* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    140    208     394
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094    99.01902   -51.73814
    3     1 S   H    _H1_     3     1.02078    79.52984    55.79663
    4     1 S   H    _H2_     4     1.02116    36.36646  -161.04563
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C14    36     1.80594    98.15691  -178.21469
   34    33 S   F    _F23    37     1.36549   108.08056    41.13718
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C7_    38     1.53079   109.32773   159.95631
   39    38 S   CM   _C6_    39     1.34540   120.63670   113.90325
   40    39 S   F    _F21    40     1.34806   121.59229   179.35502
   41    38 S   CT   _C19    50     1.50336   117.75138   -69.22374
   42    41 S   HC   _H41    51     1.08734   109.87361   -26.83629
   43    41 S   HC   _H42    52     1.08725   109.24349  -147.06010
   44    39 S   CM   _C4_    41     1.43629   120.46452     0.49889
   45    44 S   F    _F20    42     1.34862   117.95573  -168.98183
   46    41 S   OS   _O19    53     1.41408   109.59901    93.45935
   47    44 S   CM   _C5_    43     1.44555   122.98060     6.16392
   48    46 S   CO4  _C11    54     1.37078   116.13347   179.98022
   49    48 S   O    _O18    55     1.22331   125.72063     0.00000
   50    33 S   CM   _C8_    44     1.51995   107.24817   -75.71055
   51    50 S   F    _F22    45     1.35540   117.75758    66.03476
   52    47 S   CT   _C16    46     1.49543   118.06607   173.46253
   53    52 S   HC   _H32    47     1.08957   109.70733    90.03428
   54    52 S   HC   _H33    48     1.08936   109.75049   -30.15628
   55    52 S   HC   _H34    49     1.08976   109.72593  -149.82518
   56    48 S   C3T  _C13    56     1.49892   110.19925  -179.98022
   57    56 S   HC   _H31    57     1.08611   113.25721    59.99207
   58    56 S   C3T  _C12    58     1.50014   118.73169  -155.81955
   59    58 S   HC   _H30    59     1.08565   117.43502     3.09857
   60    56 S   C3T  _C15    60     1.50067   120.43617   -85.62589
   61    58 S   CM   _C9_    69     1.45493   118.59924  -138.88848
   62    61 S   HC   _H29    70     1.08836   114.39892    23.58645
   63    60 S   CT   _C17    61     1.49164   119.16467    -1.13591
   64    63 S   HC   _H35    62     1.10062   111.52853   110.87925
   65    63 S   HC   _H36    63     1.10167   111.54170    -9.11669
   66    63 S   HC   _H37    64     1.10146   111.52950  -129.07088
   67    60 S   CT   _C18    65     1.49324   117.37876   141.97877
   68    67 S   HC   _H38    66     1.10121   111.46808  -110.66803
   69    67 S   HC   _H39    67     1.10028   111.53055   129.32893
   70    67 S   HC   _H40    68     1.10132   111.48261     9.28944
   71    61 S   CM   _C10    71     1.34337   127.88785  -156.52327
   72    71 S   Cl   CL28    72     1.73292   121.28280     0.00000
   73    71 S   CT   _C20    73     1.49215   124.24706   180.00000
   74    73 S   F    _F24    74     1.35826   111.79252  -179.98022
   75    73 S   F    _F25    75     1.35823   111.83193    60.28402
   76    73 S   F    _F26    76     1.35880   113.10675   -59.83316
  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
  13   6   2   1   1  12  10   4   8   3   2   8   3   6   6   9
   4   5   1   3   2   1   1  15   6  15   6  11   9   3   7   3
   2   1   3   2   1   1   5   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    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    47    50    51    52    41    42    43    46  
   38    39    47    50    51    41  
   36    37  
   37  
    0  
   39    40    44    45    47    50    51    41    42    43    46    48  
   40    44    45    47    50    52    41    42    43    46  
   44    45    47    41  
   42    43    46    48    49    56    44    50  
   43    46    48  
   46    48  
   45    47    50    51    52    53    54    55  
   47    50    52  
