* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    117    185     342
    1     0 S   NP   _N1_     1    28.97610    95.41297   -24.34210
    2     1 S   H    _HN1     2     1.02827    33.15264  -175.63040
    3     1 S   H    _H1_     3     1.02782   111.42295   -85.45737
    4     1 S   H    _H2_     4     1.02952    74.89793    18.70660
    5     1 S   CT   _CA1     5     1.50123   131.08175   122.79527
    6     5 S   HC   _HA1     6     1.09573   105.19265    90.17698
    7     5 S   CO3  _C1_     7     1.53789   112.46613   -30.02347
    8     7 S   O2Z  _O11     8     1.26370   115.00483   -41.78042
    9     7 S   O2Z  _O12     9     1.26240   114.95180   137.33393
   10     5 S   CT   _CB1    10     1.53080   107.41046  -151.85250
   11    10 S   HC   HB11    11     1.09831   109.34805   -49.81132
   12    10 S   HC   HB12    12     1.09815   110.43709    66.78039
   13    10 S   CT   _CG1    13     1.52991   112.64252  -170.82185
   14    13 S   HC   HG11    14     1.09583   110.58528   -65.61529
   15    13 S   HC   HG12    15     1.09669   109.83679    53.62793
   16    13 S   C    _CD1    16     1.51796   112.25774   174.03405
   17    16 S   O    _OE1    17     1.22732   123.30606     5.05001
   18    16 S   N    _N2_    18     1.38649   111.66825  -175.02776
   19    18 S   H    _HN2    19     1.01591   118.98316     1.32397
   20    18 S   CT1  _CA2    20     1.46087   123.33386   177.74545
   21    20 S   HC   _HA2    21     1.09591   109.31080    -0.57946
   22    20 S   C    _C2_    22     1.53525   108.81003  -115.66680
   23    22 S   O    _O2_    23     1.23059   122.21647  -149.56478
   24    20 S   CT   _CB2    32     1.53271   111.67551   121.83364
   25    24 S   HC   HB21    33     1.09650   109.71536    60.61279
   26    24 S   HC   HB22    34     1.09566   110.99098   178.08378
   27    22 S   N    _N3_    24     1.38315   113.70653    38.01270
   28    27 S   H    _HN3    25     1.01601   119.55034    -3.64771
   29    24 S   S    _SG2    35     1.82848   114.39246   -59.30900
   30    27 S   CT   _CA3    26     1.45284   123.19998   176.96675
   31    30 S   HC   HA31    27     1.09550   107.53967   -63.75316
   32    30 S   HC   HA32    28     1.09557   107.94807    52.67561
   33    29 S   CT   _C13    36     1.82634    99.77159   -66.54288
   34    33 S   HC   _H10    37     1.09476   108.06823   -49.63421
   35    33 S   HC   _H11    38     1.09336   108.76073    68.98488
   36    30 S   CO3  _C3_    29     1.52952   114.08556   174.65078
   37    36 S   O2Z  _O31    30     1.26375   116.05566    -0.56924
   38    36 S   O2Z  _O32    31     1.26426   114.41448   179.48452
   39    33 S   CT   _C12    39     1.52777   110.51519  -170.23429
   40    39 S   HC   _H6_    40     1.09840   110.19767   -51.34601
   41    39 S   CT   _C11    41     1.52252   112.36633  -174.71146
   42    41 S   HC   _H5_    42     1.09701   110.46704   -42.14922
   43    41 S   CT   _C10    43     1.51698   101.84587  -158.55742
   44    43 S   HC   _H4_    44     1.09436   112.62547   160.36640
   45    41 S   OH   _O35    63     1.41257   112.17964    79.36147
   46    45 S   HO   _H12    64     0.97235   107.65455   164.65146
   47    43 S   CO   _C9_    45     1.52813   102.05994    36.41260
   48    47 S   HC   _H3_    46     1.09595   112.65571  -140.42721
   49    43 S   OH   _O36    61     1.42742   110.10723   -79.62502
   50    49 S   HO   _H13    62     0.97293   107.48827   178.39355
   51    47 S   N*   _N6_    47     1.45348   113.06665    97.80529
   52    39 S   OS   _O34    60     1.44044   110.68741    68.78871
   53    51 S   CRA  _C8_    48     1.37319   127.69434   -96.41577
   54    53 S   HA   _H9_    49     1.08165   122.67187    -0.59116
   55    53 S   N5B  _N7_    50     1.31899   112.33251   179.36882
   56    55 S   C5B  _C6_    51     1.36409   104.12583    -0.05935
   57    51 S   C5A  _C7_    52     1.36799   125.47496    82.63737
   58    57 S   NI   _N5_    53     1.35528   126.81447     0.22206
   59    58 S   CDX  _C4_    54     1.30104   111.82539  -179.84934
   60    59 S   HC   _H7_    55     1.10120   121.44102  -179.92867
   61    59 S   N    _N4_    56     1.39628   125.71287     0.09891
   62    61 S   H    _H8_    57     1.01475   118.86150  -180.00000
   63    56 S   C    _C5_    58     1.44194   128.77107  -179.78694
   64    63 S   O    _O33    59     1.22491   124.09412    -0.32021
  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  12   6  11   7  11   7   4   1  11   5
   3   1   9   2   6   3   6   7   6   5   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    57    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    56    57    58    52    49    50  
   51    53    57    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    59    63    52  
   53    57  
   54    55    56    57    58    63  
   55    56    57  
   56    57    58    61    63    64  
   57    58    59    61    62    63    64  
   58    59    60    61    63    64  
   59    60    61    62    63  
   60    61    62    63    64  
