* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    132    204     379
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68830
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07483
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12151
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12706
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.80553    98.13928   159.97876
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   C4M  _C5_    37     1.61024   106.95901   -60.01974
   38    33 S   CT   _C15    66     1.53140   109.06955  -178.06943
   39    38 S   HC   _H33    67     1.09619   112.20428   -63.39676
   40    38 S   HC   _H34    68     1.09692   110.59314   176.70634
   41    38 S   HC   _H35    69     1.09727   111.74045    57.96067
   42    33 S   CT   _C16    70     1.53460   110.32538    58.23270
   43    42 S   HC   _H36    71     1.09701   111.71749    42.98875
   44    42 S   HC   _H37    72     1.09588   110.20056   -76.24992
   45    37 S   C4M  _C7_    38     1.35678   135.97472   -57.92631
   46    45 S   OM   _O17    39     1.40815   131.63359    -1.71235
   47    37 S   C4T  _C13    46     1.50916   135.41017   121.04409
   48    47 S   HC   _H29    47     1.09675   116.91715   -70.54040
   49    42 S   OH   _O22    73     1.42272   111.22951   164.58878
   50    49 S   HO   _H40    74     0.97049   106.69511   179.98022
   51    45 S   N4T  _N15    40     1.31372    95.16318  -178.33423
   52    51 S   CM   _C4_    41     1.38607   125.85552   116.80873
   53    52 S   CM   _C6_    42     1.34118   110.83806  -105.72585
   54    52 S   C    _C10    62     1.45929   121.02517    74.59702
   55    54 S   O    _O18    63     1.22028   124.75223  -150.36061
   56    53 S   CT   _C12    43     1.51535   109.97911     0.73275
   57    56 S   HC   _H27    44     1.09465   111.18894   114.94769
   58    56 S   HC   _H28    45     1.09532   110.51739  -123.60536
   59    53 S   SZ   _S24    48     1.75780   124.94248  -179.80218
   60    59 S   OZ   _O20    49     1.50652   107.15307   159.86975
   61    54 S   OH   _O21    64     1.35143   109.82599    29.63732
   62    61 S   HO   _H39    65     0.98096   112.18921   179.97202
   63    59 S   CM   _C9_    50     1.78669   100.15675   -90.00245
   64    63 S   HC   _H26    51     1.08513   121.22300    29.43188
   65    63 S   CM   _C8_    52     1.33801   118.18132  -150.00675
   66    65 S   HC   _H25    53     1.08358   123.01763    -0.24228
   67    65 S   N    _N16    54     1.36135   122.43031   179.71469
   68    67 S   H    _H38    55     1.01731   118.16293     0.02798
   69    67 S   C    _C11    56     1.38831   123.66223  -180.00000
   70    69 S   O    _O19    57     1.22864   126.06939     0.01978
   71    69 S   CT   _C14    58     1.50647   112.40414  -178.52236
   72    71 S   HC   _H30    59     1.09363   109.49604    89.99868
   73    71 S   HC   _H31    60     1.09386   109.21960   -29.81313
   74    71 S   HC   _H32    61     1.09390   111.02154  -150.37657
  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  12   5   4   3
  16   2   1   1  18   9   3   2   1   6   3   2   8   3   9   6
   1   1   9  11  11   5   2   5   2   1   6   3   1   1   6   3
   6   3   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    47    38    39    40    41    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    51    56    47    48    38    39    40    41    42    43    44    49    50  
   35    36  
   36  
    0  
   45    46    51    52    53    56    57    58    47    48    38    39    40    41    42    43    44    49  
   39    40    41    42    43    44    49    45    47  
   40    41    42  
   41    42  
   42  
   43    44    49    50    45    47  
   44    49    50  
   49    50  
   46    51    52    53    56    47    48    54  
   51    52    47  
   48    59    54    51    52    53    56    57    58  
   51    52    53    56    57    58  
   50  
    0  
   52    53    56    57    58    59    54    55    61  
   53    56    57    58    59    60    63    54    55    61    62  
   56    57    58    59    60    63    64    65    54    55    61  
   55    61    62    56    59  
   61    62  
   57    58    59    60    63  
   58    59  
   59  
   60    63    64    65    66    67  
   63    64    65  
   62  
    0  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.167500   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   3.5500   0.0760  -0.035100   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   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   3.5500   0.0760   0.207500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660   0.116300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.3000   0.1700  -0.845000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5600   0.3950   0.445000   2.0080   1.7800   0.025682759  -1.666211680
