* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    119    180     342
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C7_    36     1.80608    99.10893   179.97202
   34    33 S   F    F1__    37     1.35869   110.67267   -58.63478
   35    33 S   HC   _H3_    38     1.09325   109.05194    59.97157
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   N    _N6_    39     1.43232   111.78411   178.98973
   40    39 S   CDX  _C5_    40     1.35889   128.78311   -89.80755
   41    40 S   NI   _N4_    41     1.29942   115.37943  -180.00000
   42    40 S   CT   _C4_    64     1.49200   121.01092    -0.13848
   43    42 S   HC   _H5_    65     1.09046   109.90493   -89.84545
   44    42 S   HC   _H6_    66     1.09056   109.86585   149.95383
   45    42 S   HC   _H7_    67     1.09115   109.86518    30.33084
   46    41 S   N    _N5_    42     1.37431   104.67014    -0.11191
   47    46 S   CA   _C8_    43     1.38292   125.05433  -179.94065
   48    39 S   C    _C6_    62     1.39639   126.32004    90.06032
   49    48 S   O    _O33    63     1.22301   127.63278     0.02798
   50    47 S   CA   _C9_    44     1.39456   119.88599   150.00728
   51    50 S   HA   _H8_    45     1.08808   120.05427    -0.02798
   52    50 S   CA   _C10    46     1.39546   120.00092   179.98022
   53    52 S   CA   _C11    47     1.39468   120.00159    -0.03426
   54    53 S   Cl   Cl1_    48     1.72610   121.29718  -180.00000
   55    52 S   CT   _C14    53     1.49528   118.31012   179.96044
   56    55 S   HC   _H10    54     1.10327   108.50931   148.37843
   57    55 S   HC   _H11    55     1.10301   110.41315    33.95275
   58    53 S   CA   _C12    49     1.39456   119.99747     0.03956
   59    58 S   HA   _H9_    50     1.08741   120.95235   179.92867
   60    55 S   CT   _C15    56     1.53518   113.00235   -90.01780
   61    60 S   Cl   Cl2_    57     1.79388   109.69126  -176.50671
   62    60 S   HC   _H4_    58     1.09551   110.16655   -59.96854
   63    47 S   CA   _C13    51     1.39468   120.11651   -30.02676
   64    63 S   F    F2__    52     1.34039   120.50542     0.02798
   65    60 S   CO3  _C16    59     1.53642   115.51890    64.58888
   66    65 S   O2Z  _O35    60     1.26220   116.21148    55.32592
   67    65 S   O2Z  _O34    61     1.26518   114.48643  -124.93815
  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   6   5   4   3
   9   4   3   2   1   1  10   9  10   5   2   1   1   9  11   3
   1  11   4  12   9   4   9   5   4   3   2   5   4   3   1   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    46    47    48    49    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    50    63    48    49    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    50    51    52    58    63    64    48    49  
   50    51    52    53    58    59    63    64    55    48    49  
   49    50    63  
    0  
   51    52    53    54    58    63    64    55    56    57    60  
   52    53    63    55  
   53    54    58    59    63    55    56    57    60    61    62    65  
   54    58    59    63    64    55    56    57    60  
   58    59    63    55  
   56    57    60    61    62    65    66    67    58  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64  
   63    64  
   61    62    65    66    67  
   62    65    66    67  
   65    66    67  
   64  
    0  
   66    67  
   67  
    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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   40   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2800   0.1700  -0.359000   1.8540   1.6400   0.005000000   0.000000000
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.207500   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.4000   0.3000  -0.080000   2.1950   1.9500   0.001000000   0.320982824
   62   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   65   3.7500   0.1050   0.586000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   340.000  1.090
   33    39   337.000  1.449
   39    40   400.000  1.380
   39    48   490.000  1.335
   40    41   650.000  1.285
   40    42   260.000  1.508
   41    46   305.000  1.341
   46    47   360.000  1.404
   46    48   490.000  1.335
   47    50   469.000  1.400
   47    63   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   300.000  1.725
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   420.000  1.354
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   245.000  1.781
   60    62   340.000  1.090
   60    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   48    49   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    80.00000  108.62000
   33    39    40    70.00000  118.08000
   33    39    48    50.00000  121.90000
   35    33    34    40.00000  107.00000
   39    33    34    95.00000  109.00000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  119.04400
   39    40    42    70.00000  106.88000
   39    48    46    90.00000  111.91700
   39    48    49    80.00000  122.90000
   40    41    46   110.00000  108.05000
   40    42    43    45.00000  109.58200
   40    42    44    45.00000  109.58200
   40    42    45    45.00000  109.58200
   41    46    47    75.00000  123.91000
