* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    138    209     405
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02089    78.10853   -86.33128
    3     1 S   H    _H1_     3     1.02136    99.92177    20.82569
    4     1 S   H    _H2_     4     1.02130    37.21355   128.75646
    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   _C13    36     1.85239   100.16181   159.97935
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   NT   _N4_    37     1.46199   110.14210   160.02120
   38    33 S   OH   _O33    53     1.42626   110.22415    37.18323
   39    38 S   HO   _H24    54     0.97172   106.37925   -57.72368
   40    33 S   S    _S1_    55     1.85626   106.24619   -81.50869
   41    37 S   CT   _C14    38     1.46964   110.48308    57.62824
   42    41 S   HC   _H14    39     1.09675   109.79770    58.45648
   43    41 S   HC   _H15    40     1.09766   110.85915   -59.88687
   44    40 S   CT   _C5_    56     1.81228   100.06514   161.09636
   45    41 S   CT   _C15    41     1.52969   111.16922   178.01752
   46    45 S   HC   _H16    42     1.09764   109.49183   -65.34521
   47    45 S   HC   _H17    43     1.09570   109.77516   177.51202
   48    44 S   CA   _C7_    57     1.53310   109.63215   -79.99322
   49    44 S   CT   _C4_    68     1.54148   107.81263    40.97847
   50    49 S   HC   _H3_    69     1.09563   113.03928    59.93874
   51    49 S   HC   _H4_    70     1.09682   110.59091   -60.06872
   52    49 S   HC   _H5_    71     1.09791   111.66845  -179.23077
   53    44 S   CT   _C6_    72     1.54183   105.97235   155.83441
   54    53 S   HC   _H6_    73     1.09771   111.77828   -59.00024
   55    53 S   HC   _H7_    74     1.09635   110.98554  -177.93740
   56    53 S   HC   _H8_    75     1.09734   112.41892    61.64111
   57    45 S   CT   _C16    44     1.52432   111.30583    55.80969
   58    57 S   HC   _H18    45     1.09727   109.54898    68.43192
   59    57 S   HC   _H19    46     1.09595   110.08182  -174.07398
   60    48 S   CA   _C8_    58     1.39478   120.04012   119.03749
   61    60 S   HA   _H9_    59     1.08653   120.51081    -0.06256
   62    57 S   CT   _C17    47     1.52461   110.49692   -52.30456
   63    62 S   HC   _H20    48     1.09525   109.72502   174.05047
   64    62 S   HC   _H21    49     1.09770   109.42880   -68.87307
   65    60 S   CA   _C9_    60     1.39536   120.01142  -179.97202
   66    65 S   HA   _H10    61     1.08609   120.00233   179.90721
   67    37 S   CT   _C18    50     1.46991   110.45619   -65.79420
   68    67 S   HC   _H22    51     1.09783   110.84545    59.87076
   69    67 S   HC   _H23    52     1.09635   109.79914   -58.49287
   70    65 S   CA   _C10    62     1.39429   119.97540    -0.05935
   71    70 S   HA   _H11    63     1.08717   119.99625   180.00000
   72    70 S   CA   _C11    64     1.39468   120.05958     0.01978
   73    72 S   HA   _H12    65     1.08583   120.07950   179.87028
   74    48 S   CA   _C12    66     1.39539   119.97501   -60.96316
   75    74 S   HA   _H13    67     1.08682   120.50143    -0.03426
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  16   2   1   1  17   5   1  14  12   6   5  15   9   5   4  17
   9   3   2   1   5   2   1   1   8   5   4   8   4   5   4   3
   6   3   2   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    67    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    43    45    62    67    68    69    38    39    40    44    48    49    53  
   35    36  
   36  
    0  
   41    42    43    45    46    47    57    62    63    64    67    68    69    38    39    40    44  
   39    40    44    41    67  
   40  
   44    48    60    74    49    50    51    52    53    54    55    56    41    67  
   42    43    45    46    47    57    58    59    62    67    68    69  
   43    45    46    47    57    67  
   45    46    47    57    67  
   48    60    61    65    72    74    75    49    50    51    52    53    54    55    56  
   46    47    57    58    59    62    63    64    67  
   47    57    58    59    62  
   57    58    59    62  
   60    61    65    66    70    72    73    74    75    49    50    51    52    53    54    55    56  
   50    51    52    53    54    55    56    60    74  
   51    52    53  
   52    53  
   53  
   54    55    56    60    74  
   55    56  
   56  
    0  
   58    59    62    63    64    67    68    69  
   59    62    63    64    67  
   62    63    64    67  
   61    65    66    70    71    72    74    75  
   65    66    70    74  
   63    64    67    68    69  
   64    67    68    69  
