* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    117    169     339
    1     0 S   NP   _N1_     1    28.90197    94.00865   -22.02037
    2     1 S   H    _HN1     2     1.02965    87.20285    14.90080
    3     1 S   H    _H1_     3     1.02842    29.20191   148.73663
    4     1 S   H    _H2_     4     1.02801    95.01949   -93.14736
    5     1 S   CT   _CA1     5     1.50110   139.33517   133.86072
    6     5 S   HC   _HA1     6     1.09578   105.26413    67.35282
    7     5 S   CO3  _C1_     7     1.53862   112.40302   -52.82936
    8     7 S   O2Z  _O11     8     1.26395   115.13599   -47.18616
    9     7 S   O2Z  _O12     9     1.26214   114.93119   132.18260
   10     5 S   CT   _CB1    10     1.53071   107.34044  -174.89270
   11    10 S   HC   HB11    11     1.09834   109.48858   -52.27792
   12    10 S   HC   HB12    12     1.09656   110.24302    63.99111
   13    10 S   CT   _CG1    13     1.52973   112.73079  -173.32068
   14    13 S   HC   HG11    14     1.09587   110.67016   -61.38145
   15    13 S   HC   HG12    15     1.09651   109.78475    57.85688
   16    13 S   C    _CD1    16     1.51765   112.28580   178.71702
   17    16 S   O    _OE1    17     1.22727   123.24548     7.60971
   18    16 S   N    _N2_    18     1.38643   111.71625  -173.27296
   19    18 S   H    _HN2    19     1.01593   119.07991     2.14940
   20    18 S   CT1  _CA2    20     1.46159   123.27411   179.72024
   21    20 S   HC   _HA2    21     1.09573   109.10351    -4.02759
   22    20 S   C    _C2_    22     1.53428   108.84503  -119.14340
   23    22 S   O    _O2_    23     1.23044   122.22586  -149.71452
   24    20 S   CT   _CB2    32     1.53403   111.65892   118.27129
   25    24 S   HC   HB21    33     1.09647   109.61466    61.10969
   26    24 S   HC   HB22    34     1.09557   111.23277   178.81733
   27    22 S   N    _N3_    24     1.38318   113.61714    37.86384
   28    27 S   H    _HN3    25     1.01616   119.53476    -3.68180
   29    24 S   S    _SG2    35     1.82745   113.67625   -58.28645
   30    27 S   CT   _CA3    26     1.45283   123.18319   176.93478
   31    30 S   HC   HA31    27     1.09550   107.53787   -63.75036
   32    30 S   HC   HA32    28     1.09557   107.94912    52.67648
   33    29 S   CT   _C10    36     1.82656    99.79327   -75.49223
   34    33 S   HC   _H16    37     1.09398   110.44539    43.34187
   35    33 S   HC   _H17    38     1.09470   108.07526   -74.66294
   36    30 S   CO3  _C3_    29     1.52947   114.08668   174.65027
   37    36 S   O2Z  _O31    30     1.26374   116.05084    -0.69408
   38    36 S   O2Z  _O32    31     1.26425   114.41616   179.36265
   39    33 S   CT   _C9_    39     1.52976   110.93873   165.20451
   40    39 S   HC   _H14    40     1.09553   108.67547   172.68195
   41    39 S   HC   _H15    41     1.09610   110.56705    55.10837
   42    39 S   NX   _N5_    42     1.46092   111.19606   -67.67781
   43    42 S   H    _H13    43     1.01879   108.89874    43.26576
   44    42 S   P1   _P1_    44     1.65791   119.40964   179.56210
   45    44 S   O2Z  _O34    45     1.50921   114.50350    49.48569
   46    44 S   NX   _N4_    46     1.67468   106.59815   177.84060
   47    46 S   CT   _C6_    47     1.47819   116.32325    72.99158
   48    47 S   HC   _H3_    48     1.09661   109.17077   -72.24274
   49    46 S   CT   _C7_    58     1.48001   118.12168   -60.36116
   50    49 S   HC   _H9_    59     1.09648   109.69017    69.22984
   51    49 S   HC   _H10    60     1.09648   109.79894  -173.23016
   52    47 S   CT   _C4_    49     1.53364   111.59232    48.41731
   53    52 S   HC   _H4_    50     1.09673   109.69237   179.25717
   54    52 S   HC   _H5_    51     1.09822   108.95545    63.37984
   55    47 S   OH   _O35    56     1.42949   112.50224   168.17362
   56    55 S   HO   _H8_    57     0.97634   106.99022   168.03784
   57    49 S   CT   _C8_    61     1.52683   113.18942   -53.42713
   58    57 S   Cl   Cl1_    62     1.78352   110.17968  -173.74727
   59    57 S   HC   _H11    63     1.09252   111.82649    68.00213
   60    57 S   HC   _H12    64     1.09411   111.45273   -54.51621
   61    52 S   CT   _C5_    52     1.51744   112.28050   -58.46985
