* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    227     426
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113    60.64909  -109.39201
    3     1 S   H    _H1_     3     1.02047   106.37330    -6.83687
    4     1 S   H    _H2_     4     1.02082    51.57092    94.28844
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C15    36     1.88823    96.82865   161.85667
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C9_    37     1.56815   102.43423    59.98557
   38    37 S   HC   _H26    38     1.09554   109.38705    49.21944
   39    37 S   HC   _H27    39     1.10004   107.09969   -62.97261
   40    33 S   CT   _C13    54     1.58940   110.51525   -60.08161
   41    40 S   OM   _O16    55     1.32831   110.91506   -46.10429
   42    40 S   HC   _H32    56     1.09029   105.32972    80.33601
   43    33 S   CT   _C18    72     1.54216   105.47118   176.01769
   44    43 S   HC   _H39    73     1.07990   108.55763    69.88732
   45    43 S   HC   _H40    74     1.08026   108.54430   -50.14909
   46    43 S   HC   _H41    75     1.08057   108.50990  -170.12873
   47    37 S   CT   _C8_    40     1.53777   120.33198   176.55054
   48    47 S   HC   _H24    41     1.08728   111.99612  -137.07320
   49    47 S   HC   _H25    42     1.09058   105.62975   -21.62386
   50    47 S   C4T  _C12    43     1.53264   113.22952    98.16851
   51    50 S   HC   _H31    44     1.09150   111.49904    29.60704
   52    50 S   C4T  _C11    45     1.56749   119.75570  -108.11034
   53    52 S   HC   _H30    46     1.11662   109.18446   -28.28876
   54    50 S   C4T  _C14    63     1.56030   113.50880   153.20086
   55    52 S   CM   _C4_    47     1.49406   116.06642    96.27735
   56    52 S   C4T  _C10    60     1.54892    87.10863  -141.15278
   57    56 S   HC   _H28    61     1.09333   115.48673   144.65424
   58    56 S   HC   _H29    62     1.09716   114.59995   -88.32086
   59    54 S   CT   _C16    64     1.51686   119.24455    33.70420
   60    59 S   HC   _H33    65     1.09227   110.33769   -80.16536
   61    59 S   HC   _H34    66     1.09242   110.39666   159.75975
   62    59 S   HC   _H35    67     1.09294   110.32666    39.79552
   63    54 S   CT   _C17    68     1.51359   113.43466   -98.29909
   64    63 S   HC   _H36    69     1.09311   110.53160    82.17020
   65    63 S   HC   _H37    70     1.09389   110.51472   -37.91201
   66    63 S   HC   _H38    71     1.09448   110.45592  -157.86650
   67    55 S   CT   _C6_    48     1.51191   116.61838  -104.50046
   68    67 S   HC   _H20    49     1.08917   111.12374  -179.64282
   69    67 S   HC   _H21    50     1.09588   108.06244   -65.40531
   70    55 S   CM   _C5_    57     1.34118   121.97135    73.30520
   71    70 S   HC   _H18    58     1.07927   120.29908     2.28088
   72    70 S   HC   _H19    59     1.07945   120.32520  -177.69157
   73    67 S   CT   _C7_    51     1.54105   112.61459    52.90636
   74    73 S   HC   _H22    52     1.10075   105.95229  -173.38942
   75    73 S   HC   _H23    53     1.09351   109.69195   -61.26386
  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  13   5   4   3
  18   2   1   1  17   7   6  14   6   5   5   2   1   1  11   5
   4  18   7  15   7  12  12  12   3   2   7   3   2   1   3   2
   1   1   8   5   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    73    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    67    73    74    75    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    73    40    41    42    54    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    55    67    68    69    73    74    75  
   42    43    67    73    74    75  
   43    67    73    74    75  
   44    45    46    47    73  
   45    46  
   46  
    0  
   48    49    50    51    52    53    55    56    54    59    63  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    55    67    70    56    57    58    54    59    60    61    62    63    64    65    66  
   52    53    55    56    54    59    63  
   53    55    67    68    69    73    70    71    72    56    57    58    54    59    63  
   55    67    70    56    57    58    54  
