* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    145    238     427
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02148    84.35021   -77.78803
    3     1 S   H    _H1_     3     1.02060    95.59952    30.51432
    4     1 S   H    _H2_     4     1.02085    33.99674   146.00953
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   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     1.83637    97.71253  -178.15167
   34    33 S   HC   _H3_    37     1.09689   105.51523    41.69985
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CT   _C8_    38     1.54077   110.61612   160.03081
   39    38 S   HC   _H11    39     1.10037   109.47619    47.04622
   40    33 S   CT   _C10    54     1.53836   109.87401   -74.25647
   41    40 S   HC   _H4_    55     1.10004   108.80798    57.11687
   42    38 S   C3T  _C7_    40     1.50474   113.15878   166.99971
   43    38 S   CO4  _C17    71     1.50348   110.94304   -69.88359
   44    43 S   O    _O33    72     1.22679   123.45199   118.86791
   45    43 S   HC   _H22    73     1.10348   115.64739   -61.04925
   46    42 S   C3T  _C6_    41     1.50376   121.81173    55.78535
   47    46 S   HC   _H9_    42     1.08474   118.52991    -1.88876
   48    46 S   HC   _H10    43     1.08503   118.68467   140.92909
   49    42 S   CO4  _C18    68     1.49892   113.48571  -161.59880
   50    49 S   O    _O34    69     1.22733   123.49402   -85.55749
   51    49 S   HC   _H23    70     1.10348   115.62953    94.49785
   52    42 S   C3T  _C5_    44     1.50981   121.15737   -16.15781
   53    52 S   CT   _C11    45     1.50597   121.27231     4.41672
   54    53 S   HC   _H5_    46     1.09760   108.59489   103.79945
   55    52 S   CT   _C4_    64     1.50535   117.29308  -148.48722
   56    55 S   HC   _H6_    65     1.09658   110.93896   113.93472
   57    55 S   HC   _H7_    66     1.09687   110.88796    -6.02187
   58    55 S   HC   _H8_    67     1.09641   110.92429  -126.06760
   59    53 S   CT   _C12    47     1.53347   112.78369  -135.04152
   60    59 S   HC   _H12    48     1.09882   107.17907  -152.83093
   61    59 S   HC   _H13    49     1.09390   115.56818   -36.23356
   62    59 S   CT   _C13    50     1.54748   106.50219    90.27584
   63    62 S   CT   _C14    51     1.54571   105.39218    10.02123
   64    63 S   HC   _H14    52     1.09506   110.28881  -104.34612
   65    63 S   HC   _H15    53     1.09546   112.24864   136.86526
   66    62 S   CT   _C15    56     1.53588   110.29524   129.47355
   67    66 S   HC   _H16    57     1.08556   109.24367    63.80876
   68    66 S   HC   _H17    58     1.08502   109.28223   -56.18424
   69    66 S   HC   _H18    59     1.08511   109.26739  -176.24694
   70    62 S   CT   _C16    60     1.53411   111.08946  -109.71363
   71    70 S   HC   _H19    61     1.08636   109.49238   -63.37768
   72    70 S   HC   _H20    62     1.08666   109.52359   176.63262
   73    70 S   HC   _H21    63     1.08687   109.50991    56.62731
  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  10   5   4   3
  19   8   2   1   1  17   8  17   8  17   5   1   1  13   5   4
   5   2   1  11  14   6   4   2   1   1  14   5   4  11  10   3
   2   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    53    63    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    52    53    54    59    62    63    64    65    40    41    49    43    44    45  
   38    39    42    53    63    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    48    52    53    63    40    41    55    49    50    51    43    44    45  
   42    46    52    40    49    43    44    45  
   41    66    70    55    43    42    46    52    53    54    59    60    61    62    63    64    65  
   52    53    54    59    62    63    64    65  
   46    47    48    52    53    54    59    55    56    57    58    49    50    51    43    44    45  
