* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     428
    1     0 S   NP   _N1_     1    28.35950    96.32438   -24.00372
    2     1 S   H    _HN1     2     1.02835    34.95818   171.95958
    3     1 S   H    _H1_     3     1.02775   112.06613   -98.09178
    4     1 S   H    _H2_     4     1.02958    72.95950     5.27165
    5     1 S   CT   _CA1     5     1.50148   131.30339   107.70103
    6     5 S   HC   _HA1     6     1.09576   105.18408    92.66412
    7     5 S   CO3  _C1_     7     1.53780   112.39656   -27.44837
    8     7 S   O2Z  _O11     8     1.26366   114.99244   -42.38561
    9     7 S   O2Z  _O12     9     1.26238   114.93713   136.62920
   10     5 S   CT   _CB1    10     1.53091   107.40657  -149.45114
   11    10 S   HC   HB11    11     1.09827   109.27054   -50.42435
   12    10 S   HC   HB12    12     1.09815   110.43907    66.11793
   13    10 S   CT   _CG1    13     1.53023   112.71202  -171.50823
   14    13 S   HC   HG11    14     1.09592   110.48139   -65.53199
   15    13 S   HC   HG12    15     1.09660   109.91051    53.67238
   16    13 S   C    _CD1    16     1.51854   112.32196   173.98647
   17    16 S   O    _OE1    17     1.22756   123.26499     0.87447
   18    16 S   N    _N2_    18     1.38582   111.71265  -179.01603
   19    18 S   H    _HN2    19     1.01555   119.00378     4.28587
   20    18 S   CT1  _CA2    20     1.45724   122.83467   177.55864
   21    20 S   HC   _HA2    21     1.09550   108.63957    23.26253
   22    20 S   C    _C2_    22     1.52805   107.51841   -93.00034
   23    22 S   O    _O2_    23     1.22951   123.03865   -29.99629
   24    20 S   CT   _CB2    32     1.53127   112.00586   147.11182
   25    24 S   HC   HB21    33     1.09636   110.26049    49.34303
   26    24 S   HC   HB22    34     1.09582   111.27775   167.15053
   27    22 S   N    _N3_    24     1.38618   112.38423   152.63117
   28    27 S   H    _HN3    25     1.01717   120.34155    -1.54002
   29    24 S   S    _SG2    35     1.82887   113.37467   -70.92586
   30    27 S   CT   _CA3    26     1.45320   122.50473   178.78035
   31    30 S   HC   HA31    27     1.09571   107.43638   -62.44608
   32    30 S   HC   HA32    28     1.09563   107.94468    53.83299
   33    29 S   CT   _C18    36     1.85594    99.03199   -64.21423
   34    33 S   HC   _H3_    37     1.08244   103.39855   -30.54154
   35    33 S   HC   _H4_    38     1.09132   104.55126    83.34968
   36    30 S   CO3  _C3_    29     1.52918   114.40756   175.67039
   37    36 S   O2Z  _O31    30     1.26316   116.16118    -7.82584
   38    36 S   O2Z  _O32    31     1.26451   114.37602   172.34973
   39    33 S   CT   _C15    39     1.56055   118.04856  -151.34328
   40    39 S   OM   _O16    40     1.32318   107.17005   -56.44067
   41    39 S   C3T  _C11    41     1.52441   109.05446    61.33736
   42    41 S   HC   _H29    42     1.07843   118.22027   -34.62862
   43    41 S   C3T  _C10    43     1.48496   110.63634   109.68741
   44    43 S   HC   _H28    44     1.07746   121.98784  -143.25321
   45    43 S   CT   _C14    45     1.50908   112.07889     4.34731
   46    41 S   O3T  _O19    74     1.43679   117.65784   174.30247
   47    45 S   CT   _C7_    46     1.55275   111.78702  -116.92336
   48    47 S   HC   _H25    47     1.09560   112.45219   -63.78250
   49    39 S   CT   _C13    65     1.65760   116.76701   177.93171
   50    45 S   OH   _O21    72     1.43025   106.57736   126.53404
   51    50 S   HO   _H40    73     0.97226   108.08728    51.10067
   52    47 S   CO4  _C4_    48     1.50769   109.70242    58.86055
   53    52 S   O    _O17    49     1.21990   126.53271   -90.22104
   54    49 S   CT   _C17    66     1.57795   110.17160   143.60158
   55    54 S   HC   _H34    67     1.09503   112.42576    54.30755
   56    54 S   HC   _H35    68     1.09654   111.27891   -67.41862
   57    54 S   HC   _H36    69     1.09693   111.43838   174.37266
   58    52 S   OS   _O18    50     1.37556   108.14490    87.54535
   59    58 S   CT   _C9_    51     1.43771   108.26863     3.31074
   60    59 S   HC   _H27    52     1.09537   107.39782   146.60063
   61    47 S   CT   _C8_    53     1.53842   115.73633   168.02187
   62    61 S   HC   _H26    54     1.10436   106.76077  -178.24375
   63    59 S   CT   _C12    63     1.54241   111.47578   -91.40732
   64    63 S   HC   _H30    64     1.09536   105.31229   175.56226
   65    61 S   CM   _C6_    55     1.51464   122.54865    62.60152
   66    63 S   OH   _O20    70     1.42266   110.74262   -73.03535
   67    66 S   HO   _H39    71     0.97176   108.19904   -50.64681
   68    65 S   CM   _C5_    56     1.34272   123.47403    26.02229
   69    68 S   HC   _H23    57     1.08546   121.39890   176.88278
   70    68 S   HC   _H24    58     1.08324   122.16113    -1.13729
   71    65 S   CT   _C16    59     1.50747   116.85944  -161.14028
   72    71 S   HC   _H31    60     1.09517   110.15362   -50.80056
   73    71 S   HC   _H32    61     1.09286   111.35246    69.67948
   74    71 S   HC   _H33    62     1.09559   112.16449  -170.14475
  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   7   5   4   3
  12   5   4   2   1   1  18   8  10   5  12   5  20   3  16   9
  15   5   1   8   3   7   3   2   1   8  10   6  12   4   4   2
