* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    116    174     342
    1     0 S   NP   _N1_     1    30.39948    90.47178   -19.88671
    2     1 S   H    _HN1     2     1.03400   132.65286   -30.11321
    3     1 S   H    _H1_     3     1.03172   106.29096    99.53769
    4     1 S   H    _H2_     4     1.02618    27.54446     2.39269
    5     1 S   CT   _CA1     5     1.49966    88.23321  -149.27269
    6     5 S   HC   _HA1     6     1.09573   105.25246    71.14788
    7     5 S   CO3  _C1_     7     1.53635   113.13034   -49.34402
    8     7 S   O2Z  _O11     8     1.26337   115.36148   -43.91357
    9     7 S   O2Z  _O12     9     1.26339   114.87673   135.44059
   10     5 S   CT   _CB1    10     1.52718   106.82930  -171.40691
   11    10 S   HC   HB11    11     1.09709   108.72046   -54.17336
   12    10 S   HC   HB12    12     1.09806   110.08845    61.77282
   13    10 S   CT   _CG1    13     1.52967   114.11081  -175.12983
   14    13 S   HC   HG11    14     1.09531   111.25012   -78.88154
   15    13 S   HC   HG12    15     1.09585   110.85303    41.23273
   16    13 S   C    _CD1    16     1.51470   109.35289   160.13168
   17    16 S   O    _OE1    17     1.22848   121.77156  -111.72303
   18    16 S   N    _N2_    18     1.38388   112.94161    66.57407
   19    18 S   H    _HN2    19     1.01534   119.42348     6.66897
   20    18 S   CT1  _CA2    20     1.45512   122.41529  -168.78411
   21    20 S   HC   _HA2    21     1.09505   107.95959    34.90565
   22    20 S   C    _C2_    22     1.53009   108.05473   -82.31139
   23    22 S   O    _O2_    23     1.23006   123.03769   -24.62443
   24    20 S   CT   _CB2    32     1.53342   112.55357   157.33170
   25    24 S   HC   HB21    33     1.09718   109.22855    71.45213
   26    24 S   HC   HB22    34     1.09520   110.77847  -172.71810
   27    22 S   N    _N3_    24     1.38573   112.65451   158.32872
   28    27 S   H    _HN3    25     1.01723   120.17902    -4.10561
   29    24 S   S    _SG2    35     1.83043   116.37402   -47.61764
   30    27 S   CT   _CA3    26     1.45386   122.27913   178.73298
   31    30 S   HC   HA31    27     1.09570   108.37650   -44.86306
   32    30 S   HC   HA32    28     1.09567   107.08283    71.42892
   33    29 S   CT   _C11    36     1.84516   102.53146   -54.93493
   34    33 S   HC   _H4_    37     1.09533   107.69346    61.18343
   35    30 S   CO3  _C3_    29     1.52831   114.65789  -166.97131
   36    35 S   O2Z  _O31    30     1.26267   116.18941     8.18964
   37    35 S   O2Z  _O32    31     1.26481   114.34991  -172.13443
   38    33 S   CM   _C9_    38     1.51439   107.33481   177.69998
   39    38 S   CT   _C8_    39     1.50327   119.45040    81.16515
   40    39 S   HC   _H9_    40     1.09688   110.21180   166.45794
   41    39 S   HC   _H10    41     1.09772   109.04634   -78.25997
   42    38 S   CMA  _C10    64     1.51686   121.05523   -93.96621
   43    42 S   OM   _O36    65     1.26244   120.82803   -70.46318
   44    42 S   OM   _O37    66     1.26282   120.52357   109.99113
   45    39 S   CT   _C7_    42     1.53692   113.28493    44.18200
   46    45 S   HC   _H3_    43     1.09817   110.79629    72.84507
   47    45 S   CT   _C13    44     1.53842   110.29622   -48.04061
   48    47 S   HC   _H6_    45     1.09616   109.43180   -66.99036
   49    45 S   OS   _O35    56     1.44234   108.97832  -165.30722
   50    33 S   CT   _C12    46     1.53941   113.53024   -60.02056
   51    50 S   HC   _H5_    47     1.09459   111.41929    50.65086
   52    47 S   OH   _O38    54     1.42946   109.83158   177.56949
   53    52 S   HO   _H11    55     0.97467   107.72525   -71.56570
   54    49 S   CM   _C5_    57     1.38269   113.30499   -84.74466
   55    50 S   OS   _O39    48     1.43610   107.09626   167.84124
   56    54 S   CM   _C4_    58     1.33763   120.61173   117.13814
   57    56 S   HC   _H7_    59     1.08482   120.53801    -3.14964
   58    56 S   HC   _H8_    60     1.08446   121.93152   177.00180
   59    54 S   CO3  _C6_    61     1.54443   118.72865   -68.66363
   60    59 S   O2Z  _O34    62     1.26541   115.84234   151.59286
   61    59 S   O2Z  _O33    63     1.26529   115.18662   -28.78911
   62    55 S   P2   _P1_    49     1.62894   119.30935  -123.68898