   44    45    46    49    52  
   45  
    0  
   47    48    52    53    54    59    55    56    57    58    49    50    51  
   48    52    53    55    49  
   52    53    55    49  
   50    51    52    53    55  
   51    52  
   52  
   53    54    59    60    61    62    63    55    56    57    58  
   54    59    60    61    62    63    64    65    66    70    55    56    57    58  
   59    60    61    62    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68    69    70    71    72    73  
   61    62    63    66    70  
   62    63    66    70  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    70  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.082800   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   275.000  1.510
   38    43   317.000  1.522
   42    46   260.000  1.509
   42    52   260.000  1.509
   42    49   290.000  1.496
   46    47   340.000  1.088
   46    48   340.000  1.088
   46    52   260.000  1.509
   52    53   275.000  1.510
   52    55   275.000  1.510
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    40   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    66   268.000  1.529
   62    70   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   43    44   570.000  1.229
   43    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.37300
   33    38    43    63.00000  111.10000
   33    40    53    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    42    46    60.00000  120.94000
   38    42    52    60.00000  120.94000
   38    42    49    63.00000  111.10000
   38    43    44    80.00000  120.40000
   38    43    45    35.00000  115.00000
   42    38    39    45.00000  109.38400
   42    46    47    37.50000  117.20000
   42    46    48    37.50000  117.20000
   42    46    52    10.00000   60.00500
   42    52    46    10.00000   60.00500
   42    52    53    60.00000  120.94000
   42    52    55    60.00000  120.94000
   42    49    50    75.00000  121.36600
   42    49    51    40.00000  115.82000
   46    52    53    60.00000  120.94000
   46    52    55    60.00000  120.94000
   48    46    47    35.00000  114.30000
   52    42    46    10.00000   60.00500
   52    46    47    37.50000  117.20000
   52    46    48    37.50000  117.20000
   52    53    54    45.00000  109.38400
   52    53    59    70.00000  112.37300
   52    53    40    70.00000  112.37300
   52    55    56    45.00000  109.38400
   52    55    57    45.00000  109.38400
   52    55    58    45.00000  109.38400
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    40    63    58.35000  112.70000
   53    40    41    37.50000  110.70000
   59    53    54    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    66    58.35000  112.70000
   59    62    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    40    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   63    40    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    53    59    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    63    58.35000  112.70000
   70    62    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   55    52    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    42    46    65.00000  117.18000
   49    42    52    65.00000  117.18000
   51    49    50    35.00000  123.00000
   43    38    39    35.00000  109.50000
   43    38    42    63.00000  111.10000
   45    43    44    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   33    38    42    46   0.07850  1.0 1.0
   33    38    42    46  -0.03950 -1.0 2.0
   33    38    42    46   0.67350  1.0 3.0
   33    38    42    52   0.07850  1.0 1.0
   33    38    42    52  -0.03950 -1.0 2.0
   33    38    42    52   0.67350  1.0 3.0
   33    38    42    49  -0.95700  1.0 1.0
   33    38    42    49  -0.18200 -1.0 2.0
   33    38    42    49   0.29450  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    45   0.74550  1.0 1.0