   59    60    61    62    63    64    65    66    55    56    57    58  
   67    68    69    73    74    75    70    71    72    56    57    58  
   57    58    59    60    61    62    63    64    65    66    67    70  
   58    59    63  
   59    63  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70  
   73    74    75    70  
   71    72    73  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.121200   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  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   260.000  1.519
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    56   268.000  1.529
   55    67   317.000  1.510
   55    70   549.000  1.340
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    54   268.000  1.529
   54    59   260.000  1.519
   54    63   260.000  1.519
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.98000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    45.00000  112.72800
   47    50    52    65.00000  119.52000
   47    50    54    65.00000  119.52000
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  111.22300
   50    47    49    45.00000  111.22300
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    56    63.00000   92.00000
   50    54    56    63.00000   92.00000
   50    54    59    65.00000  119.52000
   50    54    63    65.00000  119.52000
   52    50    51    37.50000  110.70000
   52    55    67    65.00000  117.92700
   52    55    70    70.00000  124.00000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    54    63.00000   92.00000
   55    52    53    35.00000  109.50000
   55    67    68    35.00000  109.50000
   55    67    69    35.00000  109.50000
   55    67    73    70.00000  112.02700
   55    70    71    35.00000  120.00000
   55    70    72    35.00000  120.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    40    41    50.00000  109.50000
   73    40    42    37.50000  110.70000
   75    73    74    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   42    40    41    45.00000  125.66300
   70    55    67    70.00000  124.00000
   72    70    71    35.00000  117.00000
   56    52    53    37.50000  110.70000
   56    52    55    70.00000  112.02700
   56    54    59    65.00000  119.52000
   56    54    63    65.00000  119.52000
   58    56    57    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000   92.00000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    59    60    45.00000  111.22300
   54    59    61    45.00000  111.22300
   54    59    62    45.00000  111.22300
   54    63    64    45.00000  111.22300
   54    63    65    45.00000  111.22300
   54    63    66    45.00000  111.22300
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    54    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.31550 -1.0 2.0
   33    37    47    50   0.11250  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.04050  1.0 1.0
   37    47    50    52   0.63700 -1.0 2.0
   37    47    50    52   0.17650  1.0 3.0
   37    47    50    54   0.04050  1.0 1.0
   37    47    50    54   0.63700 -1.0 2.0
   37    47    50    54   0.17650  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    55   0.34400  1.0 1.0
   47    50    52    55   0.09450 -1.0 2.0
   47    50    52    55   0.11100  1.0 3.0
   47    50    52    56  -0.70950  1.0 1.0
   47    50    52    56   0.38400 -1.0 2.0
   47    50   -54    56  -0.70950  1.0 1.0
   47    50   -54    56   0.38400 -1.0 2.0
   47    50    54    59   0.56750  1.0 1.0
   47    50    54    59  -0.07550 -1.0 2.0
   47    50    54    59   0.20000  1.0 3.0
   47    50    54    63   0.56750  1.0 1.0
   47    50    54    63  -0.07550 -1.0 2.0
   47    50    54    63   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    54   0.00000  1.0 1.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   49    47    50    54   0.00000  1.0 1.0
   50    52    55    67   0.46850  1.0 1.0
   50    52    55    67   0.08550 -1.0 2.0
   50    52    55    67   0.09800  1.0 3.0
   50    52    55    70   0.09850  1.0 1.0
   50    52    55    70   0.15250 -1.0 2.0
   50    52    55    70  -0.50650  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    58   0.15000  1.0 3.0
