* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    133    209     379
    1     0 S   NP   _N1_     1    28.77459    92.05687   -19.29839
    2     1 S   H    _HN1     2     1.02837    24.90932   119.63726
    3     1 S   H    _H1_     3     1.02782    83.19361   -67.99112
    4     1 S   H    _H2_     4     1.02952   113.15365    39.06602
    5     1 S   CT   _CA1     5     1.50177   125.47373   179.50032
    6     5 S   HC   _HA1     6     1.09576   105.15265    36.36217
    7     5 S   CO3  _C1_     7     1.53820   112.31967   -83.64601
    8     7 S   O2Z  _O11     8     1.26411   115.08673   -42.44791
    9     7 S   O2Z  _O12     9     1.26232   114.91277   136.56706
   10     5 S   CT   _CB1    10     1.53107   107.36605   154.15792
   11    10 S   HC   HB11    11     1.09812   109.24162   -49.36164
   12    10 S   HC   HB12    12     1.09827   110.41002    67.13354
   13    10 S   CT   _CG1    13     1.53059   112.83432  -170.57066
   14    13 S   HC   HG11    14     1.09402   110.24731   -62.15528
   15    13 S   HC   HG12    15     1.09626   110.22771    56.79806
   16    13 S   C    _CD1    16     1.51875   112.00540   176.48804
   17    16 S   O    _OE1    17     1.22785   122.84537   -20.07499
   18    16 S   N    _N2_    18     1.38610   112.11760   161.56030
   19    18 S   H    _HN2    19     1.01572   119.18146    -0.53376
   20    18 S   CT1  _CA2    20     1.46371   123.31636  -179.88636
   21    20 S   HC   _HA2    21     1.09741   109.24378   -13.10960
   22    20 S   C    _C2_    22     1.53436   108.37408  -128.63896
   23    22 S   O    _O2_    23     1.23015   122.30345  -146.94246
   24    20 S   CT   _CB2    32     1.53495   111.67135   108.91931
   25    24 S   HC   HB21    33     1.09471   109.62002    56.68484
   26    24 S   HC   HB22    34     1.09517   110.46339   175.40667
   27    22 S   N    _N3_    24     1.38545   113.36589    40.55556
   28    27 S   H    _HN3    25     1.01523   118.85265    -0.74019
   29    24 S   S    _SG2    35     1.82718   111.37668   -65.03438
   30    27 S   CT   _CA3    26     1.45437   123.46893   175.04635
   31    30 S   HC   HA31    27     1.09523   109.24257    24.33675
   32    30 S   HC   HA32    28     1.09495   107.12311   141.34306
   33    29 S   CT   _C16    36     1.84930    99.98235   170.83130
   34    33 S   HC   _H5_    37     1.09365   102.50011    50.96247
   35    30 S   CO3  _C3_    29     1.52924   113.10397   -99.14285
   36    35 S   O2Z  _O31    30     1.26403   115.40303   -44.49727
   37    35 S   O2Z  _O32    31     1.26354   114.98208   136.43361
   38    33 S   CM   _C7_    38     1.54148   114.09890   -67.20895
   39    33 S   CT   _C17    69     1.53678   109.76497   166.46966
   40    39 S   HC   _H13    70     1.09872   109.33969   173.02748
   41    39 S   HC   _H14    71     1.09741   110.82308    56.33241
   42    38 S   C5B  _C5_    39     1.44851   114.62898   -38.98104
   43    38 S   CMA  _C8_    48     1.37226   122.95128   140.64392
   44    43 S   OM   _O36    49     1.26466   128.64532  -178.74571
   45    39 S   CO3  _C18    72     1.53404   116.14191   -68.22306
   46    45 S   O2Z  _O38    73     1.26200   116.31230   -31.15661
   47    45 S   O2Z  _O37    74     1.26497   114.45452   149.93211
   48    42 S   C5A  _C4_    40     1.38086   125.14906   127.18235
   49    48 S   HA   _H6_    41     1.08097   129.03035     1.32412
   50    43 S   NE   _N6_    50     1.40003   120.62886     3.13613
   51    50 S   H    _H9_    51     1.01458   115.60603    10.42190
   52    48 S   SA   _S1_    42     1.70987   109.71486  -178.12445
   53    50 S   C4T  _C9_    52     1.43961   129.86764  -179.05747
   54    53 S   HC   _H3_    53     1.09606   112.85779    41.33445
   55    52 S   CRA  _C6_    43     1.72441    89.95062     1.24600
   56    53 S   C4   _C11    54     1.56779   115.29974   -91.80423
   57    56 S   O    _O33    55     1.20885   137.00434    68.59577
   58    53 S   C4T  _C10    64     1.55580   114.94339   171.65186
   59    58 S   HC   _H4_    65     1.09740   112.85338  -138.36925
