* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    132    213     394
    1     0 S   NP   _N1_     1    28.71587    96.16585   -23.43871
    2     1 S   H    _HN1     2     1.02947    72.91674     8.77494
    3     1 S   H    _H1_     3     1.02827    36.80975   166.19232
    4     1 S   H    _H2_     4     1.02789   106.54213   -95.87165
    5     1 S   CT   _CA1     5     1.50119   136.96029   110.60766
    6     5 S   HC   _HA1     6     1.09574   105.16608    91.14592
    7     5 S   CO3  _C1_     7     1.53763   112.51153   -29.04473
    8     7 S   O2Z  _O11     8     1.26370   114.99557   -41.57161
    9     7 S   O2Z  _O12     9     1.26240   114.93800   137.50353
   10     5 S   CT   _CB1    10     1.53067   107.41143  -150.88894
   11    10 S   HC   HB11    11     1.09837   109.29308   -49.71934
   12    10 S   HC   HB12    12     1.09811   110.48082    66.86945
   13    10 S   CT   _CG1    13     1.53005   112.64382  -170.69063
   14    13 S   HC   HG11    14     1.09575   110.69625   -67.57445
   15    13 S   HC   HG12    15     1.09674   109.72145    51.66752
   16    13 S   C    _CD1    16     1.51805   112.10025   172.10032
   17    16 S   O    _OE1    17     1.22738   123.24497    10.59169
   18    16 S   N    _N2_    18     1.38653   111.75269  -169.42622
   19    18 S   H    _HN2    19     1.01575   118.90628     1.28054
   20    18 S   CT1  _CA2    20     1.46204   123.36261   176.20894
   21    20 S   HC   _HA2    21     1.09736   109.41803     5.17794
   22    20 S   C    _C2_    22     1.53618   108.49724  -110.29438
   23    22 S   O    _O2_    23     1.23066   122.28360  -146.81536
   24    20 S   CT   _CB2    32     1.53411   111.67949   127.34376
   25    24 S   HC   HB21    33     1.09456   109.55843    55.58428
   26    24 S   HC   HB22    34     1.09370   109.69890   174.32729
   27    22 S   N    _N3_    24     1.38318   113.73640    40.52355
   28    27 S   H    _HN3    25     1.01566   119.63615    -2.95870
   29    24 S   S    _SG2    35     1.83004   111.22608   -65.05145
   30    27 S   CT   _CA3    26     1.45289   123.25962   177.29542
   31    30 S   HC   HA31    27     1.09547   107.48675   -65.34975
   32    30 S   HC   HA32    28     1.09555   108.02305    51.10827
   33    29 S   CT   _C15    36     1.87307   101.63364  -168.72448
   34    30 S   CO3  _C3_    29     1.52976   114.04590   173.12311
   35    34 S   O2Z  _O31    30     1.26382   116.07299    -0.72927
   36    34 S   O2Z  _O32    31     1.26427   114.41469   179.33324
   37    33 S   CO4  _C14    37     1.53791   105.56466    64.45005
   38    37 S   O    _O35    38     1.23090   122.34610    47.56226
   39    33 S   CT   _C6_    50     1.54249   112.09421   -61.16400
   40    39 S   HC   _H4_    51     1.09702   111.43058    46.18832
   41    37 S   CA   _C9_    39     1.47942   119.30736  -134.43268
   42    39 S   CT   _C5_    52     1.54997   114.49534   -76.72798
   43    42 S   HC   _H3_    53     1.09714   108.41328  -161.75753
   44    41 S   CA   _C10    40     1.40226   118.96762   169.64377
   45    44 S   HA   _H9_    41     1.08744   121.12696    -2.34193
   46    42 S   OS   _O36    54     1.42795   111.88461   -46.44752
   47    42 S   CT   _C4_    66     1.52891   115.22004    82.04895
   48    47 S   HC   _H6_    67     1.09081   113.49519   -70.75684
   49    47 S   HC   _H7_    68     1.09622   109.53131   171.57485
   50    47 S   HC   _H8_    69     1.09432   111.12227    52.15226
   51    44 S   CA   _C11    42     1.39468   120.27087   177.51163
   52    51 S   HA   _H10    43     1.08642   119.99627   179.88297
   53    46 S   CT   _C17    55     1.42806   115.30430    55.74051
   54    53 S   HC   _H5_    56     1.09431   109.93189    61.05152
   55    51 S   CA   _C12    44     1.39205   119.98469    -0.52414
   56    55 S   HA   _H11    45     1.08674   119.73938  -179.65226