   41    46    48    75.00000  121.16600
   46    47    50    70.00000  119.01900
   46    47    63    70.00000  119.01900
   46    48    49    80.00000  122.90000
   47    50    51    35.00000  120.00000
   47    50    52    63.00000  120.00000
   47    63    58    63.00000  120.00000
   47    63    64    80.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    75.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    60    70.00000  112.17500
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    75.00000  120.00000
   58    63    64    80.00000  120.00000
   63    47    50    63.00000  120.00000
   63    58    59    35.00000  120.00000
   55    52    53    70.00000  120.00000
   55    60    61    69.00000  109.80000
   55    60    62    37.50000  110.70000
   55    60    65    70.00000  109.69300
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    66    70.00000  117.00000
   60    65    67    70.00000  117.00000
   62    60    61    51.00000  107.60000
   65    60    61    69.00000  109.80000
   65    60    62    35.00000  109.50000
   67    65    66    80.00000  126.00000
   48    39    40    70.00000  120.51600
   48    46    47    65.00000  121.96500
   42    40    41    70.00000  118.34500
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.17850 -1.0 2.0
   29    33    39    48  -0.42300  1.0 1.0
   29    33    39    48  -0.07000 -1.0 2.0
   29    33    39    48   0.04150  1.0 3.0
   33    39    40    41   1.00000 -1.0 2.0
   33    39    40    42   1.00000 -1.0 2.0
   33    39    48    46   4.56800  1.0 1.0
   33    39    48    46   0.31650 -1.0 2.0
   33    39    48    49   3.04450 -1.0 2.0
   34    33    39    40   0.17850 -1.0 2.0
   34    33    39    48  -0.42300  1.0 1.0
   34    33    39    48  -0.07000 -1.0 2.0
   34    33    39    48   0.04150  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40   -41    46   6.00000 -1.0 2.0
   39    40    42    43  -0.18050  1.0 3.0
   39    40    42    44  -0.18050  1.0 3.0
   39    40    42    45  -0.18050  1.0 3.0
   40    39   -48    46   4.59200  1.0 1.0
   40    39   -48    46   0.41200 -1.0 2.0
   40    39    48    49   2.67200 -1.0 2.0
   40    41    46    47   2.14300 -1.0 2.0
   40    41   -46    48   1.42450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46    47    50   0.96250 -1.0 2.0
   41    46    47    63   0.96250 -1.0 2.0
   41    46   -48    39   0.63000  1.0 1.0
   41    46   -48    39   1.73150 -1.0 2.0
   41    46    48    49  -0.75150  1.0 1.0
   41    46    48    49   0.83450 -1.0 2.0
   46    47    50    51   3.62500 -1.0 2.0
   46    47    50    52   3.62500 -1.0 2.0
   46    47    63    58   3.62500 -1.0 2.0
   46    47    63    64   3.62500 -1.0 2.0
   47    46    48    39   0.54900  1.0 1.0
   47    46    48    39   1.90750 -1.0 2.0
   47    46    48    49   0.04000 -1.0 2.0
   47    50    52    53   3.62500 -1.0 2.0
   47    50    52    55   3.62500 -1.0 2.0
   50    47    63    58   3.62500 -1.0 2.0
   50    47    63    64   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    58   3.62500 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    60   0.04150 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53    58    63   3.62500 -1.0 2.0
   52    55    60    61   0.56750  1.0 1.0
   52    55    60    61  -0.07550 -1.0 2.0
   52    55    60    61   0.20000  1.0 3.0
   52    55    60    62   0.43200  1.0 3.0
   52    55    60    65  -2.95950  1.0 1.0
   52    55    60    65   0.02300  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    60   0.04150 -1.0 2.0
   53    58   -63    47   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   59    58    63    47   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   63    47    50    51   3.62500 -1.0 2.0
   63    47   -50    52   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    60    65    66   0.41150 -1.0 2.0
   55    60    65    67   0.41150 -1.0 2.0
   56    55    60    61   0.27000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65  -0.11250  1.0 3.0
   57    55    60    61   0.27000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65  -0.11250  1.0 3.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    67   0.00000  1.0 1.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   48    39   -40    41  -0.56400  1.0 1.0
   48    39   -40    41   0.77500 -1.0 2.0
   48    39   -40    41   0.18700  1.0 3.0
   48    39    40    42  -0.45200  1.0 1.0
   48    39    40    42   0.85900 -1.0 2.0
   48    39    40    42   0.16650  1.0 3.0
   48    46    47    50   1.00100  1.0 1.0
   48    46    47    50   0.85050 -1.0 2.0
   48    46    47    63   1.00100  1.0 1.0
   48    46    47    63   0.85050 -1.0 2.0
   42    40    41    46   6.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   48    40    39    33   1.00000 -1.0 2.0
   39    42    40    41  10.50000 -1.0 2.0
   47    48    46    41   1.00000 -1.0 2.0
   50    63    47    46   4.00000 -1.0 2.0
   52    51    50    47   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   58    54    53    52   4.00000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   58    64    63    47   4.00000 -1.0 2.0
   66    60    65    67  10.50000 -1.0 2.0
   39    46    48    49  10.50000 -1.0 2.0
END
