     1.09508   110.29445   -56.93238
   15    13 S   HC   HG12    15     1.09599   110.32192    62.11818
   16    13 S   C    _CD1    16     1.51782   111.65308  -177.96106
   17    16 S   O    _OE1    17     1.22775   122.90567   -22.49176
   18    16 S   N    _N2_    18     1.38550   112.04284   158.33564
   19    18 S   H    _HN2    19     1.01591   119.10198     1.59643
   20    18 S   CT1  _CA2    20     1.46279   123.35527  -176.02192
   21    20 S   HC   _HA2    21     1.09734   109.33663   -17.80537
   22    20 S   C    _C2_    22     1.53383   108.25048  -133.63655
   23    22 S   O    _O2_    23     1.23003   122.29837  -145.58311
   24    20 S   CT   _CB2    32     1.53842   111.31438   104.26700
   25    24 S   HC   HB21    33     1.09024   108.66644    55.16582
   26    24 S   HC   HB22    34     1.09371   109.87262   173.71266
   27    22 S   N    _N3_    24     1.38522   113.29440    41.76816
   28    27 S   H    _HN3    25     1.01538   118.91366    -0.53449
   29    24 S   S    _SG2    35     1.82824   111.11272   -65.89346
   30    27 S   CT   _CA3    26     1.45445   123.41188   175.20458
   31    30 S   HC   HA31    27     1.09526   109.19118    25.09956
   32    30 S   HC   HA32    28     1.09495   107.12630   142.08999
   33    29 S   CT   _C9_    36     1.87343   103.36344   173.46856
   34    33 S   Cl   Cl6_    37     1.81945   102.04921    65.69010
   35    30 S   CO3  _C3_    29     1.52927   113.17592   -98.35321
   36    35 S   O2Z  _O31    30     1.26399   115.43969   -43.87989
   37    35 S   O2Z  _O32    31     1.26362   114.96656   137.08754
   38    33 S   CT   _C8_    38     1.57477   112.19895  -175.42423
   39    38 S   Cl   Cl7_    39     1.77984   115.12924   -55.61593
   40    38 S   CM   _C6_    40     1.55307   100.10360  -176.51811
   41    40 S   CT   _C5_    41     1.53342   108.28768   -39.21775
   42    40 S   CM   _C7_    58     1.34310   127.35503   139.65961
   43    42 S   HC   _H6_    59     1.08515   121.22715  -179.54458
   44    42 S   HC   _H7_    60     1.08384   122.48862     1.36616
   45    33 S   CT   _C10    42     1.61576   123.57826   -69.35056
   46    45 S   Cl   Cl5_    43     1.77556   115.94235    64.03807
   47    41 S   CT   _C4_    50     1.56011   114.11694   122.99518
   48    47 S   HC   _H3_    51     1.09832   110.47305   161.45256
   49    47 S   HC   _H4_    52     1.09582   111.70761    42.96084
   50    47 S   HC   _H5_    53     1.08692   115.62411   -80.14122
   51    41 S   CT   _C13    54     1.54528   109.99712  -122.66236
   52    51 S   HC   _H8_    55     1.09517   111.30526   162.97451
   53    51 S   HC   _H9_    56     1.09082   113.78328    38.31031
   54    51 S   HC   _H10    57     1.09879   110.96813   -78.88478
   55    45 S   CT   _C11    44     1.60864   101.37614   -58.50564
   56    55 S   Cl   Cl3_    45     1.84345   111.17597    79.70721
   57    55 S   Cl   Cl4_    46     1.80321   116.49923  -168.51036
   58    38 S   CT   _C12    47     1.59645   105.07540    71.09150
   59    58 S   Cl   Cl1_    48     1.81553   113.83536   -90.42402
   60    58 S   Cl   Cl2_    49     1.81859   110.47561   155.35945
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   8  18  17   6   1   1  15   6   8   3
   2   1   4   2   1   1   5   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    46    55    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    55    56    57    58    59    60    47    51    42  
   38    39    40    41    45    46    55    58  
   36    37  
   37  
    0  
   39    40    41    45    46    55    56    57    58    59    60    47    51    42    43    44  
   40    41    45    55    58    59    60    42  
   41    45    46    55    58    59    60    47    48    49    50    51    52    53    54    42    43    44  
