* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    125    194     370
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02084   105.32672   -29.90354
    3     1 S   H    _H1_     3     1.02091    65.59874    74.06700
    4     1 S   H    _H2_     4     1.02121    47.01949  -131.33876
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69466
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C9_    36     1.87170    96.59976   161.85509
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C8_    37     1.51073   105.57598   160.01999
   38    37 S   CM   _C7_    38     1.34120   122.68396   105.02372
   39    38 S   HC   _H8_    39     1.08204   124.40234   176.32374
   40    37 S   CO4  _C13    53     1.49335   120.15410   -76.17677
   41    40 S   O    _O35    54     1.23188   120.77256   154.01965
   42    38 S   OS   _O33    40     1.36681   126.18658    -2.70204
   43    40 S   CT   _C12    55     1.51405   117.70151   -28.91003
   44    43 S   HC   _H10    56     1.09583   107.51494   -93.49279
   45    42 S   CT   _C6_    41     1.43960   115.66889   -11.94057
   46    45 S   HC   _H4_    42     1.09804   107.50324   -79.63151
   47    43 S   CO4  _C11    57     1.51526   114.82592    26.09762
   48    47 S   O    _O34    58     1.23213   122.25159   145.26761
   49    43 S   CO3  _C14    65     1.51800   109.25697   149.60518
   50    49 S   O2Z  _O37    66     1.26187   115.30416   -63.38452
   51    49 S   O2Z  _O36    67     1.26304   114.79843   116.61724
   52    33 S   CT   _C5_    43     1.57338   110.61557   -82.54755
   53    52 S   HC   _H3_    44     1.09862   107.08288   172.17401
   54    45 S   CT   _C16    49     1.52752   105.91214   165.55793
   55    54 S   HC   _H14    50     1.08823   109.81408   -65.21859
   56    54 S   HC   _H15    51     1.08890   109.75944   174.73493
   57    54 S   HC   _H16    52     1.08864   109.79127    54.80179
   58    33 S   CT   _C10    59     1.55875   108.14419    40.81567
   59    58 S   HC   _H9_    60     1.09848   109.50692   -51.88122
   60    52 S   CT   _C4_    45     1.53485   114.43424    54.61058
   61    60 S   HC   _H5_    46     1.08589   109.48192   -62.04296
   62    60 S   HC   _H6_    47     1.08619   109.39039   177.99680
   63    60 S   HC   _H7_    48     1.08565   109.46656    58.02021
   64    58 S   CT   _C15    61     1.53303   115.35672  -172.57675
   65    64 S   HC   _H11    62     1.08688   109.55846   -57.98593
   66    64 S   HC   _H12    63     1.08728   109.48133  -177.93095
   67    64 S   HC   _H13    64     1.08639   109.52467    62.08306
  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  12   5   4   3
  24   2   1   1  16  10   3  11   4   9   9   6  12   7  11   4
   3   1   1  12   6   4   2   1   1   6   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    52    53    60    40    47    58    59    64  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    52    53    60    61    62    63    54    40    41    43    47    48    58    59    64    65    66    67  
   35    36  
   36  
    0  
   38    39    42    45    52    53    60    40    41    43    44    47    58    59    64    49  
   39    42    45    46    52    54    40    41    43    58  
   42    45    40  
   41    43    44    47    48    58    49    50    51    42    52  
   43    44    47    49  
   45    46    52    53    60    54    55    56    57  
   44    47    48    58    59    64    49    50    51  
   47    48    58    49    50    51  
   46    52    53    60    61    62    63    54    55    56    57    58  
   52    53    60    54    55    56    57  
   48    58    59    64    65    66    67    49    50    51    52  
   58    59    64    49  
   50    51    58  
   51  
    0  
   53    60    61    62    63    54    55    56    57    58    59    64  
   60    61    62    63    54    58  
   55    56    57    60  
   56    57  
   57  
    0  
   59    64    65    66    67    60  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   268.000  1.529
   33    58   268.000  1.529
   37    38   549.000  1.340
   37    40   320.000  1.462
   38    39   340.000  1.080
   38    42   440.000  1.360
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    52   268.000  1.529