   48    49    56    57    58    60  
   50    51    52    53    54    55  
   49    56    57    58    59    60    63    67    61  
   56    57    58    60  
   51    52    53    54    55  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    63    64    65    66    67    68    69    70    61    62    71  
   58    59    60    63    67    61  
   59    60    63    64    65    66    67    68    69    70    61    62    71    72    73  
   60    63    67    61    62    71  
   63    64    65    66    67    68    69    70    61    62    71  
   62    71    72    73    74    75    76    63    67  
   71    72    73  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.292500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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  -0.434833   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.191400   2.0020   1.7750   0.023028004  -0.852763146
   40   2.9400   0.0610  -0.191400   2.4980   2.2250   0.001000000   0.985400000
   41   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5500   0.0760  -0.141933   2.0020   1.7750   0.023028004  -0.852763146
   45   2.9400   0.0610  -0.191400   2.4980   2.2250   0.001000000   0.985400000
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.174433   2.0020   1.7750   0.023028004  -0.852763146
   51   2.9400   0.0610  -0.191400   2.4980   2.2250   0.001000000   0.985400000
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   73   3.2500   0.0620   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   76   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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   367.000  1.332
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   549.000  1.340
   38    41   317.000  1.510
   39    40   480.000  1.343
   39    44   380.000  1.444
   44    45   480.000  1.343
   44    47   380.000  1.444
   47    50   549.000  1.340
   47    52   317.000  1.510
   50    51   480.000  1.343
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    48   214.000  1.327
   48    49   570.000  1.229
   48    56   290.000  1.496
   56    57   340.000  1.088
   56    58   260.000  1.509
   56    60   260.000  1.509
   58    59   340.000  1.088
   58    60   260.000  1.509
   58    61   305.000  1.480
   60    63   275.000  1.510
   60    67   275.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   340.000  1.080
   61    71   549.000  1.340
   71    72   300.000  1.725
   71    73   317.000  1.510
   73    74   367.000  1.332
   73    75   367.000  1.332
   73    76   367.000  1.332
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    90.00000  110.13500
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  119.00000
   38    33    34    85.00000  110.69400
   38    39    40    75.00000  119.07600
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    85.00000  110.90400
   39    44    45    75.00000  119.07600
   39    44    47    70.00000  123.01800
   44    39    40    75.00000  119.07600
   44    47    50    70.00000  123.01800
   44    47    52    70.00000  124.00000
   47    44    45    75.00000  119.07600
   47    50    51    75.00000  119.07600
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   50    33    34    85.00000  110.69400
   50    33    38    70.00000  110.12100
   52    47    50    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    48    83.00000  116.90000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    48    49    83.00000  123.40000
   46    48    56    81.00000  111.40000
   48    56    57    40.00000  116.18000
   48    56    58    65.00000  117.18000
   48    56    60    65.00000  117.18000
   56    48    49    75.00000  121.36600
   56    58    59    37.50000  117.20000
   56    58    60    10.00000   60.00500
   56    58    61    60.00000  120.58800
   56    60    58    10.00000   60.00500
   56    60    63    60.00000  120.94000
   56    60    67    60.00000  120.94000
