* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    137    211     399
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02062    77.66018   -86.92272
    3     1 S   H    _H1_     3     1.02068   100.19629    20.17436
    4     1 S   H    _H2_     4     1.02093    37.50761   127.70462
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   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    57.98762
   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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80604    98.14668  -178.23764
   34    33 S   Cl   Cl1_    37     1.80548   109.47863  -177.76297
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C13    38     1.54327   108.35509   -59.99930
   39    38 S   CM   _C11    39     1.45894   120.17695   -61.47790
   40    38 S   CM   _C14    68     1.34914   122.23271   118.92174
   41    40 S   HC   _H18    69     1.08564   121.64583   179.85873
   42    39 S   CG   _C10    40     1.38538   119.43465    90.37701
   43    42 S   HC   _H15    41     1.08187   124.89243     0.02798
   44    40 S   CM   _C15    70     1.44098   119.68841    -0.02798
   45    44 S   Cl   Cl3_    71     1.72184   118.69216  -179.16514
   46    42 S   NG   _N6_    42     1.34057   119.60888   179.97202
   47    46 S   H    _H14    43     1.01922   120.26029  -180.00000
   48    44 S   CM   _C16    72     1.44065   122.70824     2.44921
   49    48 S   HC   _H19    73     1.08539   119.04901   177.36314
   50    46 S   CG   _C9_    44     1.33887   119.75524     0.08623
   51    33 S   CM   _C17    74     1.53488   109.11560    63.31890
   52    51 S   Cl   Cl2_    75     1.73954   118.18230    62.10686
   53    50 S   NI   _N7_    45     1.34711   124.94205    -0.05595
   54    50 S   NG   _N5_    50     1.39986   115.49591   179.97202
   55    39 S   CDX  _C12    46     1.38649   123.60135   -89.59349
   56    54 S   CT   _C6_    51     1.46623   119.72126  -150.04128
   57    56 S   HC   _H8_    52     1.10037   110.33849    38.91787
   58    56 S   HC   _H9_    53     1.10037   109.79939   -79.08844
   59    55 S   NE   _N8_    47     1.41830   118.38341     0.03956
   60    59 S   H    _H16    48     0.99652   118.79129    -3.18586
   61    59 S   H    _H17    49     0.99587   118.83890  -176.90067
   62    56 S   CT   _C5_    54     1.53015   110.56230   159.46367
   63    62 S   HC   _H6_    55     1.09605   108.22270   174.66762
   64    62 S   HC   _H7_    56     1.09878   109.48598   -68.73539
   65    62 S   NT   _N4_    57     1.46786   111.07857    53.77674
   66    65 S   CT   _C8_    58     1.46837   109.88442   -59.99833
   67    66 S   HC   _H12    59     1.09845   110.66416   -61.81261
   68    66 S   HC   _H13    60     1.09650   110.01458   179.81869
   69    65 S   CT   _C4_    64     1.46182   110.55469   177.73947
   70    69 S   HC   _H3_    65     1.09330   110.11664  -180.00000
   71    69 S   HC   _H4_    66     1.09417   110.23077    59.99703
   72    69 S   HC   _H5_    67     1.09284   110.25038   -59.98592
   73    54 S   CT   _C7_    61     1.46808   118.03736    59.69978
   74    73 S   HC   _H10    62     1.10100   109.73305    79.64944
   75    73 S   HC   _H11    63     1.09959   110.33371   -38.37163
  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   8   5   4   3
  12   6   2   1   1  14  14   8   3   8   4   5   3   7   3   3
   2  12   1   1   7  14   3  11   6   5   2   1   1  11   4   3
  10   9   5   4   4   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    55    40    41    44    48    49    51    52  
   38    39    40    48    51    52  
   36    37  
   37  
    0  
   39    42    43    46    53    55    59    40    41    44    45    48    51    52  
   42    43    46    47    50    53    55    59    60    61    40    41    44    51  
   41    44    45    48    49    51    42    55  
   44    45    48  
   43    46    47    50    53    55    59    54  
   46    47    50    55  
   45    48    49    51    52  
   48    49    51  
   47    50    53    55    54    56    73  
   50    53    54  
   49    51    52  
   51    52  
   53    55    59    54    56    57    58    62    66    73    74    75  
   52  
    0  
   55    59    60    61    54    56    73  
   56    57    58    62    63    64    65    66    67    68    73    74    75    55  
   59    60    61  
   57    58    62    63    64    65    66    73    74    75    69  
   58    62    63    64    65    73  
   62    63    64    65    73  
   60    61  
   61  
    0  
   63    64    65    66    67    68    73    69    70    71    72  
   64    65    66    69  
   65    66    69  
   66    67    68    73    74    75    69    70    71    72  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    69  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75  
   75  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050  -0.150600   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.2500   0.1700  -0.151000   2.2900   2.0360   0.003973653   1.685851020