   45    54   268.000  1.529
   52    53   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.522
   43    49   317.000  1.522
   47    48   570.000  1.229
   47    58   317.000  1.522
   58    59   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   49    50   656.000  1.250
   49    51   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  116.34900
   33    52    45    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    60    58.35000  112.70000
   33    58    47    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    64    58.35000  112.70000
   37    38    39    35.00000  120.00000
   37    38    42    80.00000  120.01400
   37    40    41    80.00000  123.72100
   37    40    43    65.00000  118.62400
   38    42    45    90.00000  111.18400
   42    38    39    55.00000  109.52600
   42    45    46    35.00000  109.50000
   42    45    52    50.00000  109.50000
   42    45    54    50.00000  109.50000
   45    52    53    37.50000  110.70000
   45    52    60    58.35000  112.70000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   45    54    57    37.50000  110.70000
   52    33    37    70.00000  112.02700
   52    45    46    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   60    52    53    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    37    38    65.00000  118.96000
   40    43    44    35.00000  109.50000
   40    43    47    75.00000  107.99600
   40    43    49    70.00000  107.85200
   43    40    41    80.00000  120.40000
   43    47    48    80.00000  120.40000
   43    47    58    70.00000  116.00000
   43    49    50    70.00000  117.00000
   43    49    51    70.00000  117.00000
   47    43    44    35.00000  109.50000
   47    58    59    35.00000  109.50000
   47    58    64    63.00000  111.10000
   58    33    37    70.00000  112.02700
   58    33    52    58.35000  112.70000
   58    47    48    80.00000  120.40000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   64    58    59    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    47    70.00000  107.85200
   51    49    50    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    52    45   0.44750  1.0 1.0
   29    33    52    45  -0.17800 -1.0 2.0
   29    33    52    45   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    60   0.44750  1.0 1.0
   29    33    52    60  -0.17800 -1.0 2.0
   29    33    52    60   0.20200  1.0 3.0
   29    33    58    47   0.56750  1.0 1.0
   29    33    58    47  -0.07550 -1.0 2.0
   29    33    58    47   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    64   0.44750  1.0 1.0
   29    33    58    64  -0.17800 -1.0 2.0
   29    33    58    64   0.20200  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41  -0.64400  1.0 1.0
   33    37    40    41   0.26850 -1.0 2.0
   33    37    40    43   0.25700  1.0 1.0
   33    37    40    43   0.66200 -1.0 2.0
   33    37    40    43   0.04450  1.0 3.0
   33    52    60    61   0.15000  1.0 3.0
   33    52    60    62   0.15000  1.0 3.0
   33    52    60    63   0.15000  1.0 3.0
   33    58    64    65   0.15000  1.0 3.0
   33    58    64    66   0.15000  1.0 3.0
   33    58    64    67   0.15000  1.0 3.0
   37    33    52    45   0.34400  1.0 1.0
   37    33    52    45   0.09450 -1.0 2.0
   37    33    52    45   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    60   0.34400  1.0 1.0
   37    33    52    60   0.09450 -1.0 2.0
   37    33    52    60   0.11100  1.0 3.0
   37    33    58    47  -0.98800  1.0 1.0
   37    33    58    47   0.48800 -1.0 2.0
   37    33    58    47   0.76800  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    64   0.34400  1.0 1.0
   37    33    58    64   0.09450 -1.0 2.0
   37    33    58    64   0.11100  1.0 3.0
   37    38   -42    45  -2.26850  1.0 1.0
   37    38   -42    45   3.39050 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    47   0.65300  1.0 1.0
   37    40   -43    47  -0.03850 -1.0 2.0
   37    40   -43    47   0.33900  1.0 3.0
   37    40    43    49   0.65300  1.0 1.0
   37    40    43    49  -0.03850 -1.0 2.0
   37    40    43    49   0.33900  1.0 3.0
   38    37    40    41   1.00000 -1.0 2.0
   38    37    40    43  -0.33500  1.0 1.0
   38    37    40    43   1.06600 -1.0 2.0
