* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    119    183     354
    1     0 S   NP   _N1_     1    29.01951    94.21682   -23.11375
    2     1 S   H    _HN1     2     1.02941    84.70224    31.54806
    3     1 S   H    _H1_     3     1.02800    26.79535   178.54977
    4     1 S   H    _H2_     4     1.02945   102.08084   -75.48120
    5     1 S   CT   _CA1     5     1.50010   134.47984   144.78714
    6     5 S   HC   _HA1     6     1.09577   105.26525    71.11573
    7     5 S   CO3  _C1_     7     1.53776   112.24263   -49.02159
    8     7 S   O2Z  _O11     8     1.26374   114.96039   -43.81689
    9     7 S   O2Z  _O12     9     1.26239   114.95202   135.36293
   10     5 S   CT   _CB1    10     1.53110   107.53589  -171.13034
   11    10 S   HC   HB11    11     1.09788   109.05786   -52.96952
   12    10 S   HC   HB12    12     1.09814   110.52567    63.58590
   13    10 S   CT   _CG1    13     1.53038   112.70500  -174.02099
   14    13 S   HC   HG11    14     1.09602   110.29857   -65.52374
   15    13 S   HC   HG12    15     1.09654   110.04002    53.62559
   16    13 S   C    _CD1    16     1.51819   112.47954   173.81046
   17    16 S   O    _OE1    17     1.22739   123.25865    -5.78232
   18    16 S   N    _N2_    18     1.38742   111.65946   174.79594
   19    18 S   H    _HN2    19     1.01592   119.10055    -0.39416
   20    18 S   CT1  _CA2    20     1.46118   123.19934   179.59410
   21    20 S   HC   _HA2    21     1.09549   108.93062   -15.86073
   22    20 S   C    _C2_    22     1.53455   108.60812  -130.75802
   23    22 S   O    _O2_    23     1.23020   122.17876  -147.75486
   24    20 S   CT   _CB2    32     1.53573   112.10207   106.74862
   25    24 S   HC   HB21    33     1.09656   109.47126    62.30523
   26    24 S   HC   HB22    34     1.09573   110.91643   179.60933
   27    22 S   N    _N3_    24     1.38503   113.39783    39.82415
   28    27 S   H    _HN3    25     1.01527   118.89540    -0.68386
   29    24 S   S    _SG2    35     1.82796   114.76029   -57.37878
   30    27 S   CT   _CA3    26     1.45445   123.43685   174.74711
   31    30 S   HC   HA31    27     1.09525   109.19026    25.09298
   32    30 S   HC   HA32    28     1.09492   107.12841   142.12857
   33    29 S   CT   _C8_    36     1.82961    99.89476   -71.10317
   34    33 S   HC   _H8_    37     1.09485   107.82126   -72.43637
   35    33 S   HC   _H9_    38     1.09118   108.69632    45.62356
   36    30 S   CO3  _C3_    29     1.52945   113.18168   -98.32378
   37    36 S   O2Z  _O31    30     1.26401   115.46279   -42.20192
   38    36 S   O2Z  _O32    31     1.26361   114.93791   138.72355
   39    33 S   CT   _C7_    39     1.53653   110.43113   166.56433
   40    39 S   HC   _H5_    40     1.09697   108.68538   -48.79291
   41    39 S   CT   _C6_    41     1.54011   111.27737  -169.85270
   42    41 S   HC   _H4_    42     1.09784   109.19559   -58.43631
   43    39 S   OH   _O33    68     1.42686   108.72121    69.74310
   44    43 S   HO   _H10    69     0.97188   107.84733  -159.58548
   45    41 S   CT   _C5_    43     1.54361   114.33283  -179.27828
   46    45 S   HC   _H3_    44     1.09657   108.66833    67.75083
   47    41 S   OH   _O34    66     1.43105   109.40193    57.68723
   48    47 S   HO   _H11    67     0.97443   106.49144  -178.05449
   49    45 S   CT   _C4_    45     1.53898   116.43429   -54.24233
   50    49 S   HC   _H6_    46     1.09655   109.07817  -171.73309
   51    49 S   HC   _H7_    47     1.09564   109.60322    70.61995
   52    45 S   OH   _O35    64     1.43295   107.60207  -177.56989
   53    52 S   HO   _H12    65     0.97264   107.72427  -178.16517
   54    49 S   NE   _N4_    48     1.44974   112.26866   -50.87387
   55    54 S   H    _H13    49     1.01389   117.32030     9.16023
   56    54 S   CM   _C9_    50     1.39460   125.67786  -177.57610
   57    56 S   CM   _C10    51     1.35971   118.54807  -172.25511
   58    57 S   C    _C11    52     1.49500   118.22867  -179.89165
   59    58 S   O    _O36    53     1.22928   121.83691  -177.86247
   60    57 S   NE   _N8_    61     1.36978   127.00497     1.07647
   61    60 S   H    _H17    62     1.01078   121.22786     5.23970
   62    60 S   H    _H18    63     1.01319   119.12537   178.66265
   63    58 S   N    _N5_    54     1.37111   114.92503     1.12117
   64    63 S   H    _H14    55     1.01344   118.12008   179.35867
   65    63 S   CDX  _C12    56     1.37423   122.96695    -1.62027
   66    56 S   NI   _N6_    57     1.38664   119.42679     7.74212
   67    65 S   NE   _N7_    58     1.36587   115.98499  -179.06288
   68    67 S   H    _H15    59     1.01383   120.37479   179.92598
   69    67 S   H    _H16    60     1.01279   122.14175    -0.09891
  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
  10   5   4   2   1   1  11   6  13   7   3   1  11   7   3   1
   9   5   4   2   1   7   3  10   9   9   4   4   1   1   6   3
   4   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    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    56    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    56    57    66    52    53  
   51    54    55    56    52  