   57    33 S   CT   _C16    57     1.54629   107.98473   178.01525
   58    57 S   HC   _H13    58     1.09846   111.15114   -50.56439
   59    57 S   HC   _H14    59     1.10002   108.12478  -166.01362
   60    53 S   CT   _C18    60     1.53012   107.52256   179.63955
   61    60 S   HC   _H15    61     1.09719   109.71853   168.63906
   62    60 S   HC   _H16    62     1.09786   109.60965    50.41829
   63    55 S   CA   _C13    46     1.39454   119.83419     0.26020
   64    60 S   CO3  _C19    63     1.53357   115.70230   -71.07565
   65    64 S   O2Z  _O38    64     1.26109   116.82513   -12.03296
   66    64 S   O2Z  _O37    65     1.26569   113.97751   168.67517
   67    41 S   CA   _C8_    47     1.39334   121.11540   -12.84732
   68    63 S   OH   _O34    70     1.36874   116.23732   179.90935
   69    68 S   HO   _H12    71     0.97394   108.91422   174.04033
   70    67 S   CO4  _C7_    48     1.47396   119.02374     3.30743
   71    70 S   O    _O33    49     1.22668   118.81706  -153.81296
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  15   5  17   8  11  13   7   8   4  14   5   2
   1   1   6   3  10   7   6   3   7   2   1   5   4   3   5   2
   1   1   4   2   1   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    39    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    70    39    40    42    53    57    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    67    70    71    39    40    42    43    46    53    54    57    58    59    60    47  
   35    36  
   36  
    0  
   38    41    44    45    51    63    67    70    39    40    42    53    57    58    59  
   41    44    67    39    57  
   40    42    43    46    53    57    58    59    47    48    49    50    41    63    67    70    71  
   42    43    46    57    47    67    70    71  
   44    45    51    52    55    63    67    70    71    57    68  
   43    46    53    54    57    60    47    48    49    50    67    70    71  
   46    53    47    48    49    50    70  
   45    51    52    55    56    63    67    70  
   51    52    55    67  
   53    54    57    58    59    60    61    62    64    47    48    49    50    70  
   48    49    50    53    70  
   49    50  
   50  
    0  
   52    55    56    63    67    68  
   55    56    63  
   54    57    58    59    60    61    62    64    65    66  
   57    58    59    60    61    62    64  
   56    63    67    70    68    69  
   63    67    68  
   58    59    60    61    62    64    70  
   59    60  
   60  
   61    62    64    65    66  
   62    64    65    66  
   64    65    66  
   67    70    71    68    69  
   65    66  
   66  
    0  
   70    71    68    69  
   69    70  
    0  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.522
   33    39   268.000  1.529
   33    57   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    67   469.000  1.400
   44    45   367.000  1.080
   44    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    67   469.000  1.400
   63    68   450.000  1.364
   67    70   310.000  1.470
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    46   320.000  1.410
   42    47   268.000  1.529
   46    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   68    69   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    57    53    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   37    41    44    60.00000  119.52600
   37    41    67    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    35.00000  120.00000
   41    44    51    63.00000  120.00000
   41    67    63    63.00000  120.00000
   41    67    70    60.00000  119.52600
   44    51    52    35.00000  120.00000
   44    51    55    63.00000  120.00000
   51    44    45    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    63    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    63    67    63.00000  120.00000
