* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    130    189     377
    1     0 S   NP   _N1_     1    28.86992    94.61391   -19.92861
    2     1 S   H    _HN1     2     1.02963    96.72587    30.75675
    3     1 S   H    _H1_     3     1.02837    34.46730   141.23893
    4     1 S   H    _H2_     4     1.02778    80.72599   -76.78359
    5     1 S   CT   _CA1     5     1.50119   142.93775   168.37593
    6     5 S   HC   _HA1     6     1.09566   105.28306    43.21179
    7     5 S   CO3  _C1_     7     1.53859   112.26866   -77.13019
    8     7 S   O2Z  _O11     8     1.26367   115.01962   -44.94270
    9     7 S   O2Z  _O12     9     1.26236   114.92618   134.21789
   10     5 S   CT   _CB1    10     1.53083   107.42595   161.22496
   11    10 S   HC   HB11    11     1.09818   109.55056   -49.43790
   12    10 S   HC   HB12    12     1.09832   110.30574    67.14535
   13    10 S   CT   _CG1    13     1.53019   112.65284  -170.54165
   14    13 S   HC   HG11    14     1.09554   110.34414   -58.25290
   15    13 S   HC   HG12    15     1.09614   110.21453    60.88779
   16    13 S   C    _CD1    16     1.51804   111.99602  -178.90729
   17    16 S   O    _OE1    17     1.22739   123.12465   -14.57440
   18    16 S   N    _N2_    18     1.38567   111.76278   165.95380
   19    18 S   H    _HN2    19     1.01590   119.04277     1.81121
   20    18 S   CT1  _CA2    20     1.46295   123.44041  -176.25676
   21    20 S   HC   _HA2    21     1.09728   109.38547   -15.94454
   22    20 S   C    _C2_    22     1.53375   108.45670  -131.81865
   23    22 S   O    _O2_    23     1.23011   122.25864  -146.53920
   24    20 S   CT   _CB2    32     1.53537   110.98881   106.12466
   25    24 S   HC   HB21    33     1.09502   109.10447    54.02617
   26    24 S   HC   HB22    34     1.09458   110.78702   172.86881
   27    22 S   N    _N3_    24     1.38516   113.33509    40.94508
   28    27 S   H    _HN3    25     1.01533   118.88835    -0.62087
   29    24 S   S    _SG2    35     1.82788   111.42941   -67.55875
   30    27 S   CT   _CA3    26     1.45448   123.43446   175.04500
   31    30 S   HC   HA31    27     1.09525   109.20619    24.81942
   32    30 S   HC   HA32    28     1.09494   107.12452   141.82483
   33    29 S   CT   _C13    36     1.84553   100.64824   149.63741
   34    33 S   HC   _H3_    37     1.09138   105.55485   -38.45190
   35    30 S   CO3  _C3_    29     1.52932   113.16105   -98.63433
   36    35 S   O2Z  _O31    30     1.26400   115.43228   -43.61838
   37    35 S   O2Z  _O32    31     1.26360   114.96653   137.32880
   38    33 S   CM   _C6_    38     1.54371   108.87372  -153.49498
   39    33 S   CT   _C14    62     1.54057   112.56709    78.15126
   40    39 S   HC   _H19    63     1.09725   110.68329   157.32620
   41    39 S   HC   _H20    64     1.09444   111.69640    37.80987
   42    38 S   CM   _C5_    39     1.36130   124.26962   -78.99610
   43    39 S   CO4  _C15    65     1.52098   113.49169   -84.22901
   44    43 S   O    _O33    66     1.23044   122.38418   -39.04637
   45    42 S   CT   _C10    40     1.51593   123.13493  -173.63967
   46    45 S   HC   _H11    41     1.09726   109.64180   135.19982
   47    45 S   HC   _H12    42     1.09783   108.17298  -108.66434
   48    42 S   CT   _C4_    58     1.50918   125.72113     6.87446
   49    48 S   HC   _H4_    59     1.09633   110.21169   140.77185
   50    48 S   HC   _H5_    60     1.08949   113.83915    22.59960
   51    48 S   HC   _H6_    61     1.09457   110.17062  -100.16065
   52    43 S   CT   _C16    67     1.50620   116.58837   143.71971
   53    52 S   HC   _H21    68     1.09267   109.54723    60.50187
   54    52 S   HC   _H22    69     1.09285   109.58029   -60.61702
   55    52 S   HC   _H23    70     1.09351   109.71376  -179.87967
   56    45 S   CT   _C9_    43     1.51871   114.78750    13.47107
   57    56 S   HC   _H9_    44     1.09588   110.24747    77.43700
   58    56 S   HC   _H10    45     1.09612   109.59400  -165.57365
   59    56 S   CT   _C8_    46     1.51551   109.60209   -44.67732