   58    56    57    37.50000  117.20000
   58    60    63    60.00000  120.94000
   58    60    67    60.00000  120.94000
   58    61    62    40.00000  117.24000
   58    61    71    55.00000  125.06700
   60    56    57    37.50000  117.20000
   60    56    58    10.00000   60.00500
   60    58    59    37.50000  117.20000
   60    63    64    45.00000  109.38400
   60    63    65    45.00000  109.38400
   60    63    66    45.00000  109.38400
   60    67    68    45.00000  109.38400
   60    67    69    45.00000  109.38400
   60    67    70    45.00000  109.38400
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    58    59    40.00000  112.45000
   61    58    60    60.00000  120.58800
   61    71    72    75.00000  121.50000
   61    71    73    70.00000  124.00000
   71    61    62    35.00000  120.00000
   71    73    74    85.00000  110.69400
   71    73    75    85.00000  110.69400
   71    73    76    85.00000  110.69400
   73    71    72    75.00000  111.02000
   75    73    74    77.00000  109.10000
   76    73    74    77.00000  109.10000
   76    73    75    77.00000  109.10000
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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.09700  1.0 1.0
   33    38    41    46   0.15600 -1.0 2.0
   33    38    41    46  -0.50800  1.0 3.0
   34    33    38    39   0.24700  1.0 1.0
   34    33    38    39   0.40650 -1.0 2.0
   34    33    38    39  -0.40300  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    50    47   0.24700  1.0 1.0
   34    33    50    47   0.40650 -1.0 2.0
   34    33    50    47  -0.40300  1.0 3.0
   34    33    50    51   0.09700  1.0 1.0
   34    33    50    51   0.15600 -1.0 2.0
   34    33    50    51  -0.50800  1.0 3.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    44    45  -0.18600  1.0 3.0
   38    39   -44    47   0.28850  1.0 1.0
   38    39   -44    47   2.61350 -1.0 2.0
   38    39   -44    47   0.78400  1.0 3.0
   38    41    46    48  -0.82050  1.0 1.0
   38    41    46    48   0.00600 -1.0 2.0
   38    41    46    48   0.04400  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46   0.39000  1.0 1.0
   39    38    41    46  -0.05800 -1.0 2.0
   39    38    41    46  -0.55150  1.0 3.0
   39    44    47    50   0.28850  1.0 1.0
   39    44    47    50   2.61350 -1.0 2.0
   39    44    47    50   0.78400  1.0 3.0
   39    44    47    52  -0.18600  1.0 3.0
   40    39    44    45   1.08500 -1.0 2.0
   40    39    44    47  -0.18600  1.0 3.0
   44    47   -50    33   7.00000 -1.0 2.0
   44    47    50    51   7.00000 -1.0 2.0
   44    47    52    53   0.00000  1.0 1.0
   44    47    52    54   0.00000  1.0 1.0
   44    47    52    55   0.00000  1.0 1.0
   45    44    47    50  -0.18600  1.0 3.0
   45    44    47    52   1.08500 -1.0 2.0
   50    33   -38    39  -0.28300  1.0 1.0
   50    33   -38    39   0.26700 -1.0 2.0
   50    33   -38    39  -0.63300  1.0 3.0
   50    33    38    41   0.09700  1.0 1.0
   50    33    38    41   0.15600 -1.0 2.0
   50    33    38    41  -0.50800  1.0 3.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    54   0.00000  1.0 1.0
   50    47    52    55   0.00000  1.0 1.0
   52    47    50    33   7.00000 -1.0 2.0
   52    47    50    51   7.00000 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    48    49   3.00000 -1.0 2.0
   41    46    48    56   1.63150  1.0 1.0
   41    46    48    56   2.92000 -1.0 2.0
   42    41    46    48   0.08050  1.0 3.0
   43    41    46    48   0.08050  1.0 3.0
   46    48    56    57   0.00000  1.0 1.0
   46    48    56    58   0.36750  1.0 3.0
   46    48    56    60   0.36750  1.0 3.0
   48    56    58    59   0.15000  1.0 3.0
   48    56   -58    60  -0.95700  1.0 1.0
   48    56   -58    60  -0.18200 -1.0 2.0
   48    56   -58    60   0.29450  1.0 3.0
   48    56    58    61  -0.98800  1.0 1.0
   48    56    58    61   0.48800 -1.0 2.0