   47   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.2500   0.0500   0.364100   2.1120   1.8750   0.001000000  -0.126889456
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   53   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   54   3.2500   0.1700   0.099800   1.9050   1.6860   0.051222218  -2.220205820
   55   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.051000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.795000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   66   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.051000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   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    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   245.000  1.781
   33    38   317.000  1.510
   33    51   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   400.000  1.403
   39    55   427.000  1.433
   42    43   385.000  1.083
   42    46   481.000  1.340
   46    47   434.000  1.010
   46    50   481.000  1.340
   50    53   440.000  1.338
   50    54   481.000  1.340
   53    55   650.000  1.285
   55    59   445.000  1.380
   59    60   434.000  1.010
   59    61   434.000  1.010
   54    56   337.000  1.463
   54    73   337.000  1.463
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   382.000  1.448
   65    66   382.000  1.448
   65    69   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    48   380.000  1.444
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   300.000  1.725
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    51    48    70.00000  124.00000
   33    51    52    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    65.00000  121.68800
   38    39    55    65.00000  119.07600
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    40.00000  123.36000
   39    42    46    70.00000  121.25000
   39    55    53    65.00000  128.60800
   39    55    59    75.00000  117.28700
   42    46    47    35.00000  120.00000
   42    46    50    85.00000  121.24000
   46    42    43    45.00000  116.52200
   46    50    53    75.00000  124.00000
   46    50    54    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    55    70.00000  113.10000
   50    54    56    50.00000  123.20000
   50    54    73    50.00000  123.20000
   53    55    59    75.00000  124.36500
   55    39    42    65.00000  119.07600
   55    59    60    35.00000  119.50000
   55    59    61    35.00000  119.50000
   61    59    60    35.00000  109.00000
   54    50    53    75.00000  124.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    62    80.00000  111.20000
   54    73    66    80.00000  111.20000
   54    73    74    35.00000  109.50000
   54    73    75    35.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    56.20000  109.47000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    65    66    51.80000  107.20000
   62    65    69    51.80000  107.20000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    73    56.20000  109.47000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   68    66    67    33.00000  107.80000
   73    54    56    70.00000  120.45500
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   75    73    74    33.00000  107.80000
   69    65    66    51.80000  107.20000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    48    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    51    70.00000  123.01800
   48    44    45    75.00000  121.50000
   48    51    52    75.00000  121.50000
   51    33    34    75.00000  111.90500
   51    33    38    70.00000  110.12100
   51    48    49    35.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    48   0.42700  1.0 1.0
   29    33    51    48  -0.70350 -1.0 2.0
   29    33    51    48  -0.43150  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    55   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    51    48   0.09700  1.0 1.0
   34    33    51    48   0.15600 -1.0 2.0
   34    33    51    48  -0.50800  1.0 3.0
   34    33    51    52   0.09700  1.0 1.0
   34    33    51    52   0.15600 -1.0 2.0
   34    33    51    52  -0.50800  1.0 3.0
   38    33    51    48  -0.28300  1.0 1.0
   38    33    51    48   0.26700 -1.0 2.0
   38    33    51    48  -0.63300  1.0 3.0
   38    33    51    52   0.09700  1.0 1.0
   38    33    51    52   0.15600 -1.0 2.0
   38    33    51    52  -0.50800  1.0 3.0
   38    39    42    43   1.36050 -1.0 2.0
   38    39    42    46   1.09700  1.0 1.0
   38    39    42    46   0.56350 -1.0 2.0
   38    39    42    46   0.49350  1.0 3.0
   38    39    55    53   1.09650  1.0 1.0
   38    39    55    53   0.48950 -1.0 2.0
   38    39    55    53   0.49400  1.0 3.0
   38    39    55    59   1.09700  1.0 1.0
   38    39    55    59   0.56350 -1.0 2.0
