* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    127    202     375
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02053   105.28917     1.48793
    3     1 S   H    _H1_     3     1.02137    46.85143   102.94554
    4     1 S   H    _H2_     4     1.02150    65.74977  -102.48831
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C5_    36     1.85645    96.93286   161.85501
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CA   _C6_    37     1.53094   109.61122   -79.98402
   38    33 S   CT   _C4_    67     1.53646   107.54957   158.83479
   39    38 S   HC   _H4_    68     1.08527   109.20943   -59.89879
   40    38 S   HC   _H5_    69     1.08435   109.22653  -179.88636
   41    38 S   HC   _H6_    70     1.08528   109.23433    60.06165
   42    37 S   CA   _C7_    38     1.40435   120.15612   122.06235
   43    37 S   CA   _C15    50     1.40773   121.44026   -59.07144
   44    42 S   CA   _C8_    39     1.40275   120.29987  -178.70548
   45    44 S   HA   _H7_    40     1.08931   119.10130   178.75573
   46    43 S   OH   _O33    51     1.36897   118.79899    -0.33279
   47    46 S   HO   _H11    52     0.96794   109.85796    -0.21029
   48    42 S   CT   _C16    55     1.50356   119.94554    -0.04846
   49    48 S   HC   _H13    56     1.09610   110.50630   148.29266
   50    48 S   HC   _H14    57     1.09615   107.81072   -93.32075
   51    44 S   CA   _C9_    41     1.40192   121.13934    -1.74652
   52    48 S   CT   _C17    58     1.52512   109.54754    27.30495
   53    52 S   HC   _H3_    59     1.09708   111.25212    62.49165
   54    51 S   CA   _C10    42     1.40441   121.53276  -179.55854
   55    54 S   HA   _H8_    43     1.08863   120.51882    -0.10279
   56    33 S   OS   _O35    60     1.43951   106.66486    43.72448
   57    52 S   CT   _C18    61     1.52279   111.02809  -176.39924
   58    57 S   HC   _H15    62     1.09434   108.67294    75.80124
   59    57 S   HC   _H16    63     1.09387   108.73835   -41.10945
   60    54 S   CA   _C11    44     1.39468   120.75386   179.73239
   61    60 S   HA   _H9_    45     1.08587   120.00340  -179.90309
   62    57 S   CO3  _C19    64     1.52875   115.12977  -162.67066
   63    62 S   O2Z  _O37    65     1.26150   116.83441   -31.84359
   64    62 S   O2Z  _O36    66     1.26488   113.84130   148.15559
   65    60 S   CA   _C12    46     1.39168   119.93658     0.04846
   66    65 S   HA   _H10    47     1.08688   119.49546   179.94405
   67    65 S   CA   _C13    48     1.39525   120.01939     0.01978
   68    51 S   CA   _C14    49     1.41170   119.15555     0.32143
   69    67 S   OH   _O34    53     1.36583   116.11292   179.97202
   70    69 S   HO   _H12    54     0.96846   110.03608     0.01978
  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
  15   2   1   1  18   7   3   2   1  14  11  11   4   4   1  10
   5   4   8   8   5   7   4   4   5   4   3   6   3   2   1   1
   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    43    52    56    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    44    68    43    46    48    52    53    56    57    38    39    40    41  
   35    36  
   36  
    0  
   42    44    45    51    67    68    43    46    47    48    49    50    52    56    38    39    40    41  
   39    40    41    42    43    52    56  
   40    41    56  
   41    56  
   56  
   44    45    51    54    68    43    46    48    49    50    52    53    56    57  
   46    47    69    48    56    44    51    54    65    67    68  
   45    51    54    55    60    67    68    48    49    50    52  
   51    54    68    48  
   47    51    67    68  
   68  
   49    50    52    53    56    57    58    59    62    51  
   50    52    53    56    57  
   52    53    56    57  
   54    55    60    61    65    67    68    69  
   53    56    57    58    59    62    63    64  
   56    57    58    59    62  
   55    60    61    65    66    67    68  
   60    61    65    68  
   57    58    59    62  
   58    59    62    63    64  
   59    62    63    64  
