* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    129    205     387
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102   105.56308     0.02798
    3     1 S   H    _H1_     3     1.02090    47.69209   101.33540
    4     1 S   H    _H2_     4     1.02095    64.83891  -103.70347
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08491   110.56590    58.74922
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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     1.84535    97.42677   161.83749
   34    33 S   HC   _H5_    37     1.09927   105.52871   -42.91564
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C8_    38     1.51436   107.75448  -159.98564
   39    38 S   CM   _C9_    39     1.34497   122.25171   -92.66186
   40    38 S   CT   _C14    61     1.50753   115.52749    86.48106
   41    40 S   HC   _H11    62     1.09355   107.71662  -149.09939
   42    40 S   HC   _H12    63     1.09278   107.28319   -33.48807
   43    39 S   CO4  _C10    40     1.47764   119.34645    -2.00916
   44    43 S   O    _O33    41     1.22079   123.33077   157.74375
   45    39 S   OH   _O36    59     1.37711   122.73159   176.09706
   46    45 S   HO   _H10    60     0.96355   110.02463   179.98022
   47    40 S   CT1  _C15    64     1.52773   112.52660    88.41744
   48    47 S   HC   _H7_    65     1.09784   109.38299   -39.98371
   49    43 S   CD   _C11    42     1.49787   117.41399   -26.64310
   50    47 S   CO3  _C16    66     1.53949   112.79249    79.18796
   51    50 S   O2Z  _O38    67     1.26218   116.52260    59.31859
   52    50 S   O2Z  _O37    68     1.26663   114.31226  -120.45050
   53    47 S   NT   _N5_    69     1.44660   110.93311  -156.84329
   54    53 S   H    _H13    70     1.00387   118.76286  -157.96606
   55    53 S   H    _H14    71     1.00285   118.75719    35.45918
   56    33 S   CT   _C6_    43     1.54100   109.62740    73.83274
   57    56 S   HC   _H4_    44     1.09942   108.96741   -25.36912
   58    56 S   CT   _C5_    45     1.53874   114.00617  -143.40850
   59    58 S   HC   _H3_    46     1.09638   109.93601    64.18380
   60    58 S   CT   _C4_    47     1.54021   111.66844  -173.75901
   61    60 S   HC   _H8_    48     1.09839   111.21660   127.62782
   62    60 S   HC   _H9_    49     1.09823   108.71838  -116.98494
   63    58 S   CO3  _C17    56     1.52302   111.74474   -54.32963
   64    63 S   O2Z  _O40    57     1.26181   115.36633   -59.73771
   65    63 S   O2Z  _O39    58     1.26357   114.77644   120.30664
   66    60 S   CT1  _C12    50     1.53116   112.59135     2.81883
   67    66 S   HC   _H6_    51     1.09571   112.16117   -77.65878
   68    49 S   NI   _N4_    52     1.29173   117.75244  -149.72319
   69    66 S   CO3  _C13    53     1.51419   107.36527   163.25302
   70    69 S   O2Z  _O35    54     1.26190   115.32218   -58.63127
   71    69 S   O2Z  _O34    55     1.26420   114.77871   121.37106
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  16  11  13   5   4   9   4   2   1   7   6
  10   5   2   1   2   1   1  11   5  11   7  11   6   5   3   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    56    57    58    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    49    56    57    58    59    60    68    63    45    40    41    42    47  
   38    39    49    56    57    58    40  
   36    37  
   37  
    0  
   39    43    44    49    56    57    58    45    46    40    41    42    47    48    50    53  
   43    44    49    56    68    45    46    40    41    42    47  
   41    42    47    48    50    51    52    53    54    55    43    45    56  
   42    47    48    50    53  
   47    48    50    53  
   44    49    56    57    58    66    68    45    46  
   49    56    68    45  
   46    49  
    0  
   48    50    51    52    53    54    55  
   50    51    52    53    54    55  
   56    57    58    59    60    66    67    68    69    63  
   51    52    53    54    55  
   52    53  
   53  
   54    55  
   55  
    0  
   57    58    59    60    61    62    66    68    63    64    65  
   58    59    60    68    63  
   59    60    61    62    66    67    68    69    63    64    65  
   60    61    62    66    63    64    65  
   61    62    66    67    68    69    70    71    63    64    65  
   62    66    67    68    69    63  
   66    67    68    69    63  
   64    65    66  
   65  