   60   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   61   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   317.000  1.510
   33    38   268.000  1.529
   33    42   268.000  1.529
   37    45   585.000  1.342
   37    47   275.000  1.517
   45    46   440.000  1.360
   45    51   380.000  1.368
   51    52   405.000  1.388
   51    47   382.000  1.448
   52    53   549.000  1.340
   52    54   410.000  1.444
   53    56   317.000  1.510
   53    59   205.000  1.810
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    47   260.000  1.519
   47    48   340.000  1.090
   59    60   700.000  1.530
   59    63   205.000  1.810
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   400.000  1.384
   67    68   434.000  1.010
   67    69   490.000  1.335
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   570.000  1.229
   54    61   450.000  1.364
   61    62   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   320.000  1.410
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    47    65.00000  117.92700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    49    50.00000  109.50000
   37    45    46    80.00000  120.01400
   37    45    51   105.00000   96.00000
   37    47    51   105.00000   89.00000
   37    47    56    70.00000  112.02700
   37    47    48    40.00000  115.44000
   45    51    52    55.00000  133.00000
   45    51    47   110.00000   88.06000
   51    45    46    85.00000  127.00000
   51    52    53    65.00000  124.66000
   51    52    54    70.00000  120.00000
   51    47    56    56.20000  109.47000
   51    47    48    35.00000  109.50000
   52    53    56    70.00000  124.00000
   52    53    59    65.00000  118.19300
   52    54    55    80.00000  125.30000
   52    54    61    90.00000  111.55000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    47    70.00000  112.02700
   53    59    60   100.00000  107.42000
   53    59    63    80.00000   95.00000
   56    47    48    45.00000  112.72800
   58    56    57    33.00000  107.80000
   47    37    45    85.00000   95.12000
   47    51    52    70.00000  116.26000
   47    56    57    45.00000  111.22300
   47    56    58    45.00000  111.22300
   59    53    56    70.00000  116.66000
   59    63    64    40.00000  114.00000
   59    63    65    65.00000  118.19300
   63    59    60   100.00000  107.42000
   63    65    66    35.00000  120.00000
   63    65    67    75.00000  120.83300
   65    63    64    35.00000  120.00000
   65    67    68    45.00000  117.55000
   65    67    69    70.00000  120.89900
   67    65    66    45.00000  111.09300
   67    69    70    80.00000  122.90000
   67    69    71    70.00000  116.60000
   69    67    68    35.00000  119.80000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   71    69    70    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    52    53    70.00000  118.70000
   54    61    62    35.00000  113.00000
   61    54    55   100.00000  123.32000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    38    58.35000  112.70000
   42    49    50    55.00000  108.50000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    47   0.30250  1.0 1.0
   29    33    37    47  -0.14950 -1.0 2.0
   29    33    37    47   0.36900  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    37    45    46   6.00000 -1.0 2.0
   33    37    45    51   6.00000 -1.0 2.0
   33    37   -47    51   0.52100  1.0 1.0
   33    37   -47    51  -0.20350 -1.0 2.0
   33    37   -47    51   0.29750  1.0 3.0
   33    37    47    56   0.46850  1.0 1.0
   33    37    47    56   0.08550 -1.0 2.0
   33    37    47    56   0.09800  1.0 3.0
   33    37    47    48   0.34800  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    49   1.05650  1.0 1.0
   37    33    42    49   0.15600 -1.0 2.0
   37    33    42    49   0.53150  1.0 3.0
   37    45    51    52   2.00000 -1.0 2.0
   37    45   -51    47   0.00000  1.0 1.0
   45    37   -47    51   0.00000  1.0 1.0
   45    37    47    56   0.09850  1.0 1.0
   45    37    47    56   0.15250 -1.0 2.0
   45    37    47    56  -0.50650  1.0 3.0
   45    37    47    48   0.00000  1.0 1.0
   45    51    52    53   2.00000 -1.0 2.0
   45    51    52    54   2.00000 -1.0 2.0
   45    51   -47    37  -1.61200 -1.0 2.0
   45    51   -47    56   0.23200  1.0 1.0
