* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    122    175     344
    1     0 S   NP   _N1_     1    28.85688    93.27067   -19.33041
    2     1 S   H    _HN1     2     1.02966    99.92595    34.36170
    3     1 S   H    _H1_     3     1.02846    29.71751   141.45991
    4     1 S   H    _H2_     4     1.02796    83.39971   -73.07315
    5     1 S   CT   _CA1     5     1.50096   137.92336   170.86537
    6     5 S   HC   _HA1     6     1.09569   105.30411    44.17678
    7     5 S   CO3  _C1_     7     1.53813   112.50066   -76.09102
    8     7 S   O2Z  _O11     8     1.26367   115.24286   -42.78404
    9     7 S   O2Z  _O12     9     1.26229   115.08477   137.08447
   10     5 S   CT   _CB1    10     1.53152   107.39350   162.10661
   11    10 S   HC   HB11    11     1.09822   109.50480   -51.14959
   12    10 S   HC   HB12    12     1.09744   110.22754    65.23605
   13    10 S   CT   _CG1    13     1.53001   112.79477  -172.27996
   14    13 S   HC   HG11    14     1.09487   110.36337   -58.60183
   15    13 S   HC   HG12    15     1.09625   110.08347    60.51596
   16    13 S   C    _CD1    16     1.51810   112.38510  -178.93284
   17    16 S   O    _OE1    17     1.22708   123.19469    -8.48499
   18    16 S   N    _N2_    18     1.38634   111.62771   171.71698
   19    18 S   H    _HN2    19     1.01591   119.00050     1.71029
   20    18 S   CT1  _CA2    20     1.46317   123.53001  -178.09433
   21    20 S   HC   _HA2    21     1.09732   109.35678   -14.25350
   22    20 S   C    _C2_    22     1.53401   108.20658  -129.96946
   23    22 S   O    _O2_    23     1.23005   122.27347  -145.14803
   24    20 S   CT   _CB2    32     1.53555   111.33510   107.92462
   25    24 S   HC   HB21    33     1.09429   109.44796    54.56552
   26    24 S   HC   HB22    34     1.09501   110.62646   173.39687
   27    22 S   N    _N3_    24     1.38518   113.32023    42.14433
   28    27 S   H    _HN3    25     1.01528   118.92666    -0.46352
   29    24 S   S    _SG2    35     1.82650   111.48913   -67.05175
   30    27 S   CT   _CA3    26     1.45453   123.44502   175.14598
   31    30 S   HC   HA31    27     1.09522   109.24190    24.23380
   32    30 S   HC   HA32    28     1.09495   107.11737   141.24514
   33    29 S   CT   _C15    36     1.82650   100.20739   169.13777
   34    33 S   HC   _H17    37     1.09514   106.34633   168.49833
   35    33 S   HC   _H18    38     1.09537   108.71762    54.21734
   36    30 S   CO3  _C3_    29     1.52928   113.12371   -99.24387
   37    36 S   O2Z  _O31    30     1.26402   115.41400   -44.02258
   38    36 S   O2Z  _O32    31     1.26356   114.97532   136.91223
   39    33 S   CT   _C14    39     1.53337   115.33450   -69.72840
   40    39 S   HC   _H15    40     1.09781   108.40376  -173.57969
   41    39 S   HC   _H16    41     1.09651   109.66917    71.95443
   42    39 S   C5A  _C6_    42     1.50168   113.88907   -52.95180
   43    42 S   C5B  _C5_    43     1.38383   130.19513   -64.01524
   44    43 S   N5P  _N4_    44     1.39214   111.82133   175.10619
   45    43 S   CT   _C4_    66     1.48179   128.32363    -2.69711
   46    45 S   HC   _H3_    67     1.09376   110.78619   101.55192
   47    45 S   HC   _H4_    68     1.09336   111.76954  -136.61949
   48    45 S   HC   _H5_    69     1.09482   111.03924   -17.90610
   49    44 S   CRP  _C7_    45     1.32112   114.64413     5.47568
   50    49 S   HA   _H6_    46     1.08149   124.47816   177.49056
   51    44 S   CT   _C8_    48     1.47040   125.11611  -175.96862
   52    51 S   HC   _H7_    49     1.09537   107.15927   -52.63676
   53    51 S   HC   _H8_    50     1.09729   109.85777  -168.24027
   54    42 S   SA   _S1_    47     1.72109   119.92760   116.03955
   55    51 S   CA   _C9_    51     1.50720   112.45582    70.83755
   56    55 S   CA   _C10    52     1.38893   122.24834    32.38115
   57    56 S   HA   _H9_    53     1.08541   121.71132    -0.58047
   58    56 S   NB   _N5_    54     1.34645   124.65297   179.64612
   59    58 S   CQ   _C11    55     1.34309   115.37258    -0.32984
   60    59 S   NB   _N6_    56     1.34594   125.39542    -0.92514
   61    59 S   OS   _O33    61     1.38404   120.10551   179.40390
   62    55 S   CA   _C12    57     1.39500   122.58030  -150.71593
   63    61 S   CT   _C13    62     1.42411   113.91199    -1.43163
   64    63 S   HC   _H12    63     1.09417   107.80877  -179.53061
   65    63 S   HC   _H13    64     1.09540   111.10369    62.52179
   66    63 S   HC   _H14    65     1.09541   111.12810   -61.56329
   67    62 S   NE   _N7_    58     1.39187   121.08897     2.25672
   68    67 S   H    _H10    59     1.01161   119.16173   -36.47988
   69    67 S   H    _H11    60     1.01369   115.60516   177.46704
  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   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  13   6   2   1   1
   6   2  10   4   3   1   9   7   3   5   8   6   5   3   3   2
   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    54    45  
   41    42    43    54  
   42    43    54  
   43    44    49    50    54    51    45    46    47    48  
   44    49    50    54    51    52    53    55    45    46    47    48  
   49    50    54    51    52    53    55    56    62    45    46    47    48  
   46    47    48    49    51    54  
   47    48  
   48  
    0  
   50    54    51    52    53    55  
   54    51  
   52    53    55    56    57    58    60    62    67    54  