    0  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   320.000  1.462
   39    45   510.000  1.338
   43    44   570.000  1.229
   43    49   275.000  1.494
   49    56   270.000  1.508
   49    68   500.000  1.261
   56    57   340.000  1.090
   56    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   315.000  1.431
   66    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   63    64   656.000  1.250
   63    65   656.000  1.250
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   340.000  1.090
   47    50   317.000  1.522
   47    53   305.000  1.457
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   434.000  1.010
   53    55   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    56    49    70.00000  111.76100
   33    56    57    37.50000  110.70000
   33    56    58    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    43    65.00000  118.96000
   38    39    45    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    47    70.00000  112.02700
   39    43    44    80.00000  123.72100
   39    43    49    65.00000  118.65900
   39    45    46    70.00000  107.45700
   43    49    56    60.00000  116.68000
   43    49    68    60.00000  126.98800
   49    43    44    75.00000  122.07900
   49    56    57    45.00000  109.49600
   49    56    58    70.00000  111.76100
   49    68    66    75.00000  114.96100
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    63    70.00000  109.69300
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    63    64    70.00000  117.00000
   58    63    65    70.00000  117.00000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    80.00000  110.18800
   60    66    69    63.00000  111.10000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    69    70    70.00000  117.00000
   66    69    71    70.00000  117.00000
   68    49    56    65.00000  122.10100
   68    66    67    45.00000  110.38000
   69    66    67    35.00000  109.50000
   69    66    68    80.00000  108.92000
   71    69    70    80.00000  126.00000
   63    58    59    35.00000  109.50000
   63    58    60    70.00000  109.69300
   65    63    64    80.00000  126.00000
   45    39    43    85.00000  116.28000
   40    38    39    70.00000  124.00000
   40    47    48    37.50000  110.70000
   40    47    50    63.00000  111.10000
   40    47    53    80.00000  111.22000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    50    51    70.00000  117.00000
   47    50    52    70.00000  117.00000
   47    53    54    50.00000  111.55300
   47    53    55    50.00000  111.55300
   50    47    48    35.00000  109.50000
   52    50    51    80.00000  126.00000
   53    47    48    50.00000  109.55000
   53    47    50    75.00000  111.54000
   55    53    54    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.44750  1.0 1.0
   29    33    56    58  -0.17800 -1.0 2.0
   29    33    56    58   0.20200  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    47   0.46850  1.0 1.0
   33    38    40    47   0.08550 -1.0 2.0
   33    38    40    47   0.09800  1.0 3.0
   33    56    58    59   0.15000  1.0 3.0
   33    56    58    60   0.56750  1.0 1.0
   33    56    58    60  -0.07550 -1.0 2.0
   33    56    58    60   0.20000  1.0 3.0
   33    56    58    63  -1.63150  1.0 1.0
   33    56    58    63  -0.43550 -1.0 2.0
   33    56    58    63   0.24500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    56    49   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    58   0.15000  1.0 3.0
   38    33    56    49   0.31000  1.0 1.0
   38    33    56    49   0.14700 -1.0 2.0
   38    33    56    49   0.07550  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.34400  1.0 1.0
   38    33    56    58   0.09450 -1.0 2.0
   38    33    56    58   0.11100  1.0 3.0
   38    39    43    44   1.00000 -1.0 2.0
   38    39   -43    49  -1.18350  1.0 1.0
   38    39   -43    49   1.45950 -1.0 2.0
   38    39    45    46  -0.66100  1.0 1.0
   38    39    45    46   1.20850 -1.0 2.0
   38    39    45    46  -0.36000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40    47    50  -0.98800  1.0 1.0
   38    40    47    50   0.48800 -1.0 2.0
   38    40    47    50   0.76800  1.0 3.0
   38    40    47    53   0.59950  1.0 1.0
   38    40    47    53  -0.21400 -1.0 2.0
   38    40    47    53   0.56200  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    47   0.09850  1.0 1.0
   39    38    40    47   0.15250 -1.0 2.0