   60    42 S   N5B  _N4_    44     1.38324   119.64742   -50.74319
   61    55 S   NE   _N5_    45     1.34646   120.19039   177.27782
   62    61 S   H    _H7_    46     1.01352   121.50979  -179.66428
   63    61 S   H    _H8_    47     1.01697   121.67766    -5.04504
   64    56 S   N4   _N7_    56     1.34936    89.68979  -108.00021
   65    64 S   CM   _C12    57     1.35541   138.27293   172.08999
   66    65 S   CM   _C13    58     1.34625   120.77802  -164.80903
   67    66 S   HC   _H10    59     1.08843   119.15629  -179.35381
   68    65 S   CO3  _C15    66     1.53611   121.69726    13.03380
   69    68 S   O2Z  _O35    67     1.26490   115.62585  -122.03707
   70    68 S   O2Z  _O34    68     1.26523   114.90519    58.62549
   71    66 S   CT   _C14    60     1.50748   125.68466     3.43638
   72    71 S   HC   _H11    61     1.09461   109.07897   138.53086
   73    71 S   HC   _H12    62     1.09469   109.63245  -103.65637
   74    71 S   S    _S2_    63     1.82590   113.58983    19.12161
  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   9   5   4   3
  14   7   2   1   1  15   7   4   3   9   9   3   2   1   1   5
   3   9   4   5   9   6   4   8   3   9   4   3   2   1   1   8
   9   8   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    43    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    48    60    43    44    50    39    40    41    45    46    47  
   38    42    43    39    40    41    45  
   36    37  
   37  
    0  
   42    48    49    52    55    60    43    44    50    51    53    39    40    41    45  
   40    41    45    46    47    42    43  
   41    45    46    47  
   45    46    47  
   48    49    52    55    60    61    43    44    50  
   44    50    51    53    54    56    58    48    60  
   50    51    53  
   46    47  
   47  
    0  
   49    52    55    60    61  
   52    55    60  
   51    53    54    56    57    64    74    58    59  
   53    54    56    58  
   55    60    61    62    63  
   54    56    57    64    65    71    74    58    59  
   56    57    64    74    58    59  
   60    61    62    63  
   57    64    65    66    74    58    59    68  
   64    65    58  
   59    68    64    65    66    71    72    73    74  
   64    65    71    74  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    71    74    68    69    70  
   66    67    71    72    73    74    68    69    70  
   67    71    72    73    74    68    69    70  
   71    72    73    74    68  
   69    70    71  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.998700   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   61   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   65   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
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   317.000  1.510
   33    39   268.000  1.529
   38    42   320.000  1.460
   38    43   465.000  1.376
   42    48   520.000  1.370
   42    60   410.000  1.394
   48    49   367.000  1.080
   48    52   265.000  1.745
   52    55   250.000  1.765
   55    60   488.000  1.335
   55    61   420.000  1.385
   61    62   434.000  1.010
   61    63   434.000  1.010
   43    44   745.000  1.250
   43    50   415.000  1.382
   50    51   434.000  1.010
   50    53   382.000  1.448
   53    54   340.000  1.090
   53    56   250.000  1.540
   53    58   268.000  1.529
   56    57   930.000  1.212
   56    64   440.000  1.369
   64    65   400.000  1.384
   64    58   305.000  1.456
   65    66   549.000  1.340
   65    68   230.000  1.545
   66    67   340.000  1.080
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   222.000  1.810
   74    58   200.000  1.824
   58    59   340.000  1.090
   68    69   656.000  1.250
   68    70   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    65.00000  118.87000
   33    38    43    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    60.00000  120.93500
   38    42    60    70.00000  118.40000
   38    43    44    65.00000  137.10300
   38    43    50    75.00000  114.40000
   42    48    49    35.00000  130.70000
