* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    191     361
    1     0 S   NP   _N1_     1    28.64870    95.44142   -21.58519
    2     1 S   H    _HN1     2     1.02961    84.32199    27.02025
    3     1 S   H    _H1_     3     1.02836    34.77287   158.24613
    4     1 S   H    _H2_     4     1.02777    91.26155   -81.27100
    5     1 S   CT   _CA1     5     1.50101   144.98369   144.97917
    6     5 S   HC   _HA1     6     1.09566   105.27572    67.23244
    7     5 S   CO3  _C1_     7     1.53787   112.42146   -53.11366
    8     7 S   O2Z  _O11     8     1.26364   115.03781   -42.63785
    9     7 S   O2Z  _O12     9     1.26234   114.99384   136.75763
   10     5 S   CT   _CB1    10     1.53106   107.45097  -174.70380
   11    10 S   HC   HB11    11     1.09822   109.48538   -49.84080
   12    10 S   HC   HB12    12     1.09824   110.33064    66.75087
   13    10 S   CT   _CG1    13     1.53003   112.65142  -170.91425
   14    13 S   HC   HG11    14     1.09602   110.43125   -61.66869
   15    13 S   HC   HG12    15     1.09640   110.03337    57.57910
   16    13 S   C    _CD1    16     1.51798   112.31405   178.08011
   17    16 S   O    _OE1    17     1.22714   123.29193    -3.33061
   18    16 S   N    _N2_    18     1.38620   111.58477   176.53220
   19    18 S   H    _HN2    19     1.01590   118.98751     2.17106
   20    18 S   CT1  _CA2    20     1.46240   123.42289  -177.40550
   21    20 S   HC   _HA2    21     1.09726   109.43403   -11.04118
   22    20 S   C    _C2_    22     1.53381   108.43103  -126.88658
   23    22 S   O    _O2_    23     1.23014   122.19141  -145.57816
   24    20 S   CT   _CB2    32     1.53439   111.15652   110.94883
   25    24 S   HC   HB21    33     1.09591   109.60915    55.94116
   26    24 S   HC   HB22    34     1.09489   110.65323   174.69792
   27    22 S   N    _N3_    24     1.38489   113.37612    41.73919
   28    27 S   H    _HN3    25     1.01528   118.92747    -0.65551
   29    24 S   S    _SG2    35     1.82845   111.60576   -65.52673
   30    27 S   CT   _CA3    26     1.45462   123.51620   175.12440
   31    30 S   HC   HA31    27     1.09517   109.32821    22.53425
   32    30 S   HC   HA32    28     1.09498   107.09881   139.55689
   33    29 S   CT   _C10    36     1.83470    99.54262   152.24864
   34    33 S   HC   _H4_    37     1.09541   107.52391   -50.67172
   35    30 S   CO3  _C3_    29     1.52922   113.05301  -101.00390
   36    35 S   O2Z  _O31    30     1.26405   115.38000   -44.79786
   37    35 S   O2Z  _O32    31     1.26350   114.99578   136.11251
   38    33 S   CT   _C11    38     1.51949   111.94531    74.04721
   39    38 S   HC   _H5_    39     1.09407   115.36841   -34.40997
   40    38 S   CT   _C12    40     1.52407   103.10090    87.84617
   41    40 S   HC   _H6_    41     1.09722   110.37333   -80.51180
   42    38 S   OH   _O38    68     1.42714   108.83876  -154.78154
   43    42 S   HO   _H12    69     0.97276   107.60387    67.80884
   44    40 S   OS   _O33    42     1.44050   105.69347    33.73993
   45    40 S   CT   _C13    59     1.52230   114.93209   154.50981
   46    45 S   HC   _H9_    60     1.09436   110.52103    51.16235
   47    45 S   HC   _H10    61     1.09462   111.17109   -70.82160
   48    33 S   CO   _C9_    43     1.53579   109.90702  -172.20620
   49    48 S   HC   _H3_    44     1.09658   113.94417    17.14278
   50    45 S   OS   _O34    62     1.42555   108.57225   170.65052
   51    48 S   N*   _N6_    45     1.45863   112.46159   137.46360
   52    50 S   P2   _P1_    63     1.63195   118.70344  -172.23666
   53    52 S   O2Z  _O37    64     1.51157   108.47162  -177.17381
   54    52 S   O2Z  _O35    65     1.51132   110.07090   -42.82724
   55    51 S   CRAB _C8_    46     1.36863   127.84182    98.39833
   56    55 S   HA   _H8_    47     1.08186   122.84387     0.38052
   57    52 S   OS   _O36    66     1.63108    99.16154    70.94664
   58    57 S   HO   _H11    67     0.97883   115.96030    82.94294
   59    55 S   NNA  _N7_    48     1.31690   112.04683  -179.48642
   60    59 S   C56B _C6_    49     1.37533   105.06761     0.20174
   61    51 S   C56A _C7_    50     1.37061   124.96155   -80.70863
   62    61 S   NB   _N5_    51     1.34230   127.77936    -0.13417
   63    62 S   CQ   _C4_    52     1.34751   110.65737   179.78694
   64    63 S   HA   _H7_    53     1.08473   115.87359   179.89913
   65    63 S   NB   _N4_    54     1.35396   128.56922    -0.13417
   66    60 S   CA   _C5_    55     1.40340   131.79964   179.70261
   67    66 S   NND  _N8_    56     1.38123   122.22986     0.23656
   68    67 S   H    _H13    57     1.01071   120.40151     0.11869
