* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    215     404
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   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   167.74441
   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     1.34015   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   -11.12153
   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   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C11    36     1.80543    98.16150   161.78140
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C4_    37     1.51777   114.12912   -60.00637
   38    33 S   S    _S22    62     1.83051   110.32830   176.30838
   39    37 S   N4   _N15    38     1.36811   108.22508   139.62639
   40    37 S   CMA  _C6_    58     1.34034   128.60002   -36.23820
   41    40 S   OM   _O17    59     1.26720   126.40104    -0.00000
   42    38 S   CT   _C16    63     1.80561    97.86811   -53.65970
   43    42 S   HC   _H38    64     1.09505   108.43101    80.00684
   44    42 S   HC   _H39    65     1.09403   107.60319   -36.64558
   45    39 S   C4   _C5_    39     1.35739   130.40877  -126.34823
   46    45 S   O    _O18    40     1.20911   133.48872   -42.82636
   47    39 S   C4T  _C10    43     1.46343   113.25086    -2.73165
   48    47 S   HC   _H26    44     1.09692   111.28205   103.98612
   49    40 S   OH   _O20    60     1.40954   111.82244   180.00000
   50    49 S   HO   _H42    61     0.97360   105.58587   179.97202
   51    42 S   CT   _C15    66     1.52288   112.21230  -157.17725
   52    51 S   HC   _H36    67     1.09523   109.39538   -59.95022
   53    51 S   HC   _H37    68     1.09506   111.92030  -179.26325
   54    45 S   C4T  _C9_    41     1.55168    90.13596   131.39165
   55    54 S   HC   _H25    42     1.09681   111.81904  -115.14264
   56    33 S   CT   _C8_    45     1.55284   109.81469    53.47965
   57    56 S   HC   _H23    46     1.09621   113.45661    86.05207
   58    56 S   HC   _H24    47     1.09893   111.00779   -34.55505
   59    51 S   N    _N16    69     1.43777   113.02493    58.54652
   60    59 S   H    _H41    70     1.01879   118.34419   -89.97807
   61    54 S   CT   _C17    48     1.50900   114.79342   116.84303
   62    61 S   HC   _H40    49     1.10198   109.20712   -39.94829
   63    59 S   C    _C7_    71     1.38607   123.38286    89.97946
   64    63 S   O    _O19    72     1.22530   126.19246     0.03956
   65    61 S   CT   _C13    50     1.53398   111.15276    78.59874
   66    65 S   HC   _H30    51     1.09510   111.07943    60.49189
   67    65 S   HC   _H31    52     1.09552   110.43152   -59.38564
   68    65 S   HC   _H32    53     1.09517   111.33096  -179.11045
   69    61 S   CT   _C14    54     1.53335   111.21509  -158.60432
   70    69 S   HC   _H33    55     1.09500   111.02407   -60.41766
   71    69 S   HC   _H34    56     1.09495   111.39988   179.10737
   72    69 S   HC   _H35    57     1.09491   110.43256    59.35479
   73    63 S   CT   _C12    73     1.49336   114.25641   179.93744
   74    73 S   HC   _H27    74     1.10102   112.45159    90.03687
   75    73 S   HC   _H28    75     1.10158   112.40230  -151.33895
   76    73 S   HC   _H29    76     1.10091   115.31554   -30.67684
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  15  13  13   6   2   9   5   4  10   4  10   6
   1   1   7   4   3  14   5   3   1   1   7   3   9   8   5   4
   7   3   2   1   3   2   1   1   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    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    56    57    58    40    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    54    47    48    56    57    58    40    41    49    38    42    43    44    51  
   35    36  
   36  
    0  
   39    45    46    54    47    48    56    57    58    40    41    49    50    38    42  
   42    43    44    51    52    53    59    39    40    47    56    57    58  
   45    46    54    55    47    48    56    57    58    61    40    41    49  
   41    49    50    45    47    56  
   49    50  
   43    44    51    52    53    59    60    63    56  
   44    51    52    53    59  
   51    52    53    59  
   46    54    55    47    48    56    61    62    65    69  
   54    55    47    61  
   48    56    57    58    61    62    65    69    54    55  
   56    57    58    61    54    55  
   50  
    0  
   52    53    59    60    63    64    73  
   53    59    60    63  
   59    60    63  
   55    56    57    58    61    62    65    66    67    68    69    70    71    72  
   56    61    62    65    69  
   57    58    61  
   58  
    0  
   60    63    64    73    74    75    76  
   63    64    73  
   62    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   64    73    74    75    76  