   33    38    43    45  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   38    33    40    53   0.56750  1.0 1.0
   38    33    40    53  -0.07550 -1.0 2.0
   38    33    40    53   0.20000  1.0 3.0
   38    33    40    63   0.56750  1.0 1.0
   38    33    40    63  -0.07550 -1.0 2.0
   38    33    40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42    46    48   0.15000  1.0 3.0
   38    42   -46    52   0.07850  1.0 1.0
   38    42   -46    52  -0.03950 -1.0 2.0
   38    42   -46    52   0.67350  1.0 3.0
   38    42   -52    46   0.07850  1.0 1.0
   38    42   -52    46  -0.03950 -1.0 2.0
   38    42   -52    46   0.67350  1.0 3.0
   38    42   -52    53   0.56750  1.0 1.0
   38    42   -52    53  -0.07550 -1.0 2.0
   38    42   -52    53   0.20000  1.0 3.0
   38    42    52    55   0.56750  1.0 1.0
   38    42    52    55  -0.07550 -1.0 2.0
   38    42    52    55   0.20000  1.0 3.0
   38    42    49    50   0.30150 -1.0 2.0
   38    42    49    51   0.74550  1.0 1.0
   38    42    49    51  -0.00500 -1.0 2.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    52   0.15000  1.0 3.0
   39    38    42    49  -0.11250  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   42    38    43    44   0.30150 -1.0 2.0
   42    38    43    45   0.74550  1.0 1.0
   42    38    43    45  -0.00500 -1.0 2.0
   42    46   -52    53   0.07850  1.0 1.0
   42    46   -52    53  -0.03950 -1.0 2.0
   42    46   -52    53   0.67350  1.0 3.0
   42    46   -52    55   0.07850  1.0 1.0
   42    46   -52    55  -0.03950 -1.0 2.0
   42    46   -52    55   0.67350  1.0 3.0
   42    52    53    54   0.15000  1.0 3.0
   42    52    53    59   0.07850  1.0 1.0
   42    52    53    59  -0.03950 -1.0 2.0
   42    52    53    59   0.67350  1.0 3.0
   42    52    53    40   0.07850  1.0 1.0
   42    52    53    40  -0.03950 -1.0 2.0
   42    52    53    40   0.67350  1.0 3.0
   42    52    55    56   0.15000  1.0 3.0
   42    52    55    57   0.15000  1.0 3.0
   42    52    55    58   0.15000  1.0 3.0
   46    42   -52    53   0.07850  1.0 1.0
   46    42   -52    53  -0.03950 -1.0 2.0
   46    42   -52    53   0.67350  1.0 3.0
   46    42   -52    55   0.07850  1.0 1.0
   46    42   -52    55  -0.03950 -1.0 2.0
   46    42   -52    55   0.67350  1.0 3.0
   46    42    49    50   0.30150 -1.0 2.0
   46    42    49    51   0.74550  1.0 1.0
   46    42    49    51  -0.00500 -1.0 2.0
   46    52    53    54   0.15000  1.0 3.0
   46    52    53    59   0.07850  1.0 1.0
   46    52    53    59  -0.03950 -1.0 2.0
   46    52    53    59   0.67350  1.0 3.0
   46    52    53    40   0.07850  1.0 1.0
   46    52    53    40  -0.03950 -1.0 2.0
   46    52    53    40   0.67350  1.0 3.0
   46    52    55    56   0.15000  1.0 3.0
   46    52    55    57   0.15000  1.0 3.0
   46    52    55    58   0.15000  1.0 3.0
   47    46   -52    42   0.15000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   48    46   -52    42   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    55   0.15000  1.0 3.0
   52    42   -46    47   0.15000  1.0 3.0
   52    42   -46    48   0.15000  1.0 3.0
   52    42    49    50   0.30150 -1.0 2.0
   52    42    49    51   0.74550  1.0 1.0
   52    42    49    51  -0.00500 -1.0 2.0
   52    53    59    60   0.15000  1.0 3.0
   52    53    59    61   0.15000  1.0 3.0
   52    53    59    62   0.47050  1.0 1.0
   52    53    59    62   0.03900 -1.0 2.0
   52    53    59    62   0.20100  1.0 3.0
   52    53   -40    33   0.47050  1.0 1.0
   52    53   -40    33   0.03900 -1.0 2.0
   52    53   -40    33   0.20100  1.0 3.0
   52    53    40    63   0.47050  1.0 1.0
   52    53    40    63   0.03900 -1.0 2.0
   52    53    40    63   0.20100  1.0 3.0
   52    53    40    41   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   53    59   -62    63   0.56750  1.0 1.0
   53    59   -62    63  -0.07550 -1.0 2.0