   45    51   -47    56   0.02100 -1.0 2.0
   45    51   -47    56   0.24950  1.0 3.0
   45    51   -47    48   0.23200  1.0 1.0
   45    51   -47    48   0.02100 -1.0 2.0
   45    51   -47    48   0.24950  1.0 3.0
   46    45    51    52   2.00000 -1.0 2.0
   46    45    51    47   2.00000 -1.0 2.0
   51    52   -53    56   7.00000 -1.0 2.0
   51    52    53    59   7.00000 -1.0 2.0
   51    52    54    55  -0.52200  1.0 1.0
   51    52    54    55   0.82950 -1.0 2.0
   51    52    54    61   1.50000 -1.0 2.0
   52    51   -47    37   0.23200  1.0 1.0
   52    51   -47    37   0.02100 -1.0 2.0
   52    51   -47    37   0.24950  1.0 3.0
   52    51   -47    56   0.23200  1.0 1.0
   52    51   -47    56   0.02100 -1.0 2.0
   52    51   -47    56   0.24950  1.0 3.0
   52    51    47    48   0.23200  1.0 1.0
   52    51    47    48   0.02100 -1.0 2.0
   52    51    47    48   0.24950  1.0 3.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53   -56    47   0.09850  1.0 1.0
   52    53   -56    47   0.15250 -1.0 2.0
   52    53   -56    47  -0.50650  1.0 3.0
   52    53    59    60   1.00000 -1.0 2.0
   52    53    59    63   1.00000 -1.0 2.0
   52    54    61    62   1.22000  1.0 1.0
   52    54    61    62   0.17300 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    61  -0.01000  1.0 1.0
   53    52    54    61   1.29850 -1.0 2.0
   53    52    54    61  -0.09550  1.0 3.0
   53    56    47    37   0.31000  1.0 1.0
   53    56    47    37   0.14700 -1.0 2.0
   53    56    47    37   0.07550  1.0 3.0
   53    56   -47    51   0.59950  1.0 1.0
   53    56   -47    51  -0.21400 -1.0 2.0
   53    56   -47    51   0.56200  1.0 3.0
   53    56    47    48   0.15000  1.0 3.0
   53    59    63    64   1.00000 -1.0 2.0
   53    59    63    65   1.00000 -1.0 2.0
   56    53    59    60   1.00000 -1.0 2.0
   56    53    59    63   1.00000 -1.0 2.0
   57    56    47    37   0.15000  1.0 3.0
   57    56    47    51   0.15000  1.0 3.0
   57    56    47    48   0.15000  1.0 3.0
   58    56    47    37   0.15000  1.0 3.0
   58    56    47    51   0.15000  1.0 3.0
   58    56    47    48   0.15000  1.0 3.0
   47    37   -45    46   6.00000 -1.0 2.0
   47    37   -45    51   6.00000 -1.0 2.0
   47    51   -52    53   2.00000 -1.0 2.0
   47    51    52    54   2.00000 -1.0 2.0
   59    53    56    57   0.00000  1.0 1.0
   59    53    56    58   0.00000  1.0 1.0
   59    53    56    47   0.09700  1.0 1.0
   59    53    56    47   0.15600 -1.0 2.0
   59    53    56    47  -0.50800  1.0 3.0
   59    63    65    66   7.00000 -1.0 2.0
   59    63    65    67   7.00000 -1.0 2.0
   60    59    63    64   1.00000 -1.0 2.0
   60    59    63    65   1.00000 -1.0 2.0
   63    65    67    68   0.78350 -1.0 2.0
   63    65    67    69  -0.18900  1.0 1.0
   63    65    67    69   1.70900 -1.0 2.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   2.67200 -1.0 2.0
   65    67    69    71   0.67100  1.0 1.0
   65    67    69    71   1.42150 -1.0 2.0
   65    67    69    71   0.18700  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   1.44600  1.0 1.0
   67    69    71    72   0.00000  1.0 1.0
   67    69    71    73   0.00000  1.0 1.0
   67    69    71    74   0.00000  1.0 1.0
   68    67    69    70   2.45000 -1.0 2.0
   68    67    69    71   2.45000 -1.0 2.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   54    52    53    56   7.00000 -1.0 2.0
   54    52    53    59   7.00000 -1.0 2.0
   55    54    61    62   0.92200  1.0 1.0
   55    54    61    62   3.74100 -1.0 2.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    47   0.46850  1.0 1.0
   38    33    37    47   0.08550 -1.0 2.0
   38    33    37    47   0.09800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    49   0.86500  1.0 1.0
   38    33    42    49  -0.17500 -1.0 2.0
   38    33    42    49   0.20800  1.0 3.0
   42    33    37    45   0.09850  1.0 1.0
   42    33    37    45   0.15250 -1.0 2.0
   42    33    37    45  -0.50650  1.0 3.0
   42    33    37    47   0.46850  1.0 1.0
   42    33    37    47   0.08550 -1.0 2.0
   42    33    37    47   0.09800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   44    42    49    50   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    47    37    45   1.10000 -1.0 2.0
   51    46    45    37   1.10000 -1.0 2.0
   47    45    51    52   1.00000 -1.0 2.0
   51    54    52    53   1.10000 -1.0 2.0
   56    59    53    52   1.10000 -1.0 2.0
   59    64    63    65  15.00000 -1.0 2.0
   67    66    65    63  15.00000 -1.0 2.0
   68    69    67    65   1.00000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
END