   53    55    56    62  
   55    56    62  
    0  
   56    57    58    59    60    62    67    68    69  
   57    58    59    60    62    67    61  
   58    59    62  
   59    60    62    61    63  
   60    62    67    61    63    64    65    66  
   62    67    68    69    61    63  
   63    64    65    66    62  
   67    68    69  
   64    65    66  
   65    66  
   66  
    0  
   68    69  
   69  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.101800   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.285600   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5500   0.0700   0.952400   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   61   2.9000   0.1400  -0.310400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    54   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    51   300.000  1.456
   49    50   400.000  1.075
   49    54   260.000  1.741
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.510
   55    56   469.000  1.400
   55    62   469.000  1.400
   56    57   367.000  1.080
   56    58   483.000  1.339
   58    59   502.000  1.324
   59    60   502.000  1.324
   59    61   480.000  1.338
   60    62   483.000  1.339
   62    67   481.000  1.340
   67    68   434.000  1.010
   67    69   434.000  1.010
   61    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    54    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    54    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    51    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    50    40.00000  125.70600
   44    49    54    85.00000  110.81000
   44    51    52    50.00000  107.70000
   44    51    53    50.00000  107.70000
   44    51    55    75.00000  110.34000
   54    42    43    80.00000  111.29200
   54    49    50    35.00000  125.65300
   51    44    49    65.00000  121.70000
   51    55    56    70.00000  120.00000
   51    55    62    70.00000  120.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    58    70.00000  124.00000
   55    62    60    70.00000  124.00000
   55    62    67    70.00000  120.10000
   56    58    59    70.00000  118.60000
   58    56    57    35.00000  116.00000
   58    59    60    70.00000  129.10000
   58    59    61    95.00000  114.59000
   59    60    62    70.00000  118.60000
   59    61    63    90.00000  112.27000
   60    62    67    80.00000  117.25000
   62    55    56    63.00000  120.00000
   62    67    68    35.00000  113.50000
   62    67    69    35.00000  113.50000
   69    67    68    35.00000  109.00000
   61    59    60    95.00000  114.59000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    54  -1.00500  1.0 1.0
   33    39    42    54  -0.91300 -1.0 2.0
   33    39    42    54   0.11400  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    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    54    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    54   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    54   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    51   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -54    49   3.62500 -1.0 2.0
   43    44    49    50   3.62500 -1.0 2.0
   43    44   -49    54   3.62500 -1.0 2.0
   43    44    51    52   0.00000  1.0 1.0
   43    44    51    53   0.00000  1.0 1.0
   43    44    51    55   0.68100  1.0 1.0
   43    44    51    55   0.03350 -1.0 2.0
   43    44    51    55   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -54    42   3.62500 -1.0 2.0
   44    51    55    56   0.04300 -1.0 2.0
   44    51    55    62   0.04300 -1.0 2.0
   49    44    51    52   0.00000  1.0 1.0
   49    44    51    53   0.00000  1.0 1.0
   49    44    51    55   0.68100  1.0 1.0
   49    44    51    55   0.03350 -1.0 2.0
   49    44    51    55   0.36200  1.0 3.0
   50    49    54    42   3.62500 -1.0 2.0
   54    42   -43    44   3.62500 -1.0 2.0
   54    42    43    45   3.62500 -1.0 2.0
   51    44    49    50   3.62500 -1.0 2.0
   51    44    49    54   3.62500 -1.0 2.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55    62    60   3.62500 -1.0 2.0
   51    55    62    67   3.62500 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    62   0.00000  1.0 1.0
   55    56    58    59   3.62500 -1.0 2.0
   55    62    67    68   1.00000 -1.0 2.0
   55    62    67    69   1.00000 -1.0 2.0
   56    55    62    60   3.62500 -1.0 2.0
   56    55    62    67   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59    60    62   3.62500 -1.0 2.0
   58    59    61    63   2.62500 -1.0 2.0
   59    60   -62    55   3.62500 -1.0 2.0
   59    60    62    67   3.62500 -1.0 2.0
   59    61    63    64   0.08050  1.0 3.0
   59    61    63    65   0.08050  1.0 3.0
   59    61    63    66   0.08050  1.0 3.0
   60    59    61    63   2.62500 -1.0 2.0
   60    62    67    68   1.75000 -1.0 2.0
   60    62    67    69   1.75000 -1.0 2.0
   62    55    56    57   3.62500 -1.0 2.0
   62    55   -56    58   3.62500 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    51   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
   37    30    36    38  10.50000 -1.0 2.0
   43    54    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    51    44    43   4.00000 -1.0 2.0
   54    50    49    44   1.10000 -1.0 2.0
   56    62    55    51   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   60    67    62    55   4.00000 -1.0 2.0
   69    62    67    68   1.00000 -1.0 2.0
END