   61    62    63  
   62    63    64  
   63    64  
   64  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5500   0.0700   0.121500   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.068200   2.5000   1.7750   0.001000000  -0.843144165
   58   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   59   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.638500   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
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    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   477.000  1.343
   51    57   427.000  1.381
   53    54   367.000  1.080
   53    55   488.000  1.335
   55    56   410.000  1.394
   56    57   520.000  1.370
   56    63   310.000  1.477
   57    58   440.000  1.363
   58    59   650.000  1.285
   59    60   370.000  1.091
   59    61   400.000  1.380
   61    62   434.000  1.010
   61    63   490.000  1.335
   63    64   570.000  1.229
   49    50   553.000  0.945
   45    46   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    52    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    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    60.00000  127.66100
   47    51    57    65.00000  127.50000
   51    47    48    55.00000  103.44000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  120.00000
   51    57    56    70.00000  106.30000
   51    57    58    70.00000  120.54000
   53    55    56    70.00000  110.00000
   55    53    54    35.00000  120.00000
   55    56    57    70.00000  111.00000
   55    56    63    65.00000  122.69000
   56    57    58    65.00000  132.24000
   56    63    61    75.00000  113.48100
   56    63    64    80.00000  122.33200
   57    51    53    70.00000  109.80000
   57    58    59    85.00000  107.58000
   58    59    60    45.00000  121.92500
   58    59    61    80.00000  119.04400
   59    61    62    45.00000  120.05200
   59    61    63    70.00000  120.51600
   61    59    60    45.00000  112.72000
   61    63    64    80.00000  122.90000
   63    56    57    60.00000  124.35000
   63    61    62    35.00000  119.80000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    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    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  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    52   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    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.64600  1.0 1.0
   41    43    47    51   0.58400 -1.0 2.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   1.10250  1.0 1.0
   43    47    51    53   0.01650 -1.0 2.0
   43    47    51    53   0.39100  1.0 3.0
   43    47    51    57   1.10250  1.0 1.0
   43    47    51    57   0.01650 -1.0 2.0
   43    47    51    57   0.39100  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    57    56   0.81400  1.0 1.0
   47    51    57    56   1.55550 -1.0 2.0
   47    51    57    58   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    57   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53   -55    56   5.00000 -1.0 2.0
   51    57    58    59   1.25000 -1.0 2.0
   53    51   -57    56   1.40000 -1.0 2.0
   53    51    57    58   3.62500 -1.0 2.0
   53    55   -56    57   2.40000 -1.0 2.0
   53    55    56    63   3.62500 -1.0 2.0
   54    53    55    56   5.00000 -1.0 2.0
   55    56   -57    51   5.37500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    63    61   1.61600  1.0 1.0
   55    56    63    61  -0.04750 -1.0 2.0
   55    56    63    61   0.11700  1.0 3.0
   55    56    63    64   1.05000 -1.0 2.0
   56    57    58    59   1.25000 -1.0 2.0
   57    51    53    54   2.32500 -1.0 2.0
   57    51   -53    55   2.32500 -1.0 2.0
   57    56    63    61   0.75700  1.0 1.0
   57    56    63    61   0.34650 -1.0 2.0
   57    56    63    61   0.33000  1.0 3.0
   57    56    63    61  -0.28100 -1.0 4.0
   57    56    63    64   1.05000 -1.0 2.0
   57    58    59    60   4.00000 -1.0 2.0
   57    58   -59    61   6.00000 -1.0 2.0
   58    59    61    62   1.00000 -1.0 2.0
   58    59    61    63  -0.56400  1.0 1.0
   58    59    61    63   0.77500 -1.0 2.0
   58    59    61    63   0.18700  1.0 3.0
   59    61   -63    56   2.45000 -1.0 2.0
   59    61    63    64   2.67200 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   1.44600  1.0 1.0
   62    61    63    56   2.56700 -1.0 2.0
   62    61    63    64   2.45000 -1.0 2.0
   63    56    57    51   3.62500 -1.0 2.0
   63    56   -57    58   3.62500 -1.0 2.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.10350  1.0 1.0
   52    47    51    53  -0.15350 -1.0 2.0
   52    47    51    57   0.10350  1.0 1.0
   52    47    51    57  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   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
   53    57    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    63    56    55   4.00000 -1.0 2.0
   56    58    57    51   4.00000 -1.0 2.0
   61    60    59    58  10.50000 -1.0 2.0
   62    59    61    63   1.00000 -1.0 2.0
   56    61    63    64  10.50000 -1.0 2.0
END