   69    67 S   H    _H14    58     1.01019   119.29151  -180.00000
  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  10   5   4   3
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   4   3   2   6   3   1   1   6   8   6   4   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    61    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    61    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    59    60    61    62  
   51    55    61  
   52    53    54    57    58  
   55    56    59    60    61    62    63    66  
   53    54    57    58  
   54    57    58  
   57    58  
   56    59    60    61    62    66  
   59    60    61  
   58  
    0  
   60    61    62    65    66    67  
   61    62    63    65    66    67    68    69  
   62    63    64    65    66    67  
   63    64    65    66  
   64    65    66    67  
   65    66  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   440.000  1.371
   51    61   436.000  1.374
   55    56   367.000  1.080
   55    59   529.000  1.304
   59    60   414.000  1.391
   60    61   447.000  1.419
   60    66   469.000  1.404
   61    62   461.000  1.354
   62    63   502.000  1.324
   63    64   367.000  1.080
   63    65   502.000  1.324
   65    66   483.000  1.339
   66    67   481.000  1.340
   67    68   434.000  1.010
   67    69   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    58   553.000  0.945
   42    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  128.80000
   48    51    61    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  123.05000
   51    55    59    70.00000  113.90000
   51    61    60    70.00000  106.20000
   51    61    62    70.00000  126.20000
   55    59    60    70.00000  103.80000
   59    55    56    35.00000  123.05000
   59    60    61    70.00000  110.40000
   59    60    66    70.00000  132.40000
   60    61    62    70.00000  127.70000
   60    66    65    70.00000  117.30000
   60    66    67    70.00000  123.50000
   61    51    55    70.00000  105.40000
   61    62    63    70.00000  111.00000
   62    63    64    35.00000  115.45000
   62    63    65    70.00000  129.10000
   63    65    66    70.00000  118.60000
   65    63    64    35.00000  115.45000
   65    66    67    70.00000  119.30000
   66    60    61    85.00000  116.20000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   69    67    68    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    58    45.00000  108.50000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   1.10250  1.0 1.0
   33    48    51    55   0.01650 -1.0 2.0
   33    48    51    55   0.39100  1.0 3.0
   33    48    51    61   1.10250  1.0 1.0
   33    48    51    61   0.01650 -1.0 2.0
   33    48    51    61   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55   0.10350  1.0 1.0
   44    48    51    55  -0.15350 -1.0 2.0
   44    48    51    61   0.10350  1.0 1.0
   44    48    51    61  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   48    51    61    60   0.81400  1.0 1.0
   48    51    61    60   1.55550 -1.0 2.0
   48    51    61    62   3.62500 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    61   0.00000  1.0 1.0
   51    55   -59    60   3.62500 -1.0 2.0
   51    61    62    63   3.62500 -1.0 2.0
   55    51   -61    60   0.70250  1.0 1.0
   55    51   -61    60   1.56150 -1.0 2.0
   55    51    61    62   3.62500 -1.0 2.0
   55    59   -60    61   3.62500 -1.0 2.0
   55    59    60    66   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   59    60   -61    51   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    66    65   3.62500 -1.0 2.0
   59    60    66    67   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    66    67    68   0.70000 -1.0 2.0
   60    66    67    69   0.70000 -1.0 2.0
   61    51    55    56   3.62500 -1.0 2.0
   61    51   -55    59   3.62500 -1.0 2.0
   61    60    66    65   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62   -63    65   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   63    65   -66    60   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    66    67    68   0.70000 -1.0 2.0
   65    66    67    69   0.70000 -1.0 2.0
   66    60    61    51   3.00000 -1.0 2.0
   66    60   -61    62   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    58   0.00000  1.0 1.0
   53    52    57    58   0.00000  1.0 1.0
   54    52    57    58   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   55    61    51    48   4.00000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   61    66    60    59   4.00000 -1.0 2.0
   60    62    61    51   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   65    67    66    60   4.00000 -1.0 2.0
   69    66    67    68   1.00000 -1.0 2.0
END