   42    48    52    80.00000  111.29200
   42    60    55    70.00000  110.00000
   48    52    55   120.00000   89.04400
   52    48    49    40.00000  122.38200
   52    55    60    80.00000  114.57700
   52    55    61    70.00000  122.29500
   55    61    62    35.00000  113.50000
   55    61    63    35.00000  113.50000
   60    42    48    70.00000  111.00000
   61    55    60    75.00000  125.31200
   63    61    62    35.00000  109.00000
   43    38    42    60.00000  123.20500
   43    50    51    50.00000  121.48000
   43    50    53    50.00000  121.00000
   50    43    44   105.00000  113.92000
   50    53    54    35.00000  109.50000
   50    53    56    70.00000  113.51500
   50    53    58    80.00000  111.61500
   53    50    51    35.00000  112.50000
   53    56    57    60.00000  136.58000
   53    56    64    95.00000   92.72400
   53    58    64   105.00000   87.49700
   53    58    74    65.00000  119.05700
   53    58    59    37.50000  110.70000
   56    53    54    40.00000  113.37500
   56    64    65    50.00000  132.10000
   56    64    58   100.00000   93.00000
   64    56    57    75.00000  131.60000
   64    65    66    75.00000  120.83300
   64    65    68    80.00000  114.48000
   64    58    74    80.00000  108.62000
   64    58    59    50.00000  112.01000
   65    66    67    35.00000  120.00000
   65    66    71    70.00000  124.00000
   65    68    69    85.00000  113.83300
   65    68    70    85.00000  113.83300
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    75.00000  112.20000
   71    66    67    35.00000  117.00000
   71    74    58    85.00000   99.86700
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    58    59    45.00000  109.41400
   58    53    54    37.50000  110.70000
   58    53    56   100.00000   86.36000
   58    64    65    50.00000  132.70000
   68    65    66    55.00000  124.75400
   70    68    69    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    45    46    70.00000  117.00000
   39    45    47    70.00000  117.00000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   47    45    46    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  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    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    42    48  -0.02500  1.0 1.0
   33    38    42    48  -0.32150 -1.0 2.0
   33    38    42    48  -0.01500  1.0 3.0
   33    38    42    60  -0.01750  1.0 1.0
   33    38    42    60  -0.32000 -1.0 2.0
   33    38    42    60   0.00600  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    50   7.00000 -1.0 2.0
   33    39    45    46   0.41150 -1.0 2.0
   33    39    45    47   0.41150 -1.0 2.0
   34    33    38    42   0.77000  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    45  -0.98800  1.0 1.0
   38    33    39    45   0.48800 -1.0 2.0
   38    33    39    45   0.76800  1.0 3.0
   38    42    48    49   3.62500 -1.0 2.0
   38    42    48    52   3.62500 -1.0 2.0
   38    42    60    55   3.62500 -1.0 2.0
   38    43    50    51   1.00000 -1.0 2.0
   38    43    50    53  -0.54700  1.0 1.0
   38    43    50    53   1.23000 -1.0 2.0
   42    38    43    44   7.00000 -1.0 2.0
   42    38    43    50   7.00000 -1.0 2.0
   42    48   -52    55   3.62500 -1.0 2.0
   48    42   -60    55   2.40000 -1.0 2.0
   48    52   -55    60   3.62500 -1.0 2.0
   48    52    55    61   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55   -60    42   3.62500 -1.0 2.0
   52    55    61    62   0.47600 -1.0 2.0
   52    55    61    63   0.47600 -1.0 2.0
   60    42    48    49   3.62500 -1.0 2.0
   60    42   -48    52   3.62500 -1.0 2.0
   60    55    61    62   1.75000 -1.0 2.0
   60    55    61    63   1.75000 -1.0 2.0
   61    55    60    42   3.62500 -1.0 2.0
   43    38    42    48   0.15800  1.0 1.0
   43    38    42    48   1.85350 -1.0 2.0
   43    38    42    48  -0.48700  1.0 3.0
   43    38    42    60   0.11450  1.0 1.0
   43    38    42    60   1.85100 -1.0 2.0
   43    38    42    60  -0.49050  1.0 3.0
   43    50    53    54   0.00000  1.0 1.0