   62    63    64  
   61    65    66    67    68    69  
   65    66    67  
   63    64  
   64  
    0  
   66    67    68    69    70  
   67    68    69  
   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  -0.316400   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   0.390700   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   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   320.000  1.410
   33    38   268.000  1.529
   37    42   469.000  1.400
   37    43   469.000  1.400
   42    44   469.000  1.400
   42    48   317.000  1.510
   44    45   367.000  1.080
   44    51   469.000  1.400
   51    54   469.000  1.400
   51    68   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    43   469.000  1.400
   43    46   450.000  1.364
   46    47   553.000  0.945
   69    70   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    80.00000  109.48900
   29    33    56    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  120.00000
   33    37    43    70.00000  120.00000
   33    56    52    60.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    44    63.00000  120.00000
   37    42    48    70.00000  120.00000
   37    43    68    63.00000  120.00000
   37    43    46    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    51    63.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    52    70.00000  112.17500
   44    51    54    63.00000  120.00000
   44    51    68    63.00000  120.00000
   51    44    45    35.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    60    63.00000  120.00000
   51    68    67    63.00000  120.00000
   51    68    43    63.00000  120.00000
   54    60    61    35.00000  120.00000
   54    60    65    63.00000  120.00000
   60    54    55    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    67    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    69    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    43    63.00000  120.00000
   67    69    70    35.00000  113.00000
   68    51    54    63.00000  120.00000
   68    43    46    70.00000  120.00000
   43    37    42    63.00000  120.00000
   43    46    47    35.00000  113.00000
   69    67    68    70.00000  120.00000
   48    42    44    70.00000  120.00000
   48    52    53    37.50000  110.70000
   48    52    56    50.00000  109.50000
   48    52    57    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    62    70.00000  109.69300
   56    33    37    85.00000  111.85700
   56    52    53    35.00000  109.50000
   57    52    53    37.50000  110.70000
   57    52    56    50.00000  109.50000
   57    62    63    70.00000  117.00000
   57    62    64    70.00000  117.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   64    62    63    80.00000  126.00000
   38    33    37    70.00000  112.17500
   38    33    56    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    56   0.13850  1.0 1.0
   24    29    33    56  -1.34450 -1.0 2.0
   24    29    33    56   0.57400  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    56    52   0.14700  1.0 1.0
   29    33    56    52  -1.16150 -1.0 2.0
   29    33    56    52   0.48700  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
   33    37    42    44   3.62500 -1.0 2.0
   33    37    42    48   3.62500 -1.0 2.0
   33    37    43    68   3.62500 -1.0 2.0
   33    37    43    46   3.62500 -1.0 2.0
   37    33    56    52   0.37500  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    41   0.43200  1.0 3.0
   37    42    44    45   3.62500 -1.0 2.0
   37    42    44    51   3.62500 -1.0 2.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.00000  1.0 1.0
   37    42   -48    52   0.04150 -1.0 2.0
   37    43    46    47   0.84100 -1.0 2.0
   42    37    43    68   3.62500 -1.0 2.0
   42    37    43    46   3.62500 -1.0 2.0
   42    44    51    54   3.62500 -1.0 2.0
   42    44   -51    68   3.62500 -1.0 2.0
   42    48    52    53   0.43200  1.0 3.0
   42    48    52    56  -0.64350  1.0 1.0
   42    48    52    56  -0.04200 -1.0 2.0