   60    59 S   HC   _H7_    47     1.09749   109.36155  -176.12505
   61    59 S   HC   _H8_    48     1.09920   108.51046   -60.81598
   62    38 S   CT   _C7_    49     1.55901   114.91058   104.01225
   63    62 S   CT   _C11    50     1.54753   112.40861   -51.81030
   64    63 S   HC   _H13    51     1.09677   110.84176  -174.29738
   65    63 S   HC   _H14    52     1.09431   112.83852    66.50497
   66    63 S   HC   _H15    53     1.09594   111.14296   -54.87829
   67    62 S   CT   _C12    54     1.54617   109.14449    68.75122
   68    67 S   HC   _H16    55     1.09620   111.09325   173.88641
   69    67 S   HC   _H17    56     1.09545   111.77477    53.58001
   70    67 S   HC   _H18    57     1.09530   112.05225   -66.74126
  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
  15   7   2   1   1  25  10   4   3  14   5   4  13   6   5   5
   2   1   1   3   2   1   1   8   5   4  11   4   3   8   7   3
   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    62    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    59    62    63    67    48    39    40    41    43    44    52  
   38    42    62    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    47    56    59    60    61    62    63    64    65    66    67    68    69    70    48    49    50    51    39    40    41    43  
   40    41    43    44    52    53    54    55    42    62  
   41    43    44    52  
   43    44    52  
   45    46    47    56    57    58    59    62    63    67    48    49    50    51  
   44    52    53    54    55  
   52    53    54    55  
   46    47    56    57    58    59    60    61    62    48    49    50    51  
   47    56    57    58    59    48  
   56    57    58    59    48  
   49    50    51    56    62  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    67  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    67  
   62    63    67  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   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    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    39   268.000  1.529
   38    42   549.000  1.340
   38    62   317.000  1.510
   42    45   317.000  1.510
   42    48   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    62    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    45    70.00000  124.00000
   38    42    48    70.00000  124.00000
   38    62    59    70.00000  112.02700
   38    62    63    70.00000  112.02700
   38    62    67    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    56    70.00000  112.02700
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    35.00000  109.50000
   45    56    57    37.50000  110.70000
   45    56    58    37.50000  110.70000
   45    56    59    58.35000  112.70000
   47    45    46    33.00000  107.80000
   56    45    46    37.50000  110.70000
   56    45    47    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    67    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    38    42    70.00000  124.00000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    66    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    62    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   48    42    45    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    43    44    80.00000  120.40000
   39    43    52    70.00000  116.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   52    43    44    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    62   0.30250  1.0 1.0
   29    33    38    62  -0.14950 -1.0 2.0
   29    33    38    62   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    62    59   0.46850  1.0 1.0
   33    38    62    59   0.08550 -1.0 2.0
   33    38    62    59   0.09800  1.0 3.0
   33    38    62    63   0.46850  1.0 1.0
   33    38    62    63   0.08550 -1.0 2.0
   33    38    62    63   0.09800  1.0 3.0
   33    38    62    67   0.46850  1.0 1.0
   33    38    62    67   0.08550 -1.0 2.0
   33    38    62    67   0.09800  1.0 3.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    52   0.60050  1.0 1.0