   43    50    53    56  -0.12500  1.0 1.0
   43    50    53    56  -0.12500 -1.0 2.0
   43    50    53    56   0.25000  1.0 3.0
   43    50    53    58   0.25450  1.0 1.0
   43    50    53    58  -0.61700 -1.0 2.0
   43    50    53    58  -0.23550  1.0 3.0
   44    43    50    51   1.00000 -1.0 2.0
   44    43    50    53   1.00000 -1.0 2.0
   50    53    56    57   0.30150 -1.0 2.0
   50    53    56    64   0.00000  1.0 1.0
   50    53   -58    64   2.20050  1.0 1.0
   50    53   -58    64   0.63450 -1.0 2.0
   50    53   -58    64  -0.91300  1.0 3.0
   50    53    58    74   0.00000  1.0 1.0
   50    53    58    59   0.22950  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56  -0.12500  1.0 1.0
   51    50    53    56  -0.12500 -1.0 2.0
   51    50    53    56   0.25000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   53    56    64    65   3.00000 -1.0 2.0
   53    56   -64    58   3.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    64   0.00000  1.0 1.0
   54    53   -58    64   0.15000  1.0 3.0
   54    53    58    74   0.00000  1.0 1.0
   54    53    58    59   0.15000  1.0 3.0
   56    53   -58    64   3.00000 -1.0 2.0
   56    53    58    74   0.00000  1.0 1.0
   56    53    58    59   0.15000  1.0 3.0
   56    64    65    66   0.00000  1.0 1.0
   56    64    65    68   0.00000  1.0 1.0
   56    64   -58    53   0.00000  1.0 1.0
   56    64   -58    74   0.00000  1.0 1.0
   56    64   -58    59   0.00000  1.0 1.0
   57    56    64    65   3.00000 -1.0 2.0
   57    56    64    58   3.00000 -1.0 2.0
   64    65    66    67   7.00000 -1.0 2.0
   64    65    66    71   7.00000 -1.0 2.0
   64    65    68    69   1.91650 -1.0 2.0
   64    65    68    70   1.91650 -1.0 2.0
   65    64   -58    53   0.00000  1.0 1.0
   65    64    58    74   0.00000  1.0 1.0
   65    64    58    59   0.00000  1.0 1.0
   65    66    71    72   0.00000  1.0 1.0
   65    66    71    73   0.00000  1.0 1.0
   65    66   -71    74   0.42700  1.0 1.0
   65    66   -71    74  -0.70350 -1.0 2.0
   65    66   -71    74  -0.43150  1.0 3.0
   66    65    68    69  -0.04000 -1.0 2.0
   66    65    68    69  -0.29050  1.0 3.0
   66    65    68    70  -0.04000 -1.0 2.0
   66    65    68    70  -0.29050  1.0 3.0
   66    71    74    58  -0.70200  1.0 1.0
   66    71    74    58  -0.14350 -1.0 2.0
   66    71    74    58   0.55200  1.0 3.0
   67    66    71    72   0.33100  1.0 3.0
   67    66    71    73   0.33100  1.0 3.0
   67    66    71    74   0.00000  1.0 1.0
   71    74    58    53   0.25150  1.0 1.0
   71    74    58    53  -1.17200 -1.0 2.0
   71    74    58    53   0.53050  1.0 3.0
   71    74   -58    64   0.01700  1.0 1.0
   71    74   -58    64  -0.23550 -1.0 2.0
   71    74   -58    64   0.21350  1.0 3.0
   71    74    58    59   0.00000  1.0 1.0
   72    71    74    58   0.32350  1.0 3.0
   73    71    74    58   0.32350  1.0 3.0
   58    53   -56    57  -0.11250  1.0 1.0
   58    53   -56    57   0.11400 -1.0 2.0
   58    53   -56    57  -0.28950  1.0 3.0
   58    53   -56    64   3.00000 -1.0 2.0
   58    64   -65    66   0.00000  1.0 1.0
   58    64    65    68   0.00000  1.0 1.0
   68    65    66    67   7.00000 -1.0 2.0
   68    65    66    71   7.00000 -1.0 2.0
   39    33    38    42  -0.01700  1.0 1.0
   39    33    38    42   0.06550 -1.0 2.0
   39    33    38    42  -0.91500  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.00000  1.0 1.0
   41    39    45    46   0.00000  1.0 1.0
   41    39    45    47   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    43  15.00000 -1.0 2.0
   48    60    42    38   4.00000 -1.0 2.0
   52    49    48    42   1.10000 -1.0 2.0
   60    61    55    52   4.00000 -1.0 2.0
   63    55    61    62   1.00000 -1.0 2.0
   50    44    43    38  15.00000 -1.0 2.0
   51    43    50    53   1.00000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   58    56    64    65   1.00000 -1.0 2.0
   64    68    65    66   1.10000 -1.0 2.0
   71    67    66    65   1.10000 -1.0 2.0
   69    65    68    70  10.50000 -1.0 2.0
   46    39    45    47  10.50000 -1.0 2.0
END