   73    74    75    76  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    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   0.335000   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.047500   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   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    56   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    54   250.000  1.540
   54    55   340.000  1.090
   54    47   268.000  1.529
   54    61   260.000  1.519
   47    48   340.000  1.090
   47    56   260.000  1.519
   56    57   340.000  1.090
   56    58   340.000  1.090
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   745.000  1.250
   40    49   510.000  1.338
   49    50   553.000  0.945
   38    42   222.000  1.810
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   337.000  1.449
   59    60   434.000  1.010
   59    63   490.000  1.335
   63    64   570.000  1.229
   63    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    56    47    70.00000  112.98000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   33    38    42    62.00000   98.90000
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    49    80.00000  121.38400
   39    45    46    75.00000  131.60000
   39    45    54    95.00000   92.72400
   39    47    54   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    56    80.00000  110.05700
   45    54    55    40.00000  113.37500
   45    54    47   100.00000   86.36000
   45    54    61    63.00000  111.10000
   54    45    46    60.00000  136.58000
   54    47    48    37.50000  110.70000
   54    47    56    65.00000  119.52000
   54    61    62    45.00000  111.22300
   54    61    65    70.00000  112.98000
   54    61    69    70.00000  112.98000
   47    39    45   100.00000   93.00000
   47    54    55    37.50000  110.70000
   47    56    57    45.00000  111.22300
   47    56    58    45.00000  111.22300
   56    33    37    70.00000  112.02700
   56    47    48    45.00000  112.72800
   58    56    57    33.00000  107.80000
   61    54    55    45.00000  112.72800
   61    54    47    65.00000  119.52000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   65    61    62    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    37    39    75.00000  120.83300
   40    49    50    70.00000  107.45700
   49    40    41   115.00000  116.36000
   38    33    37    75.00000  112.20000
   38    33    56    75.00000  111.63000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    51    75.00000  111.63000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    59    70.00000  110.72300
   44    42    43    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    44    37.50000  110.70000
   51    59    60    38.00000  118.40000
   51    59    63    50.00000  121.90000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    63    64    80.00000  122.90000
   59    63    73    70.00000  116.60000
   63    59    60    35.00000  119.80000
   63    73    74    35.00000  109.50000
   63    73    75    35.00000  109.50000
   63    73    76    35.00000  109.50000
   73    63    64    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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  -0.62250  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    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
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   29    33    38    42   0.08500  1.0 1.0
   29    33    38    42  -0.53150 -1.0 2.0
   29    33    38    42   0.48050  1.0 3.0
   33    37    39    45   0.00000  1.0 1.0
   33    37   -39    47   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    49   7.00000 -1.0 2.0
   33    38    42    43   0.32350  1.0 3.0
   33    38    42    44   0.32350  1.0 3.0
   33    38    42    51   0.01700  1.0 1.0
   33    38    42    51  -0.23550 -1.0 2.0
   33    38    42    51   0.21350  1.0 3.0
   37    33   -56    47   0.34400  1.0 1.0
   37    33   -56    47   0.09450 -1.0 2.0
   37    33   -56    47   0.11100  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    38    42  -0.62250  1.0 1.0
   37    33    38    42  -0.38450 -1.0 2.0
   37    33    38    42   0.81900  1.0 3.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    54   3.00000 -1.0 2.0
   37    39   -47    54   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    56   0.00000  1.0 1.0
   37    40    49    50  -0.66100  1.0 1.0
   37    40    49    50   1.20850 -1.0 2.0
   37    40    49    50  -0.36000  1.0 3.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    49   7.00000 -1.0 2.0
   39    45    54    55   0.00000  1.0 1.0
   39    45   -54    47   3.00000 -1.0 2.0
   39    45    54    61   1.39750  1.0 1.0
   39    45    54    61  -0.07950 -1.0 2.0
   39    45    54    61  -0.18750  1.0 3.0
   39    47   -56    33   0.43900  1.0 1.0
   39    47   -56    33   0.49100 -1.0 2.0
   39    47   -56    33   0.28400  1.0 3.0
