* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    146    234     437
    1     0 S   NP   _N1_     1    28.57590    94.88259   -21.55454
    2     1 S   H    _HN1     2     1.02837    30.77012   162.14202
    3     1 S   H    _H1_     3     1.02778    90.42759   -71.83186
    4     1 S   H    _H2_     4     1.02963    89.66069    36.47904
    5     1 S   CT   _CA1     5     1.50109   141.51506   160.03530
    6     5 S   HC   _HA1     6     1.09574   105.25952    60.30459
    7     5 S   CO3  _C1_     7     1.53809   112.36515   -59.95066
    8     7 S   O2Z  _O11     8     1.26357   115.01825   -44.57011
    9     7 S   O2Z  _O12     9     1.26240   114.91908   134.66051
   10     5 S   CT   _CB1    10     1.53097   107.43039   178.22414
   11    10 S   HC   HB11    11     1.09821   109.39472   -50.86667
   12    10 S   HC   HB12    12     1.09824   110.38179    65.69048
   13    10 S   CT   _CG1    13     1.52997   112.65678  -171.99835
   14    13 S   HC   HG11    14     1.09606   110.36043   -62.02478
   15    13 S   HC   HG12    15     1.09637   110.09328    57.20351
   16    13 S   C    _CD1    16     1.51795   112.28515   177.57158
   17    16 S   O    _OE1    17     1.22714   123.27278    -6.56396
   18    16 S   N    _N2_    18     1.38600   111.59493   173.63585
   19    18 S   H    _HN2    19     1.01586   119.00020     1.74001
   20    18 S   CT1  _CA2    20     1.46251   123.44267  -177.72454
   21    20 S   HC   _HA2    21     1.09731   109.46809   -12.32199
   22    20 S   C    _C2_    22     1.53410   108.19231  -128.10546
   23    22 S   O    _O2_    23     1.23007   122.27142  -144.72138
   24    20 S   CT   _CB2    32     1.53671   111.23741   109.83784
   25    24 S   HC   HB21    33     1.09228   108.78550    55.71521
   26    24 S   HC   HB22    34     1.09422   109.81925   174.32121
   27    22 S   N    _N3_    24     1.38514   113.32690    42.50886
   28    27 S   H    _HN3    25     1.01529   118.91412    -0.53959
   29    24 S   S    _SG2    35     1.82892   111.09636   -66.28942
   30    27 S   CT   _CA3    26     1.45457   123.48374   175.25191
   31    30 S   HC   HA31    27     1.09520   109.28348    23.27643
   32    30 S   HC   HA32    28     1.09496   107.10014   140.28395
   33    29 S   CT   _C14    36     1.89055   104.62712   166.35345
   34    30 S   CO3  _C3_    29     1.52925   113.12317  -100.24064
   35    34 S   O2Z  _O31    30     1.26402   115.41274   -44.09464
   36    34 S   O2Z  _O32    31     1.26357   114.97825   136.85785
   37    33 S   CT   _C13    37     1.58296   105.42327   150.80697
   38    37 S   HC   _H5_    38     1.09619   109.43998   179.52646
   39    33 S   CT   _C15    61     1.55444   111.44449    28.65692
   40    39 S   HC   _H6_    62     1.09610   109.30890   -60.31505
   41    37 S   CO4  _C12    39     1.52989   110.50321    66.31768
   42    41 S   O    _O33    40     1.22987   123.28125  -125.88394
   43    37 S   CT   _C17    71     1.53515   117.43670   -61.20654
   44    43 S   HC   _H18    72     1.09330   112.92470    56.81909
   45    43 S   HC   _H19    73     1.09209   111.72230   -66.12560
   46    43 S   HC   _H20    74     1.09682   110.36949   176.09620
   47    41 S   CT   _C11    41     1.50565   115.62268    57.65580
   48    47 S   HC   _H16    42     1.09411   108.63676    68.02537
   49    47 S   HC   _H17    43     1.09557   109.01011  -175.28208
   50    47 S   CT   _C10    44     1.51873   110.04106   -54.95321
   51    50 S   HC   _H14    45     1.09799   108.43876   174.82418
   52    50 S   HC   _H15    46     1.09820   108.10177   -71.08826
   53    33 S   CT   _C9_    47     1.61152   111.27164   -91.07792
   54    53 S   CT   _C8_    48     1.57147   110.38364   173.74646
   55    54 S   HC   _H12    49     1.09778   109.92385  -174.23272
   56    54 S   HC   _H13    50     1.09565   110.27764    69.97979
   57    53 S   CT   _C18    67     1.55458   113.78037    54.07930
   58    57 S   HC   _H21    68     1.09243   112.92736    56.99100
   59    57 S   HC   _H22    69     1.09435   112.14029   -65.43781
   60    57 S   HC   _H23    70     1.09722   110.57466   176.32592
   61    54 S   CT   _C7_    51     1.53736   114.49820   -51.71663
   62    61 S   HC   _H10    52     1.09599   109.40365   174.65507
   63    61 S   HC   _H11    53     1.09587   110.21199   -68.53924
   64    61 S   CT   _C6_    54     1.51698   109.74736    53.73714
   65    64 S   HC   _H4_    55     1.09767   108.97382    64.53772
   66    64 S   CT   _C5_    56     1.51947   118.16420  -172.45410
   67    66 S   HC   _H3_    57     1.09626   111.67692    44.06383
   68    66 S   CO4  _C16    58     1.51848    99.77102   158.35104
   69    68 S   O    _O35    59     1.22076   126.20819   159.76587
   70    66 S   CT   _C4_    63     1.51725   113.23618   -81.69774
   71    70 S   HC   _H7_    64     1.09561   111.58707   -58.68564
   72    70 S   HC   _H8_    65     1.09528   110.53259  -177.85032
