* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    111    159     326
    1     0 S   NP   _N1_     1    28.93825    95.25918   -23.21212
    2     1 S   H    _HN1     2     1.02953    78.64636    17.18958
    3     1 S   H    _H1_     3     1.02831    32.35017   168.41199
    4     1 S   H    _H2_     4     1.02782   103.37638   -89.21221
    5     1 S   CT   _CA1     5     1.50111   137.09083   125.03880
    6     5 S   HC   _HA1     6     1.09573   105.21633    82.37113
    7     5 S   CO3  _C1_     7     1.53794   112.42414   -37.88552
    8     7 S   O2Z  _O11     8     1.26371   115.00203   -43.15152
    9     7 S   O2Z  _O12     9     1.26235   114.94751   136.02388
   10     5 S   CT   _CB1    10     1.53092   107.43121  -159.64313
   11    10 S   HC   HB11    11     1.09830   109.39617   -49.89253
   12    10 S   HC   HB12    12     1.09816   110.42906    66.70956
   13    10 S   CT   _CG1    13     1.52994   112.60908  -170.89681
   14    13 S   HC   HG11    14     1.09586   110.57692   -64.66213
   15    13 S   HC   HG12    15     1.09666   109.84686    54.56814
   16    13 S   C    _CD1    16     1.51796   112.27901   175.01909
   17    16 S   O    _OE1    17     1.22734   123.30028     4.43924
   18    16 S   N    _N2_    18     1.38643   111.65385  -175.76340
   19    18 S   H    _HN2    19     1.01594   119.00293     1.14705
   20    18 S   CT1  _CA2    20     1.46091   123.32737   178.19593
   21    20 S   HC   _HA2    21     1.09581   109.29474    -4.23720
   22    20 S   C    _C2_    22     1.53473   108.66131  -119.27450
   23    22 S   O    _O2_    23     1.23044   122.27288  -149.01593
   24    20 S   CT   _CB2    32     1.53291   111.70372   118.22941
   25    24 S   HC   HB21    33     1.09651   109.67891    60.57162
   26    24 S   HC   HB22    34     1.09564   111.01033   178.04656
   27    22 S   N    _N3_    24     1.38334   113.59453    38.55936
   28    27 S   H    _HN3    25     1.01620   119.51718    -3.63620
   29    24 S   S    _SG2    35     1.82878   114.35837   -59.26613
   30    27 S   CT   _CA3    26     1.45284   123.18303   176.95001
   31    30 S   HC   HA31    27     1.09550   107.55239   -63.47374
   32    30 S   HC   HA32    28     1.09557   107.93125    52.94944
   33    29 S   CT   _C6_    36     1.82814    99.73328   -68.15926
   34    33 S   HC   _H3_    37     1.09461   107.71171   -53.77964
   35    33 S   HC   _H4_    38     1.09311   108.87257    64.97180
   36    30 S   CO3  _C3_    29     1.52946   114.09056   174.92271
   37    36 S   O2Z  _O31    30     1.26373   116.04867    -0.31404
   38    36 S   O2Z  _O32    31     1.26425   114.41689   179.73312
   39    33 S   CT   _C8_    39     1.53513   110.17003  -174.52718
   40    39 S   HC   _H24    40     1.09646   110.21315   -50.13782
   41    39 S   CT   _C10    41     1.54455   111.60754  -171.45610
   42    41 S   HC   _H26    42     1.09624   107.43287    62.15677
   43    39 S   OH   _O13    63     1.42905   109.45853    68.52030
   44    43 S   HO   _H28    64     0.97349   107.08676   -54.54933
   45    41 S   CT   _C9_    43     1.54535   113.71214  -176.26157
   46    45 S   HC   _H25    44     1.09534   110.00731    62.24027
   47    41 S   OH   _O15    61     1.42814   109.16637   -54.00714
   48    47 S   HO   _H30    62     0.97384   107.45105   -56.53167
   49    45 S   CT   _C7_    45     1.54000   114.13706  -175.24050
   50    49 S   HC   _H23    46     1.09683   109.51277   166.13621
   51    45 S   OH   _O14    59     1.43163   109.74929   -55.04740
   52    51 S   HO   _H29    60     0.97250   107.51129    74.90114
   53    49 S   CO4  _C4_    47     1.53028   114.11891   -73.87522
   54    53 S   O    _O10    48     1.23238   121.12977   124.18552
   55    49 S   OH   _O34    57     1.42319   109.78421    49.66228
   56    55 S   HO   _H27    58     0.97286   107.32938   179.91153
   57    53 S   CT   _C5_    49     1.51796   116.78889   -58.39433
   58    57 S   HC   _H19    50     1.09247   108.98188    71.83572
   59    57 S   HC   _H20    51     1.09351   108.68347   -48.53418
   60    57 S   OS   _O16    52     1.41370   110.12102  -168.30548
   61    60 S   P3   _P18    53     1.65028   117.79593  -178.95789
   62    61 S   O2Z  _O8_    54     1.52543   104.41638   -59.63224
   63    61 S   O2Z  _O9_    55     1.52469   103.68392  -179.46624
   64    61 S   O2Z  _O33    56     1.52546   104.40880    60.68533
  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  12   7   3   1
