* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    143    210     410
    1     0 S   NP   _N1_     1    28.64806    92.58431   -20.92889
    2     1 S   H    _HN1     2     1.03409    98.74103    14.54074
    3     1 S   H    _H1_     3     1.02801    24.31731   125.91480
    4     1 S   H    _H2_     4     1.02848    88.71233   -92.46700
    5     1 S   CT   _CA1     5     1.50299   134.27427   146.73269
    6     5 S   HC   _HA1     6     1.09539   105.36288    52.96869
    7     5 S   CO3  _C1_     7     1.53796   112.60598   -67.78041
    8     7 S   O2Z  _O11     8     1.26418   115.20759   -44.30560
    9     7 S   O2Z  _O12     9     1.26230   114.90173   135.36949
   10     5 S   CT   _CB1    10     1.52897   107.30299   171.18608
   11    10 S   HC   HB11    11     1.09813   109.54920   -47.72586
   12    10 S   HC   HB12    12     1.09347   109.42850    68.81687
   13    10 S   CT   _CG1    13     1.52987   114.26163  -170.11947
   14    13 S   HC   HG11    14     1.09565   110.57800   -60.81669
   15    13 S   HC   HG12    15     1.09592   110.18958    58.84978
   16    13 S   C    _CD1    16     1.52137   111.33430   179.00909
   17    16 S   O    _OE1    17     1.22817   123.00990    -5.25587
   18    16 S   N    _N2_    18     1.38599   112.20243   175.29027
   19    18 S   H    _HN2    19     1.01589   119.03070     1.83248
   20    18 S   CT1  _CA2    20     1.46374   123.28373   178.13975
   21    20 S   HC   _HA2    21     1.09605   109.11556     1.22860
   22    20 S   C    _C2_    22     1.53548   108.78324  -113.89478
   23    22 S   O    _O2_    23     1.23044   122.06145  -146.16995
   24    20 S   CT   _CB2    32     1.53474   111.84950   123.53600
   25    24 S   HC   HB21    33     1.09641   109.63433    57.81214
   26    24 S   HC   HB22    34     1.09551   111.34885   175.63493
   27    22 S   N    _N3_    24     1.38447   113.64216    41.37520
   28    27 S   H    _HN3    25     1.01463   119.09699    -0.64498
   29    24 S   S    _SG2    35     1.82678   113.60913   -61.74750
   30    27 S   CT   _CA3    26     1.45466   123.47805   174.58640
   31    30 S   HC   HA31    27     1.09516   109.31545    23.27008
   32    30 S   HC   HA32    28     1.09494   107.10668   140.34486
   33    29 S   CT   _C19    36     1.82879    99.92146   -78.24266
   34    33 S   HC   _H22    37     1.09386   109.70739    42.40104
   35    33 S   HC   _H23    38     1.09493   107.62609   -74.71126
   36    30 S   CO3  _C3_    29     1.52945   113.05756  -100.21845
   37    36 S   O2Z  _O31    30     1.26408   115.41717   -42.78372
   38    36 S   O2Z  _O32    31     1.26352   114.96430   138.10859
   39    33 S   CT   _C18    39     1.53554   112.14523   165.17053
   40    39 S   HC   _H20    40     1.09806   108.45856   171.76615
   41    39 S   HC   _H21    41     1.09622   110.37913    56.68163
   42    39 S   C5A  _C6_    42     1.50258   112.53254   -67.53246
   43    42 S   C5B  _C5_    43     1.38171   130.13492    98.85748
   44    43 S   N5P  _N4_    44     1.39899   112.24160  -173.81005
   45    43 S   CT   _C4_    77     1.48495   127.98236     3.13075
   46    45 S   HC   _H4_    78     1.09287   111.31400   121.48687
   47    45 S   HC   _H5_    79     1.09404   111.05961  -116.64377
   48    45 S   HC   _H6_    80     1.09385   111.68906     2.64071
   49    44 S   CRP  _C7_    45     1.33218   114.27073     1.79787
   50    44 S   CT   _C8_    60     1.47646   122.43079   176.47152
   51    50 S   HC   _H7_    61     1.09516   106.71778   -46.92304
   52    50 S   HC   _H8_    62     1.09087   111.16793  -162.40445
   53    42 S   SA   _S1_    46     1.71264   120.00424   -79.96038
   54    49 S   CT   _C14    47     1.50403   127.12884   169.17995
   55    54 S   HC   _H3_    48     1.08953   109.02702   -42.27475
   56    50 S   CA   _C9_    63     1.50678   113.24973    75.79484
   57    54 S   CT   _C15    49     1.53011   113.61500    81.02757
   58    57 S   HC   _H15    50     1.09409   110.75118   -52.21523
   59    57 S   HC   _H16    51     1.09758   109.62533    65.44355
   60    54 S   OH   _O35    58     1.43052   109.38675  -157.04634
   61    60 S   HO   _H19    59     0.97443   107.47739    61.14043
   62    56 S   CA   _C10    64     1.38814   122.76123    28.26080
   63    62 S   HA   _H9_    65     1.08541   121.82380    -0.86479
   64    57 S   CT   _C16    52     1.53185   112.43364  -174.34840
   65    64 S   HC   _H17    53     1.09705   108.61615  -178.02216
   66    64 S   HC   _H18    54     1.09691   109.56059   -61.87055
   67    62 S   NB   _N5_    66     1.34703   124.60470   179.27828