   73    70 S   HC   _H9_    66     1.09438   111.00302    62.25656
   74    68 S   OS   _O34    60     1.37797   109.51927   -20.73882
  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  13   5   4   3
  28   2   1   1  18   9  18   7  12   5   5   2   1   1   8   5
   4  11   4   3  12  12   6   5   4   2   1   1   9   4   3  10
   5   8   7   6   2   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    53    54    64    74    39    40    57    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    50    51    52    53    54    55    56    61    64    65    66    68    74    39    40    57    58    59    60    43    44    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    50    53    54    64    74    39    40    57    43    44    45    46  
   41    42    47    53    39    43    44    45    46  
   40    70    57    43    41    50    53    54    61    62    63    64    65    66    67    68    69    74  
   53    61    64    65    66    68    74  
   42    47    48    49    50    51    52    53    43    44    45    46  
   47    48    49    50    43  
   44    45    46    47    53  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    57    58    59    60  
   52    53    54    57  
   53    54    57  
   54    55    56    61    62    63    64    74    57    58    59    60  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    74    70  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    74    70    71    72    73  
   66    67    68    74    70  
   67    68    69    74    70    71    72    73  
   68    69    74    70    71    72    73  
   69    74    70    71    72    73  
   74    70  
   71    72    73    74  
   72    73  
   73  
    0  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    39   268.000  1.529
   66    67   340.000  1.090
   66    68   317.000  1.522
   66    70   268.000  1.529
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    39   320.000  1.410
   39    40   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    57    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    74    50.00000  109.50000
   33    39    40    37.50000  110.70000
   37    41    42    80.00000  120.40000
   37    41    47    70.00000  116.00000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    63.00000  111.10000
   47    41    42    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    39    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    63.00000  111.10000
   64    66    70    58.35000  112.70000
   64    39    74    50.00000  109.50000
   64    39    40    37.50000  110.70000
   66    64    65    37.50000  110.70000
   66    68    69    80.00000  120.40000
   66    68    74    81.00000  111.40000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   68    66    67    35.00000  109.50000
   68    74    39    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    39    40    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    64    66    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    66    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    53    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.44750  1.0 1.0
   29    33    53    54  -0.17800 -1.0 2.0
   29    33    53    54   0.20200  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    74   0.56750  1.0 1.0
   29    33    39    74  -0.07550 -1.0 2.0
   29    33    39    74   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.60050  1.0 1.0
   33    37    41    47   0.05600 -1.0 2.0
   33    37    41    47   0.26150  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    53    54    55   0.15000  1.0 3.0
   33    53    54    56   0.15000  1.0 3.0
   33    53    54    61   0.56750  1.0 1.0
   33    53    54    61  -0.07550 -1.0 2.0
   33    53    54    61   0.20000  1.0 3.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    60   0.15000  1.0 3.0
   37    33    53    50   0.56750  1.0 1.0
   37    33    53    50  -0.07550 -1.0 2.0
   37    33    53    50   0.20000  1.0 3.0
   37    33    53    54   0.56750  1.0 1.0
   37    33    53    54  -0.07550 -1.0 2.0
   37    33    53    54   0.20000  1.0 3.0
   37    33    53    57   0.56750  1.0 1.0
   37    33    53    57  -0.07550 -1.0 2.0
   37    33    53    57   0.20000  1.0 3.0
   37    33    39    64   0.56750  1.0 1.0
   37    33    39    64  -0.07550 -1.0 2.0
   37    33    39    64   0.20000  1.0 3.0
   37    33    39    74   0.62750  1.0 1.0
   37    33    39    74  -0.30950 -1.0 2.0
   37    33    39    74   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41   -47    50   0.60050  1.0 1.0
   37    41   -47    50   0.05600 -1.0 2.0
   37    41   -47    50   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    47    50    51  -0.11250  1.0 3.0
   41    47    50    52  -0.11250  1.0 3.0
   41    47    50    53  -0.95700  1.0 1.0
   41    47    50    53  -0.18200 -1.0 2.0