  11   6   3   1   8   5   2   1   7   3   2   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    51    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    53    55    51    52    47    48    43    44  
   45    46    49    51    47    48    43  
   44    45    47  
    0  
   46    49    50    53    54    57    55    56    51    52    47    48  
   49    50    53    55    51    52    47  
   48    49    51  
    0  
   50    53    54    57    58    59    60    55    56    51    52  
   53    54    57    55    56    51  
   52    53    55  
    0  
   54    57    58    59    60    61    55    56  
   57    58    59    60    55  
   56    57  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64  
   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   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   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    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    51   320.000  1.410
   49    50   340.000  1.090
   49    53   317.000  1.522
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   320.000  1.410
   60    61   230.000  1.630
   61    62   525.000  1.516
   61    63   525.000  1.516
   61    64   525.000  1.516
   55    56   553.000  0.945
   51    52   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    51    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    53    63.00000  111.10000
   45    49    55    50.00000  109.50000
   45    51    52    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    53    54    80.00000  120.40000
   49    53    57    70.00000  116.00000
   49    55    56    55.00000  108.50000
   53    49    50    35.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    90.00000  108.74100
   57    53    54    80.00000  120.40000
   57    60    61    80.00000  112.68000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62   100.00000  107.00000
   60    61    63   100.00000  107.00000
   60    61    64   100.00000  107.00000
   63    61    62   140.00000  114.00000
   64    61    62   140.00000  114.00000
   64    61    63   140.00000  114.00000
   55    49    50    35.00000  109.50000
   55    49    53    90.00000  109.61100
   51    45    46    35.00000  109.50000
   51    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    51   0.86500  1.0 1.0
   39    41    45    51  -0.17500 -1.0 2.0
   39    41    45    51   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    53  -0.95700  1.0 1.0
   41    45    49    53  -0.18200 -1.0 2.0
   41    45    49    53   0.29450  1.0 3.0
   41    45    49    55   0.86500  1.0 1.0
   41    45    49    55  -0.17500 -1.0 2.0
   41    45    49    55   0.20800  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   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    51   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    53    54   0.30150 -1.0 2.0
   45    49    53    57   0.60050  1.0 1.0
   45    49    53    57   0.05600 -1.0 2.0
   45    49    53    57   0.26150  1.0 3.0
   45    49    55    56  -0.11600  1.0 1.0
   45    49    55    56  -0.09450 -1.0 2.0
   45    49    55    56   0.21250  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53  -0.11250  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   49    45    51    52  -0.11600  1.0 1.0
   49    45    51    52  -0.09450 -1.0 2.0
   49    45    51    52   0.21250  1.0 3.0
   49    53    57    58   0.00000  1.0 1.0
   49    53    57    59   0.00000  1.0 1.0
   49    53    57    60   0.55300  1.0 1.0
   49    53    57    60   1.25850 -1.0 2.0
   49    53    57    60  -0.23600  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   0.00000  1.0 1.0
   50    49    55    56   0.19450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    60    61   0.37500  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    60   0.30150 -1.0 2.0
   57    60    61    62   0.00000  1.0 1.0
   57    60    61    63   0.00000  1.0 1.0
   57    60    61    64   0.00000  1.0 1.0
   58    57    60    61   0.03000  1.0 3.0
   59    57    60    61   0.03000  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.55300  1.0 1.0
   55    49    53    57   1.25850 -1.0 2.0
   55    49    53    57  -0.23600  1.0 3.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    53  -0.09450  1.0 1.0
   51    45    49    53  -1.12950 -1.0 2.0
   51    45    49    53   0.54000  1.0 3.0
   51    45    49    55   3.75450  1.0 1.0
   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    51   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
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
END