   62    61 S   HC   _H6_    53     1.09418   110.12307  -179.88809
   63    61 S   HC   _H7_    54     1.09461   111.65477   -60.14781
   64    44 S   OS   _O33    55     1.62785   105.63528   -70.36122
  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   8   4  14   5  16  14   7
   9   5   4   8   6   5   2   1   3   2   1   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64  
   41    42    43    44  
   42    43    44  
   43    44    45    46    47    61    64    49  
   44    45    46    64  
   45    46    47    48    52    61    62    63    64    55    49    50    51    57  
   46    47    61    64    49  
   47    48    52    53    54    61    64    55    56    49    50    51    57    58    59    60  
   48    52    53    54    61    62    63    64    55    56    49    50    51    57  
   52    53    54    61    55    56    49  
   50    51    57    58    59    60    52    55    64  
   51    57    58    59    60  
   57    58    59    60  
   53    54    61    62    63    64    55    56  
   54    61    62    63    64    55  
   61    62    63    64    55  
   56    61  
    0  
   58    59    60  
   59    60  
   60  
    0  
   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  -0.060200   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.566600   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.294300   0.9960   0.8600   0.030040813  -0.651083722
   44   3.7400   0.2000   1.279300   2.1070   1.8700   0.005000000   0.000000000
   45   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.332100   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5000   0.0660   0.264800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060200   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   59   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
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   310.000  1.452
   42    43   505.000  1.018
   42    44   305.000  1.702
   44    45   675.000  1.490
   44    46   305.000  1.702
   44    64   405.000  1.623
   46    47   310.000  1.452
   46    49   310.000  1.452
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   320.000  1.410
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   245.000  1.781
   57    59   340.000  1.090
   57    60   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    75.00000  110.98300
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    50.00000  108.89700
   39    42    44    60.00000  116.07500
   41    39    40    33.00000  107.80000
   42    39    40    50.00000  110.67200
   42    39    41    50.00000  110.67200
   42    44    45    85.00000  116.90400
   42    44    46    90.00000  104.15300
   42    44    64   105.00000  102.60700
   44    42    43    40.00000  115.80200
   44    46    47    60.00000  116.07500
   44    46    49    60.00000  116.07500
   44    64    61    75.00000  119.24600
   46    44    45    85.00000  116.90400
   46    47    48    50.00000  110.67200
   46    47    52    75.00000  110.98300
   46    47    55   100.00000  111.06000
   46    49    50    50.00000  110.67200
   46    49    51    50.00000  110.67200
   46    49    57    75.00000  110.98300
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    61    58.35000  112.70000
   47    55    56    55.00000  108.50000
   52    47    48    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    50.00000  109.50000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    44    45   100.00000  115.86100
   64    44    46   105.00000  102.60700
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   55    47    48    35.00000  109.50000
   55    47    52    50.00000  109.50000
   49    46    47    75.00000  110.49400
   49    57    58    69.00000  109.80000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   59    57    58    51.00000  107.60000
   60    57    58    51.00000  107.60000
   60    57    59    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   0.14900  1.0 1.0
   33    39    42    43  -0.14450 -1.0 2.0
   33    39    42    43  -0.19400  1.0 3.0
   33    39    42    44  -2.23400  1.0 1.0
   33    39    42    44  -0.50500 -1.0 2.0
   33    39    42    44   0.66300  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   0.15000  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   0.15000  1.0 3.0