   63    62 S   O2Z  _O42    50     1.51102   109.60830    58.51100
   64    62 S   O2Z  _O40    51     1.51101   108.98782   -76.51708
   65    62 S   OS   _O41    52     1.62999    98.22728   170.80219
   66    65 S   HO   _H12    53     0.97886   115.92924   -75.86565
  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
  16   7   2   1   1  13  13   6   5   4   1   1  12   6   9   6
   9   8   3   2   1   6   5   5   2   1   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    51    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    50    51    55    62    52    42    43    44  
   38    39    47    50    51    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    50    51    55    49    42    43    44  
   40    41    45    46    47    48    50    52    49    54    42    43    44  
   41    45    46    47    49    42  
   45    46    47    49    42  
   43    44    45    50  
   44  
    0  
   46    47    48    50    51    55    52    53    49    54    56    59  
   47    48    50    52    49    54  
   48    50    51    55    62    52    53    49    54  
   50    51    55    52    53    49  
   54    56    57    58    59    60    61    50    52  
   51    55    62    63    64    65    52    53  
   55    62    52  
   53    55  
    0  
   56    57    58    59    60    61  
   62    63    64    65    66  
   57    58    59    60    61  
   58    59  
   59  
   60    61  
   61  
    0  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    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  -0.120000   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   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   55   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   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   317.000  1.510
   33    50   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    52   320.000  1.410
   50    51   340.000  1.090
   50    55   320.000  1.410
   55    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    65   230.000  1.697
   65    66   553.000  0.945
   52    53   553.000  0.945
   49    54   440.000  1.360
   54    56   549.000  1.340
   54    59   230.000  1.545
   56    57   340.000  1.080
   56    58   340.000  1.080
   59    60   656.000  1.250
   59    61   656.000  1.250
   42    43   745.000  1.250
   42    44   745.000  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    50    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    45    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   39    45    46    37.50000  110.70000
   39    45    47    58.35000  112.70000
   39    45    49    50.00000  109.50000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    47    52    50.00000  109.50000
   45    49    54    90.00000  111.18400
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    55    50.00000  109.50000
   47    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    55    62   100.00000  120.50000
   55    50    51    35.00000  109.50000
   55    62    63   100.00000  108.23000
   55    62    64   100.00000  108.23000
   55    62    65    45.00000  102.60000
   62    65    66    45.00000  108.50000
   64    62    63   140.00000  119.90000
   65    62    63   100.00000  108.23000
   65    62    64   100.00000  108.23000
   52    47    48    35.00000  109.50000
   52    47    50    50.00000  109.50000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   49    54    56    80.00000  120.01400
   49    54    59    80.00000  119.00000
   54    56    57    35.00000  120.00000
   54    56    58    35.00000  120.00000
   54    59    60    85.00000  113.83300
   54    59    61    85.00000  113.83300
   58    56    57    35.00000  117.00000
   59    54    56    55.00000  124.75400
   61    59    60    80.00000  126.00000
   42    38    39    70.00000  124.00000
   44    42    43    65.00000  121.00000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    55   0.56750  1.0 1.0
   29    33    50    55  -0.07550 -1.0 2.0
   29    33    50    55   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    50    55    62  -2.65550  1.0 1.0
   33    50    55    62  -0.22350 -1.0 2.0
   33    50    55    62   0.24150  1.0 3.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    55   0.23400  1.0 3.0
   38    33    50    47   0.34400  1.0 1.0