   53    59   -62    63   0.20000  1.0 3.0
   53    59    62    66   0.56750  1.0 1.0
   53    59    62    66  -0.07550 -1.0 2.0
   53    59    62    66   0.20000  1.0 3.0
   53    59    62    70   0.56750  1.0 1.0
   53    59    62    70  -0.07550 -1.0 2.0
   53    59    62    70   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    63   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   59    53    40    33   0.56750  1.0 1.0
   59    53    40    33  -0.07550 -1.0 2.0
   59    53    40    33   0.20000  1.0 3.0
   59    53   -40    63   0.56750  1.0 1.0
   59    53   -40    63  -0.07550 -1.0 2.0
   59    53   -40    63   0.20000  1.0 3.0
   59    53    40    41   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    65   0.15000  1.0 3.0
   59    62   -63    40   0.56750  1.0 1.0
   59    62   -63    40  -0.07550 -1.0 2.0
   59    62   -63    40   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   59    62    70    71   0.15000  1.0 3.0
   59    62    70    72   0.15000  1.0 3.0
   59    62    70    73   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    62    70   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   61    59    62    70   0.15000  1.0 3.0
   62    63    40    33   0.56750  1.0 1.0
   62    63    40    33  -0.07550 -1.0 2.0
   62    63    40    33   0.20000  1.0 3.0
   62    63   -40    53   0.56750  1.0 1.0
   62    63   -40    53  -0.07550 -1.0 2.0
   62    63   -40    53   0.20000  1.0 3.0
   62    63    40    41   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    73   0.15000  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    53   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   65    63    40    33   0.15000  1.0 3.0
   65    63    40    53   0.15000  1.0 3.0
   65    63    40    41   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.47050  1.0 1.0
   40    33   -38    42   0.03900 -1.0 2.0
   40    33   -38    42   0.20100  1.0 3.0
   40    33    38    43  -0.95700  1.0 1.0
   40    33    38    43  -0.18200 -1.0 2.0
   40    33    38    43   0.29450  1.0 3.0
   40    53    59    60   0.15000  1.0 3.0
   40    53    59    61   0.15000  1.0 3.0
   40    53   -59    62   0.56750  1.0 1.0
   40    53   -59    62  -0.07550 -1.0 2.0
   40    53   -59    62   0.20000  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    40   0.56750  1.0 1.0
   66    62    63    40  -0.07550 -1.0 2.0
   66    62    63    40   0.20000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    63    64   0.15000  1.0 3.0
   70    62    63    65   0.15000  1.0 3.0
   70    62    63    40   0.56750  1.0 1.0
   70    62    63    40  -0.07550 -1.0 2.0
   70    62    63    40   0.20000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    40   0.56750  1.0 1.0
   55    52    53    40  -0.07550 -1.0 2.0
   55    52    53    40   0.20000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42   -46    52  -0.95700  1.0 1.0
   49    42   -46    52  -0.18200 -1.0 2.0
   49    42   -46    52   0.29450  1.0 3.0
   49    42   -52    46  -0.95700  1.0 1.0
   49    42   -52    46  -0.18200 -1.0 2.0
   49    42   -52    46   0.29450  1.0 3.0
   49    42    52    53  -0.95700  1.0 1.0
   49    42    52    53  -0.18200 -1.0 2.0
   49    42    52    53   0.29450  1.0 3.0
   49    42    52    55  -0.95700  1.0 1.0
   49    42    52    55  -0.18200 -1.0 2.0
   49    42    52    55   0.29450  1.0 3.0
   43    38    42    46  -0.95700  1.0 1.0
   43    38    42    46  -0.18200 -1.0 2.0
   43    38    42    46   0.29450  1.0 3.0
   43    38    42    52  -0.95700  1.0 1.0
   43    38    42    52  -0.18200 -1.0 2.0
   43    38    42    52   0.29450  1.0 3.0
   43    38    42    49   0.11950  1.0 1.0
   43    38    42    49   0.20300 -1.0 2.0
   43    38    42    49  -0.70800  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
   42    51    49    50  10.50000 -1.0 2.0
   38    45    43    44  10.50000 -1.0 2.0
END