   68    64 S   CO3  _C17    55     1.53411   116.01125    61.71294
   69    68 S   O2Z  _O34    56     1.26365   114.62917  -156.36638
   70    68 S   O2Z  _O33    57     1.26302   116.44984    23.14391
   71    67 S   CQ   _C11    67     1.34348   115.56643    -0.09691
   72    71 S   NB   _N6_    68     1.34823   125.10484    -1.39956
   73    71 S   CT   _C13    73     1.49513   117.49191  -179.11973
   74    73 S   HC   _H12    74     1.09384   109.69082    89.33553
   75    73 S   HC   _H13    75     1.09432   110.63168  -150.61872
   76    73 S   HC   _H14    76     1.09433   110.65924   -30.72220
   77    56 S   CA   _C12    69     1.39578   121.99038  -154.97616
   78    77 S   NE   _N7_    70     1.39042   121.14996     3.24691
   79    78 S   H    _H10    71     1.01567   120.03531   -33.11719
   80    78 S   H    _H11    72     1.01270   116.21764   178.01062
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  16   6   2   1   1
  13  11   4   3   4  10   6   9  10   6   5   2   1   7   3   5
   4   3   7   2   1   1   7   8   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    56    45    46    47    48  
   49    53    54    55    57    60    50    51    52    56    62    77    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    55    57    58    59    64    60    61    50    51    52    56  
   51    52    56    62    63    67    72    77    78    53    54  
   52    56    62    77  
   56    62    77  
   54    55    57    60  
   55    57    58    59    64    65    66    68    60    61  
   57    58    59    64    60    61  
   62    63    67    71    72    77    78    79    80  
   58    59    64    65    66    68    69    70    60    61  
   59    64    65    66    68    60  
   64    65    66    68    60  
   61    64  
    0  
   63    67    71    72    77    78    73  
   67    71    77  
   65    66    68    69    70  
   66    68    69    70  
   68    69    70  
   71    72    77    73    74    75    76  
   69    70  
   70  
    0  
   72    77    78    73    74    75    76  
   77    78    79    80    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.068800   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.117500   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   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.7500   0.1050   0.700000   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   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    53   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    50   300.000  1.456
   49    53   260.000  1.741
   49    54   290.000  1.488
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   656.000  1.250
   68    70   656.000  1.250
   60    61   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    62   469.000  1.400
   56    77   469.000  1.400
   62    63   367.000  1.080
   62    67   483.000  1.339
   67    71   502.000  1.324
   71    72   502.000  1.324
   71    73   317.000  1.510
   72    77   483.000  1.339
   77    78   481.000  1.340
   78    79   434.000  1.010
   78    80   434.000  1.010
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    53    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    53    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    50    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    53    85.00000  110.81000
   44    49    54    60.00000  125.91000
   44    50    51    50.00000  107.70000
   44    50    52    50.00000  107.70000
   44    50    56    75.00000  110.34000
   49    54    55    45.00000  106.72000
   49    54    57    70.00000  112.17500
   49    54    60   105.00000   99.42000
   53    42    43    80.00000  111.29200
   54    49    53    60.00000  130.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    64    58.35000  112.70000
   54    60    61    55.00000  108.50000
   57    54    55    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    68    70.00000  109.69300
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    68    69    70.00000  117.00000
   64    68    70    70.00000  117.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   70    68    69    80.00000  126.00000
   60    54    55    35.00000  109.50000
   60    54    57    50.00000  109.50000
   50    44    49    65.00000  121.70000
   50    56    62    70.00000  120.00000
   50    56    77    70.00000  120.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    67    70.00000  124.00000
   56    77    72    70.00000  124.00000
   56    77    78    70.00000  120.10000
   62    67    71    70.00000  118.60000
   67    62    63    35.00000  116.00000
   67    71    72    70.00000  129.10000
   67    71    73    75.00000  115.74700