   55    63    68    70.00000  120.00000
   63    55    56    35.00000  120.00000
   63    67    70    60.00000  119.52600
   63    68    69    35.00000  113.00000
   67    41    44    63.00000  120.00000
   67    70    71    75.00000  123.78400
   67    70    39    65.00000  115.47100
   70    39    40    35.00000  109.50000
   70    39    42    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    70    71    80.00000  120.40000
   39    42    43    37.50000  110.70000
   39    42    46    50.00000  109.50000
   39    42    47    58.35000  112.70000
   42    39    40    37.50000  110.70000
   42    46    53    60.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   46    42    43    35.00000  109.50000
   46    53    54    35.00000  109.50000
   46    53    57    50.00000  109.50000
   46    53    60    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    64    70.00000  109.69300
   57    33    37    63.00000  111.10000
   57    33    39    58.35000  112.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    57    58.35000  112.70000
   60    64    65    70.00000  117.00000
   60    64    66    70.00000  117.00000
   62    60    61    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    35.00000  109.50000
   66    64    65    80.00000  126.00000
   47    42    43    37.50000  110.70000
   47    42    46    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   68    63    67    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    57    53   0.44750  1.0 1.0
   29    33    57    53  -0.17800 -1.0 2.0
   29    33    57    53   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    67   2.26350  1.0 1.0
   33    37    41    67   0.76750 -1.0 2.0
   33    37    41    67   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    46   0.62750  1.0 1.0
   33    39    42    46  -0.30950 -1.0 2.0
   33    39    42    46   0.27300  1.0 3.0
   33    39    42    47   0.56750  1.0 1.0
   33    39    42    47  -0.07550 -1.0 2.0
   33    39    42    47   0.20000  1.0 3.0
   37    33    39    70   0.11950  1.0 1.0
   37    33    39    70   0.20300 -1.0 2.0
   37    33    39    70  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    57    53  -0.95700  1.0 1.0
   37    33    57    53  -0.18200 -1.0 2.0
   37    33    57    53   0.29450  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    59  -0.11250  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41    44    51   3.62500 -1.0 2.0
   37    41    67    63   3.62500 -1.0 2.0
   37    41   -67    70   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    67   1.05000 -1.0 2.0
   41    44    51    52   3.62500 -1.0 2.0
   41    44    51    55   3.62500 -1.0 2.0
   41    67    70    71   1.05000 -1.0 2.0
   41    67    70    39   2.26350  1.0 1.0
   41    67    70    39   0.76750 -1.0 2.0
   41    67    70    39   0.22500  1.0 3.0
   44    41    67    63   3.62500 -1.0 2.0
   44    41    67    70   3.62500 -1.0 2.0
   44    51    55    56   3.62500 -1.0 2.0
   44    51   -55    63   3.62500 -1.0 2.0
   45    44    51    52   3.62500 -1.0 2.0
   45    44    51    55   3.62500 -1.0 2.0
   51    55    63    67   3.62500 -1.0 2.0
   51    55    63    68   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    63   3.62500 -1.0 2.0
   55    63   -67    41   3.62500 -1.0 2.0
   55    63    67    70   3.62500 -1.0 2.0
   55    63    68    69   0.84100 -1.0 2.0
   56    55    63    67   3.62500 -1.0 2.0
   56    55    63    68   3.62500 -1.0 2.0
   63    67    70    71   1.05000 -1.0 2.0
   63    67    70    39   2.26350  1.0 1.0
   63    67    70    39   0.76750 -1.0 2.0
   63    67    70    39   0.22500  1.0 3.0
   67    41    44    45   3.62500 -1.0 2.0
   67    41   -44    51   3.62500 -1.0 2.0
   67    63    68    69   0.84100 -1.0 2.0
   67    70   -39    33   0.05850 -1.0 2.0
   67    70   -39    33   0.17250  1.0 3.0