   41    47    50    53   0.29450  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.30150 -1.0 2.0
   47    50   -53    33   0.56750  1.0 1.0
   47    50   -53    33  -0.07550 -1.0 2.0
   47    50   -53    33   0.20000  1.0 3.0
   47    50    53    54   0.56750  1.0 1.0
   47    50    53    54  -0.07550 -1.0 2.0
   47    50    53    54   0.20000  1.0 3.0
   47    50    53    57   0.56750  1.0 1.0
   47    50    53    57  -0.07550 -1.0 2.0
   47    50    53    57   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   0.15000  1.0 3.0
   50    53    54    56   0.15000  1.0 3.0
   50    53    54    61   0.56750  1.0 1.0
   50    53    54    61  -0.07550 -1.0 2.0
   50    53    54    61   0.20000  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53    57    60   0.15000  1.0 3.0
   51    50    53    33   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    33   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    57   0.15000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    41  -0.95700  1.0 1.0
   53    33   -37    41  -0.18200 -1.0 2.0
   53    33   -37    41   0.29450  1.0 3.0
   53    33    37    43   0.56750  1.0 1.0
   53    33    37    43  -0.07550 -1.0 2.0
   53    33    37    43   0.20000  1.0 3.0
   53    33    39    64   0.56750  1.0 1.0
   53    33    39    64  -0.07550 -1.0 2.0
   53    33    39    64   0.20000  1.0 3.0
   53    33    39    74   0.62750  1.0 1.0
   53    33    39    74  -0.30950 -1.0 2.0
   53    33    39    74   0.27300  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.56750  1.0 1.0
   53    54   -61    64  -0.07550 -1.0 2.0
   53    54   -61    64   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   54    61    64    39   0.56750  1.0 1.0
   54    61    64    39  -0.07550 -1.0 2.0
   54    61    64    39   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68  -0.95700  1.0 1.0
   61    64    66    68  -0.18200 -1.0 2.0
   61    64    66    68   0.29450  1.0 3.0
   61    64    66    70   0.56750  1.0 1.0
   61    64    66    70  -0.07550 -1.0 2.0
   61    64    66    70   0.20000  1.0 3.0
   61    64   -39    33   0.56750  1.0 1.0
   61    64   -39    33  -0.07550 -1.0 2.0
   61    64   -39    33   0.20000  1.0 3.0
   61    64    39    74   0.62750  1.0 1.0
   61    64    39    74  -0.30950 -1.0 2.0
   61    64    39    74   0.27300  1.0 3.0
   61    64    39    40   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    39   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    39   0.15000  1.0 3.0
   64    66    68    69   0.30150 -1.0 2.0
   64    66   -68    74   0.36750  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66    70    72   0.15000  1.0 3.0
   64    66    70    73   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68  -0.11250  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    74   0.23400  1.0 3.0
   65    64    39    40   0.15000  1.0 3.0
   66    64    39    33   0.56750  1.0 1.0
   66    64    39    33  -0.07550 -1.0 2.0
   66    64    39    33   0.20000  1.0 3.0
   66    64   -39    74   0.62750  1.0 1.0
   66    64   -39    74  -0.30950 -1.0 2.0
   66    64   -39    74   0.27300  1.0 3.0
   66    64    39    40   0.15000  1.0 3.0
   66    68   -74    39   1.63150  1.0 1.0
   66    68   -74    39   2.92000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    74   0.00000  1.0 1.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   68    66    70    71  -0.11250  1.0 3.0
   68    66    70    72  -0.11250  1.0 3.0
   68    66    70    73  -0.11250  1.0 3.0
   68    74    39    33  -0.25900  1.0 1.0
   68    74    39    33  -0.47000 -1.0 2.0
   68    74    39    33   0.11750  1.0 3.0
   68    74   -39    64  -0.25900  1.0 1.0
   68    74   -39    64  -0.47000 -1.0 2.0
   68    74   -39    64   0.11750  1.0 3.0
   68    74    39    40   0.08050  1.0 3.0
   69    68    74    39   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    53    50   0.56750  1.0 1.0
   39    33    53    50  -0.07550 -1.0 2.0
   39    33    53    50   0.20000  1.0 3.0
   39    33   -53    54   0.56750  1.0 1.0
   39    33   -53    54  -0.07550 -1.0 2.0
   39    33   -53    54   0.20000  1.0 3.0
   39    33    53    57   0.56750  1.0 1.0
   39    33    53    57  -0.07550 -1.0 2.0
   39    33    53    57   0.20000  1.0 3.0
   39    64    66    67   0.15000  1.0 3.0
   39    64   -66    68  -0.95700  1.0 1.0
   39    64   -66    68  -0.18200 -1.0 2.0
   39    64   -66    68   0.29450  1.0 3.0
   39    64    66    70   0.56750  1.0 1.0
   39    64    66    70  -0.07550 -1.0 2.0
   39    64    66    70   0.20000  1.0 3.0
   70    66    68    69   0.30150 -1.0 2.0
   70    66    68    74   0.36750  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    47   0.60050  1.0 1.0
   43    37    41    47   0.05600 -1.0 2.0
   43    37    41    47   0.26150  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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   66    74    68    69  10.50000 -1.0 2.0
END