   38    39    55    59   0.49350  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    48   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    47   1.50000 -1.0 2.0
   39    42    46    50   4.00000 -1.0 2.0
   39    55    59    60   1.00000 -1.0 2.0
   39    55    59    61   1.00000 -1.0 2.0
   42    39    55    53   1.09650  1.0 1.0
   42    39    55    53   0.48950 -1.0 2.0
   42    39    55    53   0.49400  1.0 3.0
   42    39    55    59   1.09700  1.0 1.0
   42    39    55    59   0.56350 -1.0 2.0
   42    39    55    59   0.49350  1.0 3.0
   42    46   -50    53   4.00000 -1.0 2.0
   42    46    50    54   4.00000 -1.0 2.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    50   4.00000 -1.0 2.0
   46    50    53    55   6.00000 -1.0 2.0
   46    50    54    56   3.96800 -1.0 2.0
   46    50    54    73   3.96800 -1.0 2.0
   47    46    50    53   1.50000 -1.0 2.0
   47    46    50    54   1.50000 -1.0 2.0
   50    53   -55    39   6.00000 -1.0 2.0
   50    53    55    59   6.00000 -1.0 2.0
   50    54    56    57   0.08850  1.0 3.0
   50    54    56    58   0.08850  1.0 3.0
   50    54    56    62   0.25550 -1.0 2.0
   50    54    73    66   0.25550 -1.0 2.0
   50    54    73    74   0.08850  1.0 3.0
   50    54    73    75   0.08850  1.0 3.0
   53    50    54    56  -0.86000  1.0 1.0
   53    50    54    56   0.84650 -1.0 2.0
   53    50    54    73  -0.86000  1.0 1.0
   53    50    54    73   0.84650 -1.0 2.0
   53    55    59    60   1.50000 -1.0 2.0
   53    55    59    61   1.50000 -1.0 2.0
   55    39    42    43   1.36050 -1.0 2.0
   55    39   -42    46   1.09700  1.0 1.0
   55    39   -42    46   0.56350 -1.0 2.0
   55    39   -42    46   0.49350  1.0 3.0
   54    50    53    55   6.00000 -1.0 2.0
   54    56    62    63  -0.29100  1.0 3.0
   54    56    62    64  -0.29100  1.0 3.0
   54    56    62    65   4.29400  1.0 1.0
   54    56    62    65   0.12050 -1.0 2.0
   56    54    73    66   0.00000  1.0 1.0
   56    54    73    74   0.00000  1.0 1.0
   56    54    73    75   0.00000  1.0 1.0
   56    62   -65    66   0.23450  1.0 1.0
   56    62   -65    66   0.02050 -1.0 2.0
   56    62   -65    66   0.25250  1.0 3.0
   56    62    65    69   0.58650  1.0 1.0
   56    62    65    69   0.12600 -1.0 2.0
   56    62    65    69   0.33350  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  1.0 3.0
   62    65    66    67   0.28000  1.0 3.0
   62    65    66    68   0.28000  1.0 3.0
   62    65    66    73   0.23450  1.0 1.0
   62    65    66    73   0.02050 -1.0 2.0
   62    65    66    73   0.25250  1.0 3.0
   62    65    69    70   0.28000  1.0 3.0
   62    65    69    71   0.28000  1.0 3.0
   62    65    69    72   0.28000  1.0 3.0
   63    62    65    66   0.28000  1.0 3.0
   63    62    65    69   0.28000  1.0 3.0
   64    62    65    66   0.28000  1.0 3.0
   64    62    65    69   0.28000  1.0 3.0
   65    66   -73    54   4.29400  1.0 1.0
   65    66   -73    54   0.12050 -1.0 2.0
   65    66    73    74   0.15000  1.0 3.0
   65    66    73    75   0.15000  1.0 3.0
   66    65    69    70   0.28000  1.0 3.0
   66    65    69    71   0.28000  1.0 3.0
   66    65    69    72   0.28000  1.0 3.0
   67    66    73    54  -0.29100  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   68    66    73    54  -0.29100  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   73    54    56    57   0.00000  1.0 1.0
   73    54    56    58   0.00000  1.0 1.0
   73    54   -56    62   0.00000  1.0 1.0
   69    65    66    67   0.28000  1.0 3.0
   69    65    66    68   0.28000  1.0 3.0
   69    65    66    73   0.58650  1.0 1.0
   69    65    66    73   0.12600 -1.0 2.0
   69    65    66    73   0.33350  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    55   7.00000 -1.0 2.0
   40    44    48    49  -0.18600  1.0 3.0
   40    44    48    51   0.28850  1.0 1.0
   40    44    48    51   2.61350 -1.0 2.0
   40    44    48    51   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    48   7.00000 -1.0 2.0
   44    48   -51    33   7.00000 -1.0 2.0
   44    48    51    52   7.00000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51  -0.18600  1.0 3.0
   49    48    51    33   7.00000 -1.0 2.0
   49    48    51    52   7.00000 -1.0 2.0
   51    33    38    39  -0.28300  1.0 1.0
   51    33    38    39   0.26700 -1.0 2.0
   51    33    38    39  -0.63300  1.0 3.0
   51    33   -38    40  -0.28300  1.0 1.0
   51    33   -38    40   0.26700 -1.0 2.0
   51    33   -38    40  -0.63300  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    40    38    39   1.10000 -1.0 2.0
   42    55    39    38   1.10000 -1.0 2.0
   39    43    42    46  10.50000 -1.0 2.0
   53    54    50    46  10.50000 -1.0 2.0
   59    39    55    53  10.50000 -1.0 2.0
   61    55    59    60   1.00000 -1.0 2.0
   73    50    54    56   1.00000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   44    49    48    51   1.10000 -1.0 2.0
   33    52    51    48   1.10000 -1.0 2.0
END