   33    39    43    52   0.05600 -1.0 2.0
   33    39    43    52   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    62   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    43  -0.98800  1.0 1.0
   38    33    39    43   0.48800 -1.0 2.0
   38    33    39    43   0.76800  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    56   0.09850  1.0 1.0
   38    42    45    56   0.15250 -1.0 2.0
   38    42    45    56  -0.50650  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.00000  1.0 1.0
   38    62    63    64   0.15000  1.0 3.0
   38    62    63    65   0.15000  1.0 3.0
   38    62    63    66   0.15000  1.0 3.0
   38    62    67    68   0.15000  1.0 3.0
   38    62    67    69   0.15000  1.0 3.0
   38    62    67    70   0.15000  1.0 3.0
   42    38    62    59   0.09850  1.0 1.0
   42    38    62    59   0.15250 -1.0 2.0
   42    38    62    59  -0.50650  1.0 3.0
   42    38    62    63   0.09850  1.0 1.0
   42    38    62    63   0.15250 -1.0 2.0
   42    38    62    63  -0.50650  1.0 3.0
   42    38    62    67   0.09850  1.0 1.0
   42    38    62    67   0.15250 -1.0 2.0
   42    38    62    67  -0.50650  1.0 3.0
   42    45    56    57   0.15000  1.0 3.0
   42    45    56    58   0.15000  1.0 3.0
   42    45   -56    59   0.34400  1.0 1.0
   42    45   -56    59   0.09450 -1.0 2.0
   42    45   -56    59   0.11100  1.0 3.0
   45    42    48    49   0.34800  1.0 3.0
   45    42    48    50   0.34800  1.0 3.0
   45    42    48    51   0.34800  1.0 3.0
   45    56    59    60   0.15000  1.0 3.0
   45    56    59    61   0.15000  1.0 3.0
   45    56    59    62   0.56750  1.0 1.0
   45    56    59    62  -0.07550 -1.0 2.0
   45    56    59    62   0.20000  1.0 3.0
   46    45    56    57   0.15000  1.0 3.0
   46    45    56    58   0.15000  1.0 3.0
   46    45    56    59   0.15000  1.0 3.0
   47    45    56    57   0.15000  1.0 3.0
   47    45    56    58   0.15000  1.0 3.0
   47    45    56    59   0.15000  1.0 3.0
   56    59   -62    38   0.34400  1.0 1.0
   56    59   -62    38   0.09450 -1.0 2.0
   56    59   -62    38   0.11100  1.0 3.0
   56    59    62    63   0.56750  1.0 1.0
   56    59    62    63  -0.07550 -1.0 2.0
   56    59    62    63   0.20000  1.0 3.0
   56    59    62    67   0.56750  1.0 1.0
   56    59    62    67  -0.07550 -1.0 2.0
   56    59    62    67   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    65   0.15000  1.0 3.0
   59    62    63    66   0.15000  1.0 3.0
   59    62    67    68   0.15000  1.0 3.0
   59    62    67    69   0.15000  1.0 3.0
   59    62    67    70   0.15000  1.0 3.0
   60    59    62    38   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    67   0.15000  1.0 3.0
   61    59    62    38   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    67   0.15000  1.0 3.0
   62    38   -42    45   7.00000 -1.0 2.0
   62    38    42    48   7.00000 -1.0 2.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   67    62    63    64   0.15000  1.0 3.0
   67    62    63    65   0.15000  1.0 3.0
   67    62    63    66   0.15000  1.0 3.0
   48    42    45    46   0.34800  1.0 3.0
   48    42    45    47   0.34800  1.0 3.0
   48    42    45    56   0.46850  1.0 1.0
   48    42    45    56   0.08550 -1.0 2.0
   48    42    45    56   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    62   0.46850  1.0 1.0
   39    33    38    62   0.08550 -1.0 2.0
   39    33    38    62   0.09800  1.0 3.0
   39    43    52    53   0.00000  1.0 1.0
   39    43    52    54   0.00000  1.0 1.0
   39    43    52    55   0.00000  1.0 1.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    52   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    52   0.00000  1.0 1.0
   44    43    52    53   0.00000  1.0 1.0
   44    43    52    54   0.00000  1.0 1.0
   44    43    52    55   0.00000  1.0 1.0
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    62    38    42   1.10000 -1.0 2.0
   45    48    42    38   1.10000 -1.0 2.0
   39    52    43    44  10.50000 -1.0 2.0
END