   38    33    50    47   0.09450 -1.0 2.0
   38    33    50    47   0.11100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    55   0.61850  1.0 1.0
   38    33    50    55  -0.22750 -1.0 2.0
   38    33    50    55   0.15300  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39   -45    47   0.34400  1.0 1.0
   38    39   -45    47   0.09450 -1.0 2.0
   38    39   -45    47   0.11100  1.0 3.0
   38    39    45    49   0.61850  1.0 1.0
   38    39    45    49  -0.22750 -1.0 2.0
   38    39    45    49   0.15300  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    50   0.56750  1.0 1.0
   39    45    47    50  -0.07550 -1.0 2.0
   39    45    47    50   0.20000  1.0 3.0
   39    45    47    52   0.86500  1.0 1.0
   39    45    47    52  -0.17500 -1.0 2.0
   39    45    47    52   0.20800  1.0 3.0
   39    45    49    54  -0.46850  1.0 1.0
   39    45    49    54   0.09300 -1.0 2.0
   39    45    49    54  -0.12850  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    49   0.23400  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    49   0.23400  1.0 3.0
   45    47   -50    33   0.56750  1.0 1.0
   45    47   -50    33  -0.07550 -1.0 2.0
   45    47   -50    33   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    55   0.62750  1.0 1.0
   45    47    50    55  -0.30950 -1.0 2.0
   45    47    50    55   0.27300  1.0 3.0
   45    47    52    53  -0.11600  1.0 1.0
   45    47    52    53  -0.09450 -1.0 2.0
   45    47    52    53   0.21250  1.0 3.0
   45    49    54    56  -2.26850  1.0 1.0
   45    49    54    56   3.39050 -1.0 2.0
   45    49    54    59   0.15100 -1.0 2.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    52   0.23400  1.0 3.0
   46    45    49    54   0.08050  1.0 3.0
   47    45    49    54  -0.46850  1.0 1.0
   47    45    49    54   0.09300 -1.0 2.0
   47    45    49    54  -0.12850  1.0 3.0
   47    50    55    62  -2.65550  1.0 1.0
   47    50    55    62  -0.22350 -1.0 2.0
   47    50    55    62   0.24150  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    55   0.23400  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   50    33   -38    39   0.46850  1.0 1.0
   50    33   -38    39   0.08550 -1.0 2.0
   50    33   -38    39   0.09800  1.0 3.0
   50    33    38    42   0.09850  1.0 1.0
   50    33    38    42   0.15250 -1.0 2.0
   50    33    38    42  -0.50650  1.0 3.0
   50    47    52    53  -0.11600  1.0 1.0
   50    47    52    53  -0.09450 -1.0 2.0
   50    47    52    53   0.21250  1.0 3.0
   50    55    62    63   0.00000  1.0 1.0
   50    55    62    64   0.00000  1.0 1.0
   50    55    62    65   0.05050  1.0 1.0
   50    55    62    65  -1.30700 -1.0 2.0
   50    55    62    65   0.91550  1.0 3.0
   51    50    55    62   0.03000  1.0 3.0
   55    62    65    66   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   52    47    50    33   0.86500  1.0 1.0
   52    47    50    33  -0.17500 -1.0 2.0
   52    47    50    33   0.20800  1.0 3.0
   52    47    50    51   0.23400  1.0 3.0
   52    47    50    55   3.69350  1.0 1.0
   52    47    50    55  -1.82950 -1.0 2.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    50   0.62750  1.0 1.0
   49    45    47    50  -0.30950 -1.0 2.0
   49    45    47    50   0.27300  1.0 3.0
   49    45    47    52   3.69350  1.0 1.0
   49    45    47    52  -1.82950 -1.0 2.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    58   7.00000 -1.0 2.0
   49    54    59    60  -0.11900  1.0 1.0
   49    54    59    60   0.76850 -1.0 2.0
   49    54    59    60   0.14100  1.0 3.0
   49    54    59    61  -0.11900  1.0 1.0
   49    54    59    61   0.76850 -1.0 2.0
   49    54    59    61   0.14100  1.0 3.0
   56    54    59    60  -0.04000 -1.0 2.0
   56    54    59    60  -0.29050  1.0 3.0
   56    54    59    61  -0.04000 -1.0 2.0
   56    54    59    61  -0.29050  1.0 3.0
   59    54    56    57   7.00000 -1.0 2.0
   59    54    56    58   7.00000 -1.0 2.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    45   0.09850  1.0 1.0
   42    38    39    45   0.15250 -1.0 2.0
   42    38    39    45  -0.50650  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
   33    39    38    42   1.10000 -1.0 2.0
   49    59    54    56  15.00000 -1.0 2.0
   57    58    56    54  15.00000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