   39    42    44    45   0.00000  1.0 1.0
   39    42    44    46   0.50000  1.0 3.0
   39    42    44    64   0.29300  1.0 1.0
   39    42    44    64  -1.33650 -1.0 2.0
   39    42    44    64   0.62200  1.0 3.0
   40    39    42    43   0.20000  1.0 3.0
   40    39    42    44   0.05900  1.0 3.0
   41    39    42    43   0.20000  1.0 3.0
   41    39    42    44   0.05900  1.0 3.0
   42    44    46    47   0.50000  1.0 3.0
   42    44    46    49   0.50000  1.0 3.0
   42    44    64    61  -0.14600  1.0 1.0
   42    44    64    61  -0.87400 -1.0 2.0
   42    44    64    61   0.68500  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.50000  1.0 3.0
   43    42    44    64   0.07350  1.0 1.0
   43    42    44    64  -1.26400 -1.0 2.0
   43    42    44    64   0.45050  1.0 3.0
   44    46    47    48   0.05900  1.0 3.0
   44    46    47    52  -2.23400  1.0 1.0
   44    46    47    52  -0.50500 -1.0 2.0
   44    46    47    52   0.66300  1.0 3.0
   44    46    47    55   0.23200  1.0 1.0
   44    46    47    55   0.02100 -1.0 2.0
   44    46    47    55   0.24950  1.0 3.0
   44    46    49    50   0.05900  1.0 3.0
   44    46    49    51   0.05900  1.0 3.0
   44    46    49    57  -2.23400  1.0 1.0
   44    46    49    57  -0.50500 -1.0 2.0
   44    46    49    57   0.66300  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    49   0.00000  1.0 1.0
   45    44    64    61   0.00000  1.0 1.0
   46    44    64    61  -0.14600  1.0 1.0
   46    44    64    61  -0.87400 -1.0 2.0
   46    44    64    61   0.68500  1.0 3.0
   46    47    52    53   0.15000  1.0 3.0
   46    47    52    54   0.15000  1.0 3.0
   46    47   -52    61   1.53400  1.0 1.0
   46    47   -52    61  -0.09950 -1.0 2.0
   46    47   -52    61   0.05700  1.0 3.0
   46    47    55    56   0.35600  1.0 1.0
   46    47    55    56  -0.10750 -1.0 2.0
   46    47    55    56  -0.54400  1.0 3.0
   46    49    57    58   0.56750  1.0 1.0
   46    49    57    58  -0.07550 -1.0 2.0
   46    49    57    58   0.20000  1.0 3.0
   46    49    57    59   0.15000  1.0 3.0
   46    49    57    60   0.15000  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    57   0.23450  1.0 1.0
   47    46    49    57   0.02050 -1.0 2.0
   47    46    49    57   0.25250  1.0 3.0
   47    52    61    62   0.15000  1.0 3.0
   47    52    61    63   0.15000  1.0 3.0
   47    52    61    64   0.62750  1.0 1.0
   47    52    61    64  -0.30950 -1.0 2.0
   47    52    61    64   0.27300  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    61   0.15000  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   52    47    55    56  -0.11600  1.0 1.0
   52    47    55    56  -0.09450 -1.0 2.0
   52    47    55    56   0.21250  1.0 3.0
   52    61   -64    44  -2.65550  1.0 1.0
   52    61   -64    44  -0.22350 -1.0 2.0
   52    61   -64    44   0.24150  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    64   0.23400  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    64   0.23400  1.0 3.0
   62    61    64    44   0.03000  1.0 3.0
   63    61    64    44   0.03000  1.0 3.0
   64    44   -46    47   0.29300  1.0 1.0
   64    44   -46    47  -1.33650 -1.0 2.0
   64    44   -46    47   0.62200  1.0 3.0
   64    44    46    49   0.29300  1.0 1.0
   64    44    46    49  -1.33650 -1.0 2.0
   64    44    46    49   0.62200  1.0 3.0
   55    47    52    53   0.23400  1.0 3.0
   55    47    52    54   0.23400  1.0 3.0
   55    47    52    61   0.86500  1.0 1.0
   55    47    52    61  -0.17500 -1.0 2.0
   55    47    52    61   0.20800  1.0 3.0
   49    46    47    48   0.00000  1.0 1.0
   49    46    47    52   0.58650  1.0 1.0
   49    46    47    52   0.12600 -1.0 2.0
   49    46    47    52   0.33350  1.0 3.0
   49    46    47    55   0.23200  1.0 1.0
   49    46    47    55   0.02100 -1.0 2.0
   49    46    47    55   0.24950  1.0 3.0
   50    49    57    58   0.27000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    60   0.15000  1.0 3.0
   51    49    57    58   0.27000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   51    49    57    60   0.15000  1.0 3.0
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    44    42    39   1.00000 -1.0 2.0
   49    44    46    47   1.00000 -1.0 2.0
END