   39    47    56    57   0.15000  1.0 3.0
   39    47    56    58   0.15000  1.0 3.0
   45    39   -47    54   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    56   0.00000  1.0 1.0
   45    54   -47    39   3.00000 -1.0 2.0
   45    54   -47    48   0.15000  1.0 3.0
   45    54   -47    56  -0.95700  1.0 1.0
   45    54   -47    56  -0.18200 -1.0 2.0
   45    54   -47    56   0.29450  1.0 3.0
   45    54    61    62  -0.11250  1.0 3.0
   45    54    61    65  -0.95700  1.0 1.0
   45    54    61    65  -0.18200 -1.0 2.0
   45    54    61    65   0.29450  1.0 3.0
   45    54    61    69  -0.95700  1.0 1.0
   45    54    61    69  -0.18200 -1.0 2.0
   45    54    61    69   0.29450  1.0 3.0
   46    45    54    55   0.00000  1.0 1.0
   46    45    54    47  -0.11250  1.0 1.0
   46    45    54    47   0.11400 -1.0 2.0
   46    45    54    47  -0.28950  1.0 3.0
   46    45    54    61   0.30150 -1.0 2.0
   54    47    56    33   0.04050  1.0 1.0
   54    47    56    33   0.63700 -1.0 2.0
   54    47    56    33   0.17650  1.0 3.0
   54    47    56    57   0.00000  1.0 1.0
   54    47    56    58   0.00000  1.0 1.0
   54    61    65    66   0.15000  1.0 3.0
   54    61    65    67   0.15000  1.0 3.0
   54    61    65    68   0.15000  1.0 3.0
   54    61    69    70   0.15000  1.0 3.0
   54    61    69    71   0.15000  1.0 3.0
   54    61    69    72   0.15000  1.0 3.0
   55    54   -47    39   0.15000  1.0 3.0
   55    54    47    48   0.15000  1.0 3.0
   55    54    47    56   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65   0.15000  1.0 3.0
   55    54    61    69   0.15000  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    54   3.00000 -1.0 2.0
   47    54    61    62   0.00000  1.0 1.0
   47    54    61    65   0.04050  1.0 1.0
   47    54    61    65   0.63700 -1.0 2.0
   47    54    61    65   0.17650  1.0 3.0
   47    54    61    69   0.04050  1.0 1.0
   47    54    61    69   0.63700 -1.0 2.0
   47    54    61    69   0.17650  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   56    33   -37    39  -0.93550  1.0 1.0
   56    33   -37    39   0.38900 -1.0 2.0
   56    33   -37    39   0.16950  1.0 3.0
   56    33    37    40   0.09850  1.0 1.0
   56    33    37    40   0.15250 -1.0 2.0
   56    33    37    40  -0.50650  1.0 3.0
   56    33    38    42   0.01700  1.0 1.0
   56    33    38    42  -0.23550 -1.0 2.0
   56    33    38    42   0.21350  1.0 3.0
   61    54   -47    39   0.43900  1.0 1.0
   61    54   -47    39   0.49100 -1.0 2.0
   61    54   -47    39   0.28400  1.0 3.0
   61    54    47    48   0.15000  1.0 3.0
   61    54    47    56   0.56750  1.0 1.0
   61    54    47    56  -0.07550 -1.0 2.0
   61    54    47    56   0.20000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   65    61    69    70   0.15000  1.0 3.0
   65    61    69    71   0.15000  1.0 3.0
   65    61    69    72   0.15000  1.0 3.0
   69    61    65    66   0.15000  1.0 3.0
   69    61    65    67   0.15000  1.0 3.0
   69    61    65    68   0.15000  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   0.00000  1.0 1.0
   41    40    49    50   2.00000 -1.0 2.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    56    47   0.44750  1.0 1.0
   38    33    56    47  -0.17800 -1.0 2.0
   38    33    56    47   0.20200  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    53   0.15000  1.0 3.0
   38    42    51    59   0.56750  1.0 1.0
   38    42    51    59  -0.07550 -1.0 2.0
   38    42    51    59   0.20000  1.0 3.0
   42    51    59    60   0.00000  1.0 1.0
   42    51    59    63  -0.43950  1.0 1.0
   42    51    59    63  -0.08100 -1.0 2.0
   42    51    59    63   0.03350  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    53   0.15000  1.0 3.0
   43    42    51    59   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    53   0.15000  1.0 3.0
   44    42    51    59   0.15000  1.0 3.0
   51    59    63    64   3.04450 -1.0 2.0
   51    59    63    73   1.49850  1.0 1.0
   51    59    63    73   1.53950 -1.0 2.0
   52    51    59    60   0.00000  1.0 1.0
   52    51    59    63   0.00000  1.0 1.0
   53    51    59    60   0.00000  1.0 1.0
   53    51    59    63   0.00000  1.0 1.0
   59    63    73    74   0.00000  1.0 1.0
   59    63    73    75   0.00000  1.0 1.0
   59    63    73    76   0.00000  1.0 1.0
   60    59    63    64   2.45000 -1.0 2.0
   60    59    63    73   2.45000 -1.0 2.0
   64    63    73    74   0.00000  1.0 1.0
   64    63    73    75   0.00000  1.0 1.0
   64    63    73    76   0.00000  1.0 1.0
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    39    37    40   1.10000 -1.0 2.0
   47    45    39    37   1.00000 -1.0 2.0
   39    54    45    46  10.50000 -1.0 2.0
   41    49    40    37   1.10000 -1.0 2.0
   60    63    59    51   1.00000 -1.0 2.0
   59    73    63    64  10.50000 -1.0 2.0
END