   67    70    39    40   0.00000  1.0 1.0
   67    70    39    42   0.05850 -1.0 2.0
   67    70    39    42   0.17250  1.0 3.0
   70    39    42    43  -0.11250  1.0 3.0
   70    39    42    46  -0.09450  1.0 1.0
   70    39    42    46  -1.12950 -1.0 2.0
   70    39    42    46   0.54000  1.0 3.0
   70    39    42    47  -0.95700  1.0 1.0
   70    39    42    47  -0.18200 -1.0 2.0
   70    39    42    47   0.29450  1.0 3.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    42   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    41   0.05850 -1.0 2.0
   39    33   -37    41   0.17250  1.0 3.0
   39    33    57    53   0.56750  1.0 1.0
   39    33    57    53  -0.07550 -1.0 2.0
   39    33    57    53   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
   39    42   -46    53   0.06250  1.0 1.0
   39    42   -46    53  -0.01100 -1.0 2.0
   39    42   -46    53   0.28050  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    49   0.15000  1.0 3.0
   39    42    47    50   0.15000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    46   0.23400  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   42    46    53    54   0.37050  1.0 3.0
   42    46    53    57   0.06250  1.0 1.0
   42    46    53    57  -0.01100 -1.0 2.0
   42    46    53    57   0.28050  1.0 3.0
   42    46    53    60   0.06250  1.0 1.0
   42    46    53    60  -0.01100 -1.0 2.0
   42    46    53    60   0.28050  1.0 3.0
   43    42    46    53   0.37050  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   46    42    47    48   0.23400  1.0 3.0
   46    42    47    49   0.23400  1.0 3.0
   46    42    47    50   0.23400  1.0 3.0
   46    53   -57    33   0.62750  1.0 1.0
   46    53   -57    33  -0.30950 -1.0 2.0
   46    53   -57    33   0.27300  1.0 3.0
   46    53    57    58   0.23400  1.0 3.0
   46    53    57    59   0.23400  1.0 3.0
   46    53    60    61   0.23400  1.0 3.0
   46    53    60    62   0.23400  1.0 3.0
   46    53    60    64  -3.35100  1.0 1.0
   46    53    60    64  -0.37050 -1.0 2.0
   46    53    60    64   0.22400  1.0 3.0
   53    60    64    65   0.41150 -1.0 2.0
   53    60    64    66   0.41150 -1.0 2.0
   54    53    57    33   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    64  -0.11250  1.0 3.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33    37    41   0.05850 -1.0 2.0
   57    33    37    41   0.17250  1.0 3.0
   57    33    39    70  -0.95700  1.0 1.0
   57    33    39    70  -0.18200 -1.0 2.0
   57    33    39    70   0.29450  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33   -39    42   0.56750  1.0 1.0
   57    33   -39    42  -0.07550 -1.0 2.0
   57    33   -39    42   0.20000  1.0 3.0
   57    53    60    61   0.15000  1.0 3.0
   57    53    60    62   0.15000  1.0 3.0
   57    53    60    64  -1.63150  1.0 1.0
   57    53    60    64  -0.43550 -1.0 2.0
   57    53    60    64   0.24500  1.0 3.0
   60    53    57    33   0.56750  1.0 1.0
   60    53    57    33  -0.07550 -1.0 2.0
   60    53    57    33   0.20000  1.0 3.0
   60    53    57    58   0.15000  1.0 3.0
   60    53    57    59   0.15000  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   62    60    64    65   0.00000  1.0 1.0
   62    60    64    66   0.00000  1.0 1.0
   47    42    46    53   0.06250  1.0 1.0
   47    42    46    53  -0.01100 -1.0 2.0
   47    42    46    53   0.28050  1.0 3.0
   68    63    67    41   3.62500 -1.0 2.0
   68    63    67    70   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    67    41    37   4.00000 -1.0 2.0
   51    45    44    41   1.10000 -1.0 2.0
   55    52    51    44   1.10000 -1.0 2.0
   63    56    55    51   1.10000 -1.0 2.0
   67    68    63    55   4.00000 -1.0 2.0
   63    70    67    41   4.00000 -1.0 2.0
   67    39    70    71  10.50000 -1.0 2.0
   65    60    64    66  10.50000 -1.0 2.0
END