   45    46    55    56    57    58    47    48    49    50    51    52    53    54    42    43    44  
   43    44    45    47    51    58  
   44  
    0  
   46    55    56    57    58    59    60    47    48    49    50    51    52    53    54  
   55    56    57    58    47    51  
   48    49    50    51    52    53    54    55  
   49    50    51  
   50    51  
   51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   57   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   58   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   59   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   60   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
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   245.000  1.781
   33    38   268.000  1.529
   33    45   268.000  1.529
   38    39   245.000  1.781
   38    40   317.000  1.510
   38    58   268.000  1.529
   40    41   317.000  1.510
   40    42   549.000  1.340
   41    45   268.000  1.529
   41    47   268.000  1.529
   41    51   268.000  1.529
   45    46   245.000  1.781
   45    55   268.000  1.529
   55    56   245.000  1.781
   55    57   245.000  1.781
   55    58   268.000  1.529
   58    59   245.000  1.781
   58    60   245.000  1.781
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   42    43   340.000  1.080
   42    44   340.000  1.080
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    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    70.00000  112.02700
   33    38    58    58.35000  112.70000
   33    45    41    58.35000  112.70000
   33    45    46    69.00000  109.80000
   33    45    55    58.35000  112.70000
   38    33    34    69.00000  109.80000
   38    40    41    65.00000  117.92700
   38    40    42    70.00000  124.00000
   38    58    55    58.35000  112.70000
   38    58    59    69.00000  109.80000
   38    58    60    69.00000  109.80000
   40    38    39    75.00000  111.90500
   40    41    45    70.00000  112.02700
   40    41    47    70.00000  112.02700
   40    41    51    70.00000  112.02700
   40    42    43    35.00000  120.00000
   40    42    44    35.00000  120.00000
   41    45    46    69.00000  109.80000
   41    45    55    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    37.50000  110.70000
   41    51    53    37.50000  110.70000
   41    51    54    37.50000  110.70000
   45    33    34    69.00000  109.80000
   45    33    38    58.35000  112.70000
   45    55    56    69.00000  109.80000
   45    55    57    69.00000  109.80000
   45    55    58    58.35000  112.70000
   55    45    46    69.00000  109.80000
   55    58    59    69.00000  109.80000
   55    58    60    69.00000  109.80000
   57    55    56    80.00000  110.42200
   58    38    39    69.00000  109.80000
   58    38    40    70.00000  112.02700
   58    55    56    69.00000  109.80000
   58    55    57    69.00000  109.80000
   60    58    59    80.00000  110.42200
   47    41    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    45    58.35000  112.70000
   51    41    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    40    41    70.00000  124.00000
   44    42    43    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    58   0.44750  1.0 1.0
   29    33    38    58  -0.17800 -1.0 2.0
   29    33    38    58   0.20200  1.0 3.0
   29    33    45    41   0.44750  1.0 1.0
   29    33    45    41  -0.17800 -1.0 2.0
   29    33    45    41   0.20200  1.0 3.0
   29    33    45    46   0.56750  1.0 1.0
   29    33    45    46  -0.07550 -1.0 2.0
   29    33    45    46   0.20000  1.0 3.0
   29    33    45    55   0.44750  1.0 1.0
   29    33    45    55  -0.17800 -1.0 2.0
   29    33    45    55   0.20200  1.0 3.0
   33    38   -40    41   0.46850  1.0 1.0
   33    38   -40    41   0.08550 -1.0 2.0