   54    55    56    52  
   53    54  
    0  
   55    56    57    58    65    66    60  
   56    57    66  
   57    58    59    63    65    66    67    60    61    62  
   58    59    63    64    65    66    60    61    62  
   59    63    64    65    66    67    60    61    62  
   63    64    65    60  
   61    62    63    66  
   62  
    0  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69  
   67    68    69  
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   55   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   66   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   67   3.2500   0.1700  -0.785000   2.1120   1.8750   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   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   382.000  1.448
   54    55   434.000  1.010
   54    56   425.000  1.378
   56    57   549.000  1.340
   56    66   405.000  1.380
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    63   490.000  1.335
   63    64   434.000  1.010
   63    65   400.000  1.380
   65    66   650.000  1.285
   65    67   445.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   60    61   434.000  1.010
   60    62   434.000  1.010
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   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    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    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    80.00000  111.61500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    35.00000  112.50000
   49    54    56    50.00000  121.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    70.00000  124.03900
   54    56    66    85.00000  113.56000
   56    54    55    35.00000  114.50000
   56    57    58    70.00000  118.70000
   56    57    60    70.00000  124.03900
   56    66    65    70.00000  116.49400
   57    58    59    80.00000  125.30000
   57    58    63    80.00000  111.56200
   57    60    61    35.00000  114.50000
   57    60    62    35.00000  114.50000
   58    63    64    35.00000  119.80000
   58    63    65    70.00000  120.51600
   63    58    59    80.00000  122.90000
   63    65    66    80.00000  119.04400
   63    65    67    85.00000  111.44000
   65    63    64    45.00000  120.05200
   65    67    68    35.00000  119.50000
   65    67    69    35.00000  119.50000
   66    56    57    70.00000  120.83400
   67    65    66    75.00000  124.36500
   69    67    68    35.00000  109.00000
   60    57    58    70.00000  117.92000
   62    60    61    35.00000  109.00000
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  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    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54   1.26750  1.0 1.0
   41    45    49    54  -0.00950 -1.0 2.0
   41    45    49    54   0.30600  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    56   0.25450  1.0 1.0
   45    49    54    56  -0.61700 -1.0 2.0
   45    49    54    56  -0.23550  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.22950  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    56    57  -0.54700  1.0 1.0
   49    54    56    57   1.23000 -1.0 2.0
   49    54    56    66   1.00000 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    60   7.00000 -1.0 2.0
   54    56    66    65   1.00000 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    66   1.00000 -1.0 2.0
   56    57    58    59   1.00000 -1.0 2.0
   56    57    58    63   0.49500  1.0 1.0
   56    57    58    63   1.31600 -1.0 2.0
   56    57    58    63  -0.02300  1.0 3.0
   56    57    60    61   1.00000 -1.0 2.0
   56    57    60    62   1.00000 -1.0 2.0
   57    56    66    65   1.00000 -1.0 2.0
   57    58    63    64   2.56700 -1.0 2.0
   57    58   -63    65   2.45000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    57    60    62   1.00000 -1.0 2.0
   58    63    65    66  -0.56400  1.0 1.0
   58    63    65    66   0.77500 -1.0 2.0
   58    63    65    66   0.18700  1.0 3.0
   58    63    65    67  -0.56400  1.0 1.0
   58    63    65    67   0.77500 -1.0 2.0
   58    63    65    67   0.18700  1.0 3.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.67200 -1.0 2.0
   63    65   -66    56   6.00000 -1.0 2.0
   63    65    67    68   1.00000 -1.0 2.0
   63    65    67    69   1.00000 -1.0 2.0
   64    63    65    66   1.00000 -1.0 2.0
   64    63    65    67   1.00000 -1.0 2.0
   66    56   -57    58   7.00000 -1.0 2.0
   66    56    57    60   7.00000 -1.0 2.0
   66    65    67    68   1.50000 -1.0 2.0
   66    65    67    69   1.50000 -1.0 2.0
   67    65    66    56   6.00000 -1.0 2.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    63   1.50000 -1.0 2.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   4.07950  1.0 1.0
   52    45    49    54  -0.26450 -1.0 2.0
   52    45    49    54  -0.12150  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   55    56    54    49   1.00000 -1.0 2.0
   54    66    56    57   1.10000 -1.0 2.0
   58    60    57    56   1.10000 -1.0 2.0
   57    63    58    59  10.50000 -1.0 2.0
   64    58    63    65   1.00000 -1.0 2.0
   63    67    65    66  10.50000 -1.0 2.0
   69    65    67    68   1.00000 -1.0 2.0
   62    57    60    61   1.00000 -1.0 2.0
END