   71    72    77    70.00000  118.60000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   72    77    78    80.00000  117.25000
   77    56    62    63.00000  120.00000
   77    78    79    35.00000  113.50000
   77    78    80    35.00000  113.50000
   80    78    79    35.00000  109.00000
   73    71    72    75.00000  115.74700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    53  -1.00500  1.0 1.0
   33    39    42    53  -0.91300 -1.0 2.0
   33    39    42    53   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    53    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   3.62500 -1.0 2.0
   43    44   -49    53   3.62500 -1.0 2.0
   43    44    49    54   3.62500 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    56   0.68100  1.0 1.0
   43    44    50    56   0.03350 -1.0 2.0
   43    44    50    56   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -53    42   3.62500 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57   0.39850  1.0 1.0
   44    49    54    57   0.06450 -1.0 2.0
   44    49    54    57   0.32400  1.0 3.0
   44    49    54    60   0.04300 -1.0 2.0
   44    50    56    62   0.04300 -1.0 2.0
   44    50    56    77   0.04300 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    56   0.68100  1.0 1.0
   49    44    50    56   0.03350 -1.0 2.0
   49    44    50    56   0.36200  1.0 3.0
   49    54    57    58   0.43200  1.0 3.0
   49    54    57    59   0.43200  1.0 3.0
   49    54    57    64  -0.03700  1.0 1.0
   49    54    57    64   0.37200 -1.0 2.0
   49    54    57    64  -0.47300  1.0 3.0
   49    54    60    61   0.31900  1.0 1.0
   49    54    60    61  -0.11800 -1.0 2.0
   49    54    60    61   0.38750  1.0 3.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    45   3.62500 -1.0 2.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    57  -1.00500  1.0 1.0
   53    49    54    57  -0.91300 -1.0 2.0
   53    49    54    57   0.11400  1.0 3.0
   53    49    54    60   0.04300 -1.0 2.0
   54    49    53    42   3.62500 -1.0 2.0
   54    57    64    65   0.15000  1.0 3.0
   54    57    64    66   0.15000  1.0 3.0
   54    57    64    68  -1.63150  1.0 1.0
   54    57    64    68  -0.43550 -1.0 2.0
   54    57    64    68   0.24500  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    64   0.15000  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   57    54    60    61  -0.11600  1.0 1.0
   57    54    60    61  -0.09450 -1.0 2.0
   57    54    60    61   0.21250  1.0 3.0
   57    64    68    69   0.41150 -1.0 2.0
   57    64    68    70   0.41150 -1.0 2.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    68  -0.11250  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    68  -0.11250  1.0 3.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    70   0.00000  1.0 1.0
   60    54    57    58   0.23400  1.0 3.0
   60    54    57    59   0.23400  1.0 3.0
   60    54    57    64   0.86500  1.0 1.0
   60    54    57    64  -0.17500 -1.0 2.0
   60    54    57    64   0.20800  1.0 3.0
   50    44    49    53   3.62500 -1.0 2.0
   50    44    49    54   3.62500 -1.0 2.0
   50    56    62    63   3.62500 -1.0 2.0
   50    56    62    67   3.62500 -1.0 2.0
   50    56    77    72   3.62500 -1.0 2.0
   50    56    77    78   3.62500 -1.0 2.0
   51    50    56    62   0.00000  1.0 1.0
   51    50    56    77   0.00000  1.0 1.0
   52    50    56    62   0.00000  1.0 1.0
   52    50    56    77   0.00000  1.0 1.0
   56    62    67    71   3.62500 -1.0 2.0
   56    77    78    79   1.00000 -1.0 2.0
   56    77    78    80   1.00000 -1.0 2.0
   62    56    77    72   3.62500 -1.0 2.0
   62    56    77    78   3.62500 -1.0 2.0
   62    67   -71    72   3.62500 -1.0 2.0
   62    67    71    73   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   67    71    72    77   3.62500 -1.0 2.0
   67    71    73    74   0.00000  1.0 1.0
   67    71    73    75   0.00000  1.0 1.0
   67    71    73    76   0.00000  1.0 1.0
   71    72   -77    56   3.62500 -1.0 2.0
   71    72    77    78   3.62500 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   72    77    78    79   1.75000 -1.0 2.0
   72    77    78    80   1.75000 -1.0 2.0
   77    56    62    63   3.62500 -1.0 2.0
   77    56   -62    67   3.62500 -1.0 2.0
   73    71    72    77   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   54    53    49    44   4.00000 -1.0 2.0
   69    64    68    70  10.50000 -1.0 2.0
   62    77    56    50   4.00000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   73    72    71    67   4.00000 -1.0 2.0
   72    78    77    56   4.00000 -1.0 2.0
   80    77    78    79   1.00000 -1.0 2.0
END