   48    56    58    61   0.76800  1.0 3.0
   48    56   -60    58  -0.95700  1.0 1.0
   48    56   -60    58  -0.18200 -1.0 2.0
   48    56   -60    58   0.29450  1.0 3.0
   48    56    60    63  -0.95700  1.0 1.0
   48    56    60    63  -0.18200 -1.0 2.0
   48    56    60    63   0.29450  1.0 3.0
   48    56    60    67  -0.95700  1.0 1.0
   48    56    60    67  -0.18200 -1.0 2.0
   48    56    60    67   0.29450  1.0 3.0
   49    48    56    57   0.50000  1.0 3.0
   49    48    56    58   0.30150 -1.0 2.0
   49    48    56    60   0.30150 -1.0 2.0
   56    58   -60    63   0.07850  1.0 1.0
   56    58   -60    63  -0.03950 -1.0 2.0
   56    58   -60    63   0.67350  1.0 3.0
   56    58   -60    67   0.07850  1.0 1.0
   56    58   -60    67  -0.03950 -1.0 2.0
   56    58   -60    67   0.67350  1.0 3.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    71   0.09850  1.0 1.0
   56    58    61    71   0.15250 -1.0 2.0
   56    58    61    71  -0.50650  1.0 3.0
   56    60    63    64   0.15000  1.0 3.0
   56    60    63    65   0.15000  1.0 3.0
   56    60    63    66   0.15000  1.0 3.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56   -58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56   -60    58   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   58    56   -60    63   0.07850  1.0 1.0
   58    56   -60    63  -0.03950 -1.0 2.0
   58    56   -60    63   0.67350  1.0 3.0
   58    56   -60    67   0.07850  1.0 1.0
   58    56   -60    67  -0.03950 -1.0 2.0
   58    56   -60    67   0.67350  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    65   0.15000  1.0 3.0
   58    60    63    66   0.15000  1.0 3.0
   58    60    67    68   0.15000  1.0 3.0
   58    60    67    69   0.15000  1.0 3.0
   58    60    67    70   0.15000  1.0 3.0
   58    61    71    72   7.00000 -1.0 2.0
   58    61    71    73   7.00000 -1.0 2.0
   59    58   -60    56   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    67   0.15000  1.0 3.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    71   0.00000  1.0 1.0
   60    56   -58    59   0.15000  1.0 3.0
   60    56   -58    61   0.34400  1.0 1.0
   60    56   -58    61   0.09450 -1.0 2.0
   60    56   -58    61   0.11100  1.0 3.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    71   0.09850  1.0 1.0
   60    58    61    71   0.15250 -1.0 2.0
   60    58    61    71  -0.50650  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   61    58   -60    56   0.34400  1.0 1.0
   61    58   -60    56   0.09450 -1.0 2.0
   61    58   -60    56   0.11100  1.0 3.0
   61    58    60    63   0.34400  1.0 1.0
   61    58    60    63   0.09450 -1.0 2.0
   61    58    60    63   0.11100  1.0 3.0
   61    58    60    67   0.34400  1.0 1.0
   61    58    60    67   0.09450 -1.0 2.0
   61    58    60    67   0.11100  1.0 3.0
   61    71    73    74   0.24700  1.0 1.0
   61    71    73    74   0.40650 -1.0 2.0
   61    71    73    74  -0.40300  1.0 3.0
   61    71    73    75   0.24700  1.0 1.0
   61    71    73    75   0.40650 -1.0 2.0
   61    71    73    75  -0.40300  1.0 3.0
   61    71    73    76   0.24700  1.0 1.0
   61    71    73    76   0.40650 -1.0 2.0
   61    71    73    76  -0.40300  1.0 3.0
   62    61    71    72   7.00000 -1.0 2.0
   62    61    71    73   7.00000 -1.0 2.0
   72    71    73    74   0.09700  1.0 1.0
   72    71    73    74   0.15600 -1.0 2.0
   72    71    73    74  -0.50800  1.0 3.0
   72    71    73    75   0.09700  1.0 1.0
   72    71    73    75   0.15600 -1.0 2.0
   72    71    73    75  -0.50800  1.0 3.0
   72    71    73    76   0.09700  1.0 1.0
   72    71    73    76   0.15600 -1.0 2.0
   72    71    73    76  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   44    52    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
   46    56    48    49  10.50000 -1.0 2.0
   58    62    61    71  15.00000 -1.0 2.0
   73    72    71    61  15.00000 -1.0 2.0
END