   33    38   -40    41   0.09800  1.0 3.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38   -58    55   0.56750  1.0 1.0
   33    38   -58    55  -0.07550 -1.0 2.0
   33    38   -58    55   0.20000  1.0 3.0
   33    38    58    59   0.35600  1.0 1.0
   33    38    58    59  -0.14650 -1.0 2.0
   33    38    58    59   0.33350  1.0 3.0
   33    38    58    60   0.35600  1.0 1.0
   33    38    58    60  -0.14650 -1.0 2.0
   33    38    58    60   0.33350  1.0 3.0
   33    45    55    56   0.35600  1.0 1.0
   33    45    55    56  -0.14650 -1.0 2.0
   33    45    55    56   0.33350  1.0 3.0
   33    45    55    57   0.35600  1.0 1.0
   33    45    55    57  -0.14650 -1.0 2.0
   33    45    55    57   0.33350  1.0 3.0
   33    45   -55    58   0.56750  1.0 1.0
   33    45   -55    58  -0.07550 -1.0 2.0
   33    45   -55    58   0.20000  1.0 3.0
   34    33    38    39   0.22500  1.0 1.0
   34    33    38    40   0.56750  1.0 1.0
   34    33    38    40  -0.07550 -1.0 2.0
   34    33    38    40   0.20000  1.0 3.0
   34    33    38    58   0.35600  1.0 1.0
   34    33    38    58  -0.14650 -1.0 2.0
   34    33    38    58   0.33350  1.0 3.0
   34    33    45    41   0.35600  1.0 1.0
   34    33    45    41  -0.14650 -1.0 2.0
   34    33    45    41   0.33350  1.0 3.0
   34    33    45    46   0.22500  1.0 1.0
   34    33    45    55   0.35600  1.0 1.0
   34    33    45    55  -0.14650 -1.0 2.0
   34    33    45    55   0.33350  1.0 3.0
   38    33   -45    41   0.56750  1.0 1.0
   38    33   -45    41  -0.07550 -1.0 2.0
   38    33   -45    41   0.20000  1.0 3.0
   38    33    45    46   0.35600  1.0 1.0
   38    33    45    46  -0.14650 -1.0 2.0
   38    33    45    46   0.33350  1.0 3.0
   38    33   -45    55   0.56750  1.0 1.0
   38    33   -45    55  -0.07550 -1.0 2.0
   38    33   -45    55   0.20000  1.0 3.0
   38    40   -41    45   0.46850  1.0 1.0
   38    40   -41    45   0.08550 -1.0 2.0
   38    40   -41    45   0.09800  1.0 3.0
   38    40    41    47   0.46850  1.0 1.0
   38    40    41    47   0.08550 -1.0 2.0
   38    40    41    47   0.09800  1.0 3.0
   38    40    41    51   0.46850  1.0 1.0
   38    40    41    51   0.08550 -1.0 2.0
   38    40    41    51   0.09800  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.09700  1.0 1.0
   39    38    40    41   0.15600 -1.0 2.0
   39    38    40    41  -0.50800  1.0 3.0
   39    38    40    42   0.09700  1.0 1.0
   39    38    40    42   0.15600 -1.0 2.0
   39    38    40    42  -0.50800  1.0 3.0
   39    38    58    55   0.35600  1.0 1.0
   39    38    58    55  -0.14650 -1.0 2.0
   39    38    58    55   0.33350  1.0 3.0
   39    38    58    59   0.22500  1.0 1.0
   39    38    58    60   0.22500  1.0 1.0
   40    38    58    55   0.34400  1.0 1.0
   40    38    58    55   0.09450 -1.0 2.0
   40    38    58    55   0.11100  1.0 3.0
   40    38    58    59   0.56750  1.0 1.0
   40    38    58    59  -0.07550 -1.0 2.0
   40    38    58    59   0.20000  1.0 3.0
   40    38    58    60   0.56750  1.0 1.0
   40    38    58    60  -0.07550 -1.0 2.0
   40    38    58    60   0.20000  1.0 3.0
   40    41   -45    33   0.34400  1.0 1.0
   40    41   -45    33   0.09450 -1.0 2.0
   40    41   -45    33   0.11100  1.0 3.0
   40    41    45    46   0.56750  1.0 1.0
   40    41    45    46  -0.07550 -1.0 2.0
   40    41    45    46   0.20000  1.0 3.0
   40    41   -45    55   0.34400  1.0 1.0
   40    41   -45    55   0.09450 -1.0 2.0
   40    41   -45    55   0.11100  1.0 3.0
   40    41    47    48   0.15000  1.0 3.0
   40    41    47    49   0.15000  1.0 3.0
   40    41    47    50   0.15000  1.0 3.0
   40    41    51    52   0.15000  1.0 3.0
   40    41    51    53   0.15000  1.0 3.0
   40    41    51    54   0.15000  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   41    45    55    56   0.35600  1.0 1.0