   67    68    69  
   66    70    71    72    73    74  
   70    71    72  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    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   0.810000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   222.000  1.810
   33    37   382.000  1.448
   33    38   320.000  1.410
   33    40   222.000  1.810
   37    41   382.000  1.448
   37    67   382.000  1.448
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   38    39   553.000  0.945
   40    44   222.000  1.810
   44    48   317.000  1.510
   44    49   268.000  1.529
   44    53   268.000  1.529
   48    60   469.000  1.400
   48    74   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    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    37    85.00000  109.00000
   29    33    38    85.00000  114.68000
   29    33    40    75.00000  118.28000
   33    37    41    51.80000  107.20000
   33    37    67    51.80000  107.20000
   33    38    39    55.00000  108.50000
   33    40    44    62.00000   98.90000
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    45    56.20000  109.47000
   37    67    62    56.20000  109.47000
   37    67    68    35.00000  109.50000
   37    67    69    35.00000  109.50000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    57    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    57    58    37.50000  110.70000
   45    57    59    37.50000  110.70000
   45    57    62    58.35000  112.70000
   47    45    46    33.00000  107.80000
   57    45    46    37.50000  110.70000
   57    45    47    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   67    37    41    51.80000  107.20000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   69    67    68    33.00000  107.80000
   38    33    37   110.00000  105.70000
   40    33    37    85.00000  109.00000
   40    33    38    85.00000  114.68000
   40    44    48    80.00000  109.48900
   40    44    49    75.00000  111.63000
   40    44    53    75.00000  111.63000
   44    48    60    70.00000  120.00000
   44    48    74    70.00000  120.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    56    37.50000  110.70000
   48    60    61    35.00000  120.00000
   48    60    65    63.00000  120.00000
   48    74    72    63.00000  120.00000
   48    74    75    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    70    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    70    71    35.00000  120.00000
   65    70    72    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    48    60    63.00000  120.00000
   74    72    73    35.00000  120.00000
   49    44    48    70.00000  112.17500
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    48    70.00000  112.17500
   53    44    49    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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    37    41   0.23200  1.0 1.0
   29    33    37    41   0.02100 -1.0 2.0
   29    33    37    41   0.24950  1.0 3.0
   29    33    37    67   0.23200  1.0 1.0
   29    33    37    67   0.02100 -1.0 2.0
   29    33    37    67   0.24950  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    44   0.08500  1.0 1.0
   29    33    40    44  -0.53150 -1.0 2.0
   29    33    40    44   0.48050  1.0 3.0
   33    37    41    42   0.28000  1.0 3.0
   33    37    41    43   0.28000  1.0 3.0
   33    37    41    45   0.58650  1.0 1.0
   33    37    41    45   0.12600 -1.0 2.0
   33    37    41    45   0.33350  1.0 3.0
   33    37    67    62   0.58650  1.0 1.0
   33    37    67    62   0.12600 -1.0 2.0
   33    37    67    62   0.33350  1.0 3.0
   33    37    67    68   0.28000  1.0 3.0
   33    37    67    69   0.28000  1.0 3.0
   33    40    44    48  -0.23050  1.0 1.0
   33    40    44    48   0.06200 -1.0 2.0
   33    40    44    48   0.47200  1.0 3.0
   33    40    44    49   0.01700  1.0 1.0
   33    40    44    49  -0.23550 -1.0 2.0
   33    40    44    49   0.21350  1.0 3.0
   33    40    44    53   0.01700  1.0 1.0
   33    40    44    53  -0.23550 -1.0 2.0
   33    40    44    53   0.21350  1.0 3.0
   37    33    38    39   0.35600  1.0 1.0
   37    33    38    39  -0.10750 -1.0 2.0
   37    33    38    39  -0.54400  1.0 3.0
   37    33    40    44   0.01700  1.0 1.0
   37    33    40    44  -0.23550 -1.0 2.0
   37    33    40    44   0.21350  1.0 3.0
   37    41    45    46   0.15000  1.0 3.0
   37    41    45    47   0.15000  1.0 3.0
   37    41    45    57   1.53400  1.0 1.0
   37    41    45    57  -0.09950 -1.0 2.0
   37    41    45    57   0.05700  1.0 3.0
   41    37    67    62   0.23450  1.0 1.0