   38    37    40    43  -0.14000  1.0 3.0
   38    42    45    46   0.08050  1.0 3.0
   38    42    45    52  -0.46850  1.0 1.0
   38    42    45    52   0.09300 -1.0 2.0
   38    42    45    52  -0.12850  1.0 3.0
   38    42    45    54  -0.46850  1.0 1.0
   38    42    45    54   0.09300 -1.0 2.0
   38    42    45    54  -0.12850  1.0 3.0
   39    38    42    45   0.50000 -1.0 2.0
   42    45   -52    33   0.62750  1.0 1.0
   42    45   -52    33  -0.30950 -1.0 2.0
   42    45   -52    33   0.27300  1.0 3.0
   42    45    52    53   0.23400  1.0 3.0
   42    45    52    60   0.62750  1.0 1.0
   42    45    52    60  -0.30950 -1.0 2.0
   42    45    52    60   0.27300  1.0 3.0
   42    45    54    55   0.23400  1.0 3.0
   42    45    54    56   0.23400  1.0 3.0
   42    45    54    57   0.23400  1.0 3.0
   45    52    60    61   0.15000  1.0 3.0
   45    52    60    62   0.15000  1.0 3.0
   45    52    60    63   0.15000  1.0 3.0
   46    45    52    33   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    60   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   46    45    54    57   0.15000  1.0 3.0
   52    33   -37    38   0.09850  1.0 1.0
   52    33   -37    38   0.15250 -1.0 2.0
   52    33   -37    38  -0.50650  1.0 3.0
   52    33    37    40   0.09700  1.0 1.0
   52    33    37    40   0.15600 -1.0 2.0
   52    33    37    40  -0.50800  1.0 3.0
   52    33    58    47  -0.95700  1.0 1.0
   52    33    58    47  -0.18200 -1.0 2.0
   52    33    58    47   0.29450  1.0 3.0
   52    33    58    59   0.15000  1.0 3.0
   52    33    58    64   0.56750  1.0 1.0
   52    33    58    64  -0.07550 -1.0 2.0
   52    33    58    64   0.20000  1.0 3.0
   52    45    54    55   0.15000  1.0 3.0
   52    45    54    56   0.15000  1.0 3.0
   52    45    54    57   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   54    45    52    33   0.56750  1.0 1.0
   54    45    52    33  -0.07550 -1.0 2.0
   54    45    52    33   0.20000  1.0 3.0
   54    45    52    53   0.15000  1.0 3.0
   54    45    52    60   0.56750  1.0 1.0
   54    45    52    60  -0.07550 -1.0 2.0
   54    45    52    60   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    47    48   0.30150 -1.0 2.0
   40    43    47    58   0.65300  1.0 1.0
   40    43    47    58  -0.03850 -1.0 2.0
   40    43    47    58   0.33900  1.0 3.0
   40    43    49    50   0.30150 -1.0 2.0
   40    43    49    51   0.30150 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    47   0.30150 -1.0 2.0
   41    40    43    49   0.30150 -1.0 2.0
   43    47   -58    33   0.60050  1.0 1.0
   43    47   -58    33   0.05600 -1.0 2.0
   43    47   -58    33   0.26150  1.0 3.0
   43    47    58    59   0.00000  1.0 1.0
   43    47    58    64   0.60050  1.0 1.0
   43    47    58    64   0.05600 -1.0 2.0
   43    47    58    64   0.26150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    58   0.00000  1.0 1.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   47    43    49    50   0.30150 -1.0 2.0
   47    43    49    51   0.30150 -1.0 2.0
   47    58    64    65  -0.11250  1.0 3.0
   47    58    64    66  -0.11250  1.0 3.0
   47    58    64    67  -0.11250  1.0 3.0
   48    47    58    33   0.30150 -1.0 2.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    64   0.30150 -1.0 2.0
   58    33    37    38   0.09850  1.0 1.0
   58    33    37    38   0.15250 -1.0 2.0
   58    33    37    38  -0.50650  1.0 3.0
   58    33   -37    40   0.09700  1.0 1.0
   58    33   -37    40   0.15600 -1.0 2.0
   58    33   -37    40  -0.50800  1.0 3.0
   58    33    52    45   0.56750  1.0 1.0
   58    33    52    45  -0.07550 -1.0 2.0
   58    33    52    45   0.20000  1.0 3.0
   58    33    52    53   0.15000  1.0 3.0
   58    33    52    60   0.56750  1.0 1.0
   58    33    52    60  -0.07550 -1.0 2.0
   58    33    52    60   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   49    43    47    48   0.30150 -1.0 2.0
   49    43    47    58   0.65300  1.0 1.0
   49    43    47    58  -0.03850 -1.0 2.0
   49    43    47    58   0.33900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   37    43    40    41  10.50000 -1.0 2.0
   43    58    47    48  10.50000 -1.0 2.0
   50    43    49    51  10.50000 -1.0 2.0
END