   41    45    55    56  -0.14650 -1.0 2.0
   41    45    55    56   0.33350  1.0 3.0
   41    45    55    57   0.35600  1.0 1.0
   41    45    55    57  -0.14650 -1.0 2.0
   41    45    55    57   0.33350  1.0 3.0
   41    45    55    58   0.56750  1.0 1.0
   41    45    55    58  -0.07550 -1.0 2.0
   41    45    55    58   0.20000  1.0 3.0
   45    33    38    39   0.35600  1.0 1.0
   45    33    38    39  -0.14650 -1.0 2.0
   45    33    38    39   0.33350  1.0 3.0
   45    33   -38    40   0.34400  1.0 1.0
   45    33   -38    40   0.09450 -1.0 2.0
   45    33   -38    40   0.11100  1.0 3.0
   45    33   -38    58   0.56750  1.0 1.0
   45    33   -38    58  -0.07550 -1.0 2.0
   45    33   -38    58   0.20000  1.0 3.0
   45    41    47    48   0.15000  1.0 3.0
   45    41    47    49   0.15000  1.0 3.0
   45    41    47    50   0.15000  1.0 3.0
   45    41    51    52   0.15000  1.0 3.0
   45    41    51    53   0.15000  1.0 3.0
   45    41    51    54   0.15000  1.0 3.0
   45    55   -58    38   0.56750  1.0 1.0
   45    55   -58    38  -0.07550 -1.0 2.0
   45    55   -58    38   0.20000  1.0 3.0
   45    55    58    59   0.35600  1.0 1.0
   45    55    58    59  -0.14650 -1.0 2.0
   45    55    58    59   0.33350  1.0 3.0
   45    55    58    60   0.35600  1.0 1.0
   45    55    58    60  -0.14650 -1.0 2.0
   45    55    58    60   0.33350  1.0 3.0
   46    45    55    56   0.22500  1.0 1.0
   46    45    55    57   0.22500  1.0 1.0
   46    45    55    58   0.35600  1.0 1.0
   46    45    55    58  -0.14650 -1.0 2.0
   46    45    55    58   0.33350  1.0 3.0
   56    55    58    38   0.35600  1.0 1.0
   56    55    58    38  -0.14650 -1.0 2.0
   56    55    58    38   0.33350  1.0 3.0
   56    55    58    59   0.22500  1.0 1.0
   56    55    58    60   0.22500  1.0 1.0
   57    55    58    38   0.35600  1.0 1.0
   57    55    58    38  -0.14650 -1.0 2.0
   57    55    58    38   0.33350  1.0 3.0
   57    55    58    59   0.22500  1.0 1.0
   57    55    58    60   0.22500  1.0 1.0
   58    38   -40    41   0.46850  1.0 1.0
   58    38   -40    41   0.08550 -1.0 2.0
   58    38   -40    41   0.09800  1.0 3.0
   58    38    40    42   0.09850  1.0 1.0
   58    38    40    42   0.15250 -1.0 2.0
   58    38    40    42  -0.50650  1.0 3.0
   47    41    45    33   0.56750  1.0 1.0
   47    41    45    33  -0.07550 -1.0 2.0
   47    41    45    33   0.20000  1.0 3.0
   47    41    45    46   0.35600  1.0 1.0
   47    41    45    46  -0.14650 -1.0 2.0
   47    41    45    46   0.33350  1.0 3.0
   47    41    45    55   0.56750  1.0 1.0
   47    41    45    55  -0.07550 -1.0 2.0
   47    41    45    55   0.20000  1.0 3.0
   47    41    51    52   0.15000  1.0 3.0
   47    41    51    53   0.15000  1.0 3.0
   47    41    51    54   0.15000  1.0 3.0
   51    41    45    33   0.56750  1.0 1.0
   51    41    45    33  -0.07550 -1.0 2.0
   51    41    45    33   0.20000  1.0 3.0
   51    41    45    46   0.35600  1.0 1.0
   51    41    45    46  -0.14650 -1.0 2.0
   51    41    45    46   0.33350  1.0 3.0
   51    41    45    55   0.56750  1.0 1.0
   51    41    45    55  -0.07550 -1.0 2.0
   51    41    45    55   0.20000  1.0 3.0
   51    41    47    48   0.15000  1.0 3.0
   51    41    47    49   0.15000  1.0 3.0
   51    41    47    50   0.15000  1.0 3.0
   42    40    41    45   0.09850  1.0 1.0
   42    40    41    45   0.15250 -1.0 2.0
   42    40    41    45  -0.50650  1.0 3.0
   42    40    41    47   0.09850  1.0 1.0
   42    40    41    47   0.15250 -1.0 2.0
   42    40    41    47  -0.50650  1.0 3.0
   42    40    41    51   0.09850  1.0 1.0
   42    40    41    51   0.15250 -1.0 2.0
   42    40    41    51  -0.50650  1.0 3.0
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
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
END