   42    48    52    56   0.19800  1.0 3.0
   42    48    52    57  -0.03700  1.0 1.0
   42    48    52    57   0.37200 -1.0 2.0
   42    48    52    57  -0.47300  1.0 3.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    50   0.00000  1.0 1.0
   44    42    48    52   0.04150 -1.0 2.0
   44    51    54    55   3.62500 -1.0 2.0
   44    51    54    60   3.62500 -1.0 2.0
   44    51    68    67   3.62500 -1.0 2.0
   44    51    68    43   3.62500 -1.0 2.0
   45    44    51    54   3.62500 -1.0 2.0
   45    44    51    68   3.62500 -1.0 2.0
   51    54    60    61   3.62500 -1.0 2.0
   51    54    60    65   3.62500 -1.0 2.0
   51    68   -43    37   3.62500 -1.0 2.0
   51    68    43    46   3.62500 -1.0 2.0
   54    51    68    67   3.62500 -1.0 2.0
   54    51    68    43   3.62500 -1.0 2.0
   54    60    65    66   3.62500 -1.0 2.0
   54    60   -65    67   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    65   3.62500 -1.0 2.0
   60    65    67    68   3.62500 -1.0 2.0
   60    65    67    69   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    67   3.62500 -1.0 2.0
   65    67   -68    51   3.62500 -1.0 2.0
   65    67    68    43   3.62500 -1.0 2.0
   65    67    69    70   0.84100 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    68    43    37   3.62500 -1.0 2.0
   67    68    43    46   3.62500 -1.0 2.0
   68    51    54    55   3.62500 -1.0 2.0
   68    51   -54    60   3.62500 -1.0 2.0
   68    67    69    70   0.84100 -1.0 2.0
   68    43    46    47   0.84100 -1.0 2.0
   43    37   -42    44   3.62500 -1.0 2.0
   43    37    42    48   3.62500 -1.0 2.0
   69    67    68    51   3.62500 -1.0 2.0
   69    67    68    43   3.62500 -1.0 2.0
   48    42    44    45   3.62500 -1.0 2.0
   48    42    44    51   3.62500 -1.0 2.0
   48    52   -56    33   0.06250  1.0 1.0
   48    52   -56    33  -0.01100 -1.0 2.0
   48    52   -56    33   0.28050  1.0 3.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    62  -1.63150  1.0 1.0
   48    52    57    62  -0.43550 -1.0 2.0
   48    52    57    62   0.24500  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    56   0.23400  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    56   0.23400  1.0 3.0
   50    48    52    57   0.15000  1.0 3.0
   52    57    62    63   0.41150 -1.0 2.0
   52    57    62    64   0.41150 -1.0 2.0
   53    52    56    33   0.37050  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62  -0.11250  1.0 3.0
   56    33   -37    42   0.64500  1.0 1.0
   56    33   -37    42   0.14800 -1.0 2.0
   56    33   -37    42   0.20650  1.0 3.0
   56    33    37    43   0.64500  1.0 1.0
   56    33    37    43   0.14800 -1.0 2.0
   56    33    37    43   0.20650  1.0 3.0
   56    33    38    39   0.23400  1.0 3.0
   56    33    38    40   0.23400  1.0 3.0
   56    33    38    41   0.23400  1.0 3.0
   56    52    57    58   0.23400  1.0 3.0
   56    52    57    59   0.23400  1.0 3.0
   56    52    57    62  -3.35100  1.0 1.0
   56    52    57    62  -0.37050 -1.0 2.0
   56    52    57    62   0.22400  1.0 3.0
   57    52    56    33   0.06250  1.0 1.0
   57    52    56    33  -0.01100 -1.0 2.0
   57    52    56    33   0.28050  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   59    57    62    63   0.00000  1.0 1.0
   59    57    62    64   0.00000  1.0 1.0
   38    33    37    42   0.04150 -1.0 2.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33    56    52   0.06250  1.0 1.0
   38    33    56    52  -0.01100 -1.0 2.0
   38    33    56    52   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   42    43    37    33   4.00000 -1.0 2.0
   44    48    42    37   4.00000 -1.0 2.0
   51    45    44    42   1.10000 -1.0 2.0
   54    68    51    44   4.00000 -1.0 2.0
   60    55    54    51   1.10000 -1.0 2.0
   65    61    60    54   1.10000 -1.0 2.0
   67    66    65    60   1.10000 -1.0 2.0
   68    69    67    65   4.00000 -1.0 2.0
   67    43    68    51   4.00000 -1.0 2.0
   68    46    43    37   4.00000 -1.0 2.0
   63    57    62    64  10.50000 -1.0 2.0
END