   41    37    67    62   0.02050 -1.0 2.0
   41    37    67    62   0.25250  1.0 3.0
   41    37    67    68   0.28000  1.0 3.0
   41    37    67    69   0.28000  1.0 3.0
   41    45    57    58   0.15000  1.0 3.0
   41    45    57    59   0.15000  1.0 3.0
   41    45   -57    62   0.56750  1.0 1.0
   41    45   -57    62  -0.07550 -1.0 2.0
   41    45   -57    62   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    57   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    57   0.15000  1.0 3.0
   45    57    62    63   0.15000  1.0 3.0
   45    57    62    64   0.15000  1.0 3.0
   45    57    62    67   0.56750  1.0 1.0
   45    57    62    67  -0.07550 -1.0 2.0
   45    57    62    67   0.20000  1.0 3.0
   46    45    57    58   0.15000  1.0 3.0
   46    45    57    59   0.15000  1.0 3.0
   46    45    57    62   0.15000  1.0 3.0
   47    45    57    58   0.15000  1.0 3.0
   47    45    57    59   0.15000  1.0 3.0
   47    45    57    62   0.15000  1.0 3.0
   57    62   -67    37   1.53400  1.0 1.0
   57    62   -67    37  -0.09950 -1.0 2.0
   57    62   -67    37   0.05700  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   63    62    67    37   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   64    62    67    37   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   67    37    41    42   0.28000  1.0 3.0
   67    37    41    43   0.28000  1.0 3.0
   67    37   -41    45   0.23450  1.0 1.0
   67    37   -41    45   0.02050 -1.0 2.0
   67    37   -41    45   0.25250  1.0 3.0
   38    33    37    41   0.23200  1.0 1.0
   38    33    37    41   0.02100 -1.0 2.0
   38    33    37    41   0.24950  1.0 3.0
   38    33    37    67   0.23200  1.0 1.0
   38    33    37    67   0.02100 -1.0 2.0
   38    33    37    67   0.24950  1.0 3.0
   38    33    40    44   0.13850  1.0 1.0
   38    33    40    44  -1.34450 -1.0 2.0
   38    33    40    44   0.57400  1.0 3.0
   40    33    37    41   0.23200  1.0 1.0
   40    33    37    41   0.02100 -1.0 2.0
   40    33    37    41   0.24950  1.0 3.0
   40    33    37    67   0.23200  1.0 1.0
   40    33    37    67   0.02100 -1.0 2.0
   40    33    37    67   0.24950  1.0 3.0
   40    33    38    39   0.35600  1.0 1.0
   40    33    38    39  -0.10750 -1.0 2.0
   40    33    38    39  -0.54400  1.0 3.0
   40    44    48    60  -0.16000  1.0 1.0
   40    44    48    60  -0.03200 -1.0 2.0
   40    44    48    60   0.04500  1.0 3.0
   40    44    48    74  -0.16000  1.0 1.0
   40    44    48    74  -0.03200 -1.0 2.0
   40    44    48    74   0.04500  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   40    44    53    54   0.15000  1.0 3.0
   40    44    53    55   0.15000  1.0 3.0
   40    44    53    56   0.15000  1.0 3.0
   44    48    60    61   3.62500 -1.0 2.0
   44    48    60    65   3.62500 -1.0 2.0
   44    48    74    72   3.62500 -1.0 2.0
   44    48    74    75   3.62500 -1.0 2.0
   48    44    49    50   0.43200  1.0 3.0
   48    44    49    51   0.43200  1.0 3.0
   48    44    49    52   0.43200  1.0 3.0
   48    44    53    54   0.43200  1.0 3.0
   48    44    53    55   0.43200  1.0 3.0
   48    44    53    56   0.43200  1.0 3.0
   48    60    65    66   3.62500 -1.0 2.0
   48    60    65    70   3.62500 -1.0 2.0
   60    48    74    72   3.62500 -1.0 2.0
   60    48    74    75   3.62500 -1.0 2.0
   60    65    70    71   3.62500 -1.0 2.0
   60    65   -70    72   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    70   3.62500 -1.0 2.0
   65    70    72    73   3.62500 -1.0 2.0
   65    70    72    74   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   66    65    70    72   3.62500 -1.0 2.0
   70    72   -74    48   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    48   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    48    60    61   3.62500 -1.0 2.0
   74    48   -60    65   3.62500 -1.0 2.0
   49    44    48    60   0.04150 -1.0 2.0
   49    44    48    74   0.04150 -1.0 2.0
   49    44    53    54   0.15000  1.0 3.0
   49    44    53    55   0.15000  1.0 3.0
   49    44    53    56   0.15000  1.0 3.0
   53    44    48    60   0.04150 -1.0 2.0
   53    44    48    74   0.04150 -1.0 2.0
   53    44    49    50   0.15000  1.0 3.0
   53    44    49    51   0.15000  1.0 3.0
   53    44    49    52   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   60    74    48    44   4.00000 -1.0 2.0
   65    61    60    48   1.10000 -1.0 2.0
   70    66    65    60   1.10000 -1.0 2.0
   72    71    70    65   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    48   1.10000 -1.0 2.0
END