   50    52   -56    54   0.00000  1.0 1.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   50    54    59    62   0.00000  1.0 1.0
   50    54    63    64   0.00000  1.0 1.0
   50    54    63    65   0.00000  1.0 1.0
   50    54    63    66   0.00000  1.0 1.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50   -54    56   0.15000  1.0 3.0
   51    50    54    59   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   52    50   -54    56   0.00000  1.0 1.0
   52    50    54    59  -0.70950  1.0 1.0
   52    50    54    59   0.38400 -1.0 2.0
   52    50    54    63  -0.70950  1.0 1.0
   52    50    54    63   0.38400 -1.0 2.0
   52    55    67    68   0.34800  1.0 3.0
   52    55    67    69   0.34800  1.0 3.0
   52    55    67    73   0.46850  1.0 1.0
   52    55    67    73   0.08550 -1.0 2.0
   52    55    67    73   0.09800  1.0 3.0
   52    55    70    71   7.00000 -1.0 2.0
   52    55    70    72   7.00000 -1.0 2.0
   52    56   -54    50   0.00000  1.0 1.0
   52    56   -54    59  -0.70950  1.0 1.0
   52    56   -54    59   0.38400 -1.0 2.0
   52    56   -54    63  -0.70950  1.0 1.0
   52    56   -54    63   0.38400 -1.0 2.0
   53    52    55    67   0.34800  1.0 3.0
   53    52    55    70   0.00000  1.0 1.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    54   0.15000  1.0 3.0
   55    52    56    57   0.15000  1.0 3.0
   55    52    56    58   0.15000  1.0 3.0
   55    52    56    54   0.34400  1.0 1.0
   55    52    56    54   0.09450 -1.0 2.0
   55    52    56    54   0.11100  1.0 3.0
   55    67    73    74   0.15000  1.0 3.0
   55    67    73    75   0.15000  1.0 3.0
   55    67    73    40   0.34400  1.0 1.0
   55    67    73    40   0.09450 -1.0 2.0
   55    67    73    40   0.11100  1.0 3.0
   67    55    70    71   7.00000 -1.0 2.0
   67    55    70    72   7.00000 -1.0 2.0
   67    73    40    33   0.56750  1.0 1.0
   67    73    40    33  -0.07550 -1.0 2.0
   67    73    40    33   0.20000  1.0 3.0
   67    73    40    41   0.62750  1.0 1.0
   67    73    40    41  -0.30950 -1.0 2.0
   67    73    40    41   0.27300  1.0 3.0
   67    73    40    42   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    40   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    40   0.15000  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.23400  1.0 3.0
   74    73    40    42   0.15000  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    41   0.23400  1.0 3.0
   75    73    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   70    55    67    68   0.00000  1.0 1.0
   70    55    67    69   0.00000  1.0 1.0
   70    55    67    73   0.09850  1.0 1.0
   70    55    67    73   0.15250 -1.0 2.0
   70    55    67    73  -0.50650  1.0 3.0
   56    52    55    67   0.46850  1.0 1.0
   56    52    55    67   0.08550 -1.0 2.0
   56    52    55    67   0.09800  1.0 3.0
   56    52    55    70   0.09850  1.0 1.0
   56    52    55    70   0.15250 -1.0 2.0
   56    52    55    70  -0.50650  1.0 3.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    62   0.00000  1.0 1.0
   56    54    63    64   0.00000  1.0 1.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    66   0.00000  1.0 1.0
   57    56   -54    50   0.15000  1.0 3.0
   57    56    54    59   0.15000  1.0 3.0
   57    56    54    63   0.15000  1.0 3.0
   58    56   -54    50   0.15000  1.0 3.0
   58    56    54    59   0.15000  1.0 3.0
   58    56    54    63   0.15000  1.0 3.0
   54    50   -52    53   0.15000  1.0 3.0
   54    50   -52    55   0.34400  1.0 1.0
   54    50   -52    55   0.09450 -1.0 2.0
   54    50   -52    55   0.11100  1.0 3.0
   54    50   -52    56   0.00000  1.0 1.0
   59    54    63    64   0.15000  1.0 3.0
   59    54    63    65   0.15000  1.0 3.0
   59    54    63    66   0.15000  1.0 3.0
   63    54    59    60   0.15000  1.0 3.0
   63    54    59    61   0.15000  1.0 3.0
   63    54    59    62   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    73   0.56750  1.0 1.0
   43    33    40    73  -0.07550 -1.0 2.0
   43    33    40    73   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   52    67    55    70   1.10000 -1.0 2.0
   71    72    70    55   1.10000 -1.0 2.0
END