   39    38    40    47  -0.50650  1.0 3.0
   39    43    49    56   1.50000 -1.0 2.0
   39    43    49    68   1.50000 -1.0 2.0
   43    39    45    46   2.00000 -1.0 2.0
   43    49   -56    33   0.00000  1.0 1.0
   43    49    56    57   0.00000  1.0 1.0
   43    49    56    58   0.00000  1.0 1.0
   43    49    68    66   6.00000 -1.0 2.0
   44    43    49    56   1.00000 -1.0 2.0
   44    43    49    68   1.00000 -1.0 2.0
   49    56    58    59   0.15000  1.0 3.0
   49    56    58    60   0.34400  1.0 1.0
   49    56    58    60   0.09450 -1.0 2.0
   49    56    58    60   0.11100  1.0 3.0
   49    56    58    63  -0.98800  1.0 1.0
   49    56    58    63   0.48800 -1.0 2.0
   49    56    58    63   0.76800  1.0 3.0
   56    33   -38    39   0.09850  1.0 1.0
   56    33   -38    39   0.15250 -1.0 2.0
   56    33   -38    39  -0.50650  1.0 3.0
   56    33    38    40   0.46850  1.0 1.0
   56    33    38    40   0.08550 -1.0 2.0
   56    33    38    40   0.09800  1.0 3.0
   56    49    68    66   6.00000 -1.0 2.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58   -60    66   0.56750  1.0 1.0
   56    58   -60    66  -0.07550 -1.0 2.0
   56    58   -60    66   0.20000  1.0 3.0
   56    58    63    64   0.41150 -1.0 2.0
   56    58    63    65   0.41150 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63  -0.11250  1.0 3.0
   58    60    66    67   0.15000  1.0 3.0
   58    60    66    68   0.56750  1.0 1.0
   58    60    66    68  -0.07550 -1.0 2.0
   58    60    66    68   0.20000  1.0 3.0
   58    60    66    69  -0.84850  1.0 1.0
   58    60    66    69  -0.22800 -1.0 2.0
   58    60    66    69   0.29250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    66   0.15000  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   60    58    63    64   0.41150 -1.0 2.0
   60    58    63    65   0.41150 -1.0 2.0
   60    66   -68    49  -0.12500  1.0 1.0
   60    66   -68    49  -0.12500 -1.0 2.0
   60    66   -68    49   0.25000  1.0 3.0
   60    66    69    70   0.00000  1.0 1.0
   60    66    69    71   0.00000  1.0 1.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69  -0.03800  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69  -0.03800  1.0 3.0
   67    66    68    49  -0.15000  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    49    56    33   0.00000  1.0 1.0
   68    49    56    57   0.00000  1.0 1.0
   68    49   -56    58   0.00000  1.0 1.0
   68    66    69    70   0.30150 -1.0 2.0
   68    66    69    71   0.30150 -1.0 2.0
   69    66    68    49  -0.12500  1.0 1.0
   69    66    68    49  -0.12500 -1.0 2.0
   69    66    68    49   0.25000  1.0 3.0
   63    58    60    61  -0.11250  1.0 3.0
   63    58    60    62  -0.11250  1.0 3.0
   63    58    60    66  -0.84850  1.0 1.0
   63    58    60    66  -0.22800 -1.0 2.0
   63    58    60    66   0.29250  1.0 3.0
   45    39    43    44  -0.11900  1.0 1.0
   45    39    43    44   0.76850 -1.0 2.0
   45    39    43    44   0.14100  1.0 3.0
   45    39    43    49   1.50000 -1.0 2.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    45   7.00000 -1.0 2.0
   40    47    50    51   0.00000  1.0 1.0
   40    47    50    52   0.00000  1.0 1.0
   40    47    53    54  -0.05950  1.0 1.0
   40    47    53    54   0.08850 -1.0 2.0
   40    47    53    54   0.11750  1.0 3.0
   40    47    53    55  -0.05950  1.0 1.0
   40    47    53    55   0.08850 -1.0 2.0
   40    47    53    55   0.11750  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    50  -0.03800  1.0 3.0
   41    40    47    53   0.15000  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    50  -0.03800  1.0 3.0
   42    40    47    53   0.15000  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    53    54   0.20000  1.0 3.0
   48    47    53    55   0.20000  1.0 3.0
   50    47    53    54   0.21900  1.0 1.0
   50    47    53    54  -0.24900 -1.0 2.0
   50    47    53    54   0.15200  1.0 3.0
   50    47    53    55   0.21900  1.0 1.0
   50    47    53    55  -0.24900 -1.0 2.0
   50    47    53    55   0.15200  1.0 3.0
   53    47    50    51   0.30150 -1.0 2.0
   53    47    50    52   0.30150 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    45    39    38   1.10000 -1.0 2.0
   39    49    43    44  10.50000 -1.0 2.0
   43    56    49    68  10.50000 -1.0 2.0
   70    66    69    71  10.50000 -1.0 2.0
   64    58    63    65  10.50000 -1.0 2.0
   51    47    50    52  10.50000 -1.0 2.0
END