   7   1   1   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    63    49    54    46  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    59    63    64    49    54    55    56    57    66    50    46  
   41    42    43    45    63    49    54    46  
   42    43    44    45    47    63    49    54    50    46  
   43    44    45    49    46  
   44    45    47    48    52    61    63    49    54    50    51    46  
   45    47    49    50    46  
   47    48    52    53    58    59    61    62    65    63    64    49    54    55    56    57    66    50    51    46  
   47    49    50  
   48    52    53    58    59    60    61    62    65    68    71    63    49    54    50    51  
   52    53    58    59    61    62    65    49    50  
   54    55    56    57    66    67    50    51    52    58    59    60    61    63    64  
   51    52    54    61    63  
    0  
   53    58    59    60    61    62    65    63  
   58    59    61  
   55    56    57    66    59    63    64  
   56    57    63  
   57    63  
   63  
   59    60    61    62    65    63    64    66  
   60    61    62    65    68    71    63    64    66    67  
   61    62    65    63    64    66  
   62    65    68    69    70    71    72    73    74    63    64    66  
   65    68    71    63  
   64    66    67    65  
   66    67  
   68    69    70    71    72    73    74  
   67  
    0  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   275.000  1.510
   39    49   268.000  1.529
   41    42   340.000  1.088
   41    43   260.000  1.509
   41    46   335.000  1.432
   43    44   340.000  1.088
   43    45   275.000  1.510
   43    46   335.000  1.432
   45    47   268.000  1.529
   45    49   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    61   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    65   317.000  1.510
   65    68   549.000  1.340
   65    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    64   340.000  1.090
   63    49   268.000  1.529
   63    66   320.000  1.410
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   66    67   553.000  0.945
   50    51   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    70.00000  112.37300
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    40.00000  115.04500
   39    41    43    60.00000  120.94000
   39    41    46    80.00000  116.47100
   39    49    45    58.35000  112.70000
   39    49    63    58.35000  112.70000
   39    49    54    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  117.20000
   41    43    45    60.00000  120.94000
   41    43    46    15.00000   60.43100
   41    46    43    15.00000   59.14900
   43    41    42    37.50000  117.20000
   43    45    47    70.00000  112.37300
   43    45    49    70.00000  112.37300
   43    45    50    50.00000  109.50000
   45    43    44    40.00000  115.04500
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    61    58.35000  112.70000
   45    49    63    58.35000  112.70000
   45    49    54    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    52    53    80.00000  120.40000
   47    52    58    81.00000  111.40000
   47    61    59    58.35000  112.70000
   47    61    62    37.50000  110.70000
   47    61    65    70.00000  112.02700
   52    47    48    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    65    70.00000  112.02700
   59    63    64    37.50000  110.70000
   59    63    49    58.35000  112.70000
   59    63    66    50.00000  109.50000
   61    47    48    37.50000  110.70000
   61    47    52    63.00000  111.10000
   61    59    60    37.50000  110.70000
   61    65    68    70.00000  124.00000
   61    65    71    65.00000  117.92700
   65    61    62    35.00000  109.50000
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    65    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    49    54    58.35000  112.70000
   63    66    67    55.00000  108.50000
   49    39    40    50.00000  109.50000
   49    39    41    70.00000  112.37300
   49    45    47    58.35000  112.70000
   49    63    64    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    49    50.00000  109.50000
   50    45    47    50.00000  109.50000
   50    45    49    50.00000  109.50000
   46    41    42    50.00000  114.27700
   46    41    43    15.00000   60.43100
   46    43    44    50.00000  114.27700
   46    43    45    80.00000  116.47100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.07850  1.0 1.0
   33    39    41    43  -0.03950 -1.0 2.0
   33    39    41    43   0.67350  1.0 3.0
   33    39    41    46   0.02550  1.0 1.0
   33    39    41    46  -0.02600 -1.0 2.0
   33    39    41    46   1.20400  1.0 3.0
   33    39    49    45   0.56750  1.0 1.0
   33    39    49    45  -0.07550 -1.0 2.0
   33    39    49    45   0.20000  1.0 3.0
   33    39    49    63   0.56750  1.0 1.0
   33    39    49    63  -0.07550 -1.0 2.0
   33    39    49    63   0.20000  1.0 3.0
   33    39    49    54   0.56750  1.0 1.0
   33    39    49    54  -0.07550 -1.0 2.0
   33    39    49    54   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    45   0.56750  1.0 1.0
   39    41   -43    45  -0.07550 -1.0 2.0
   39    41   -43    45   0.20000  1.0 3.0
   39    41   -43    46   0.02550  1.0 1.0
   39    41   -43    46  -0.02600 -1.0 2.0
   39    41   -43    46   1.20400  1.0 3.0
   39    41   -46    43   0.06250  1.0 1.0
   39    41   -46    43  -0.01100 -1.0 2.0
   39    41   -46    43   0.28050  1.0 3.0
   39    49    54    55   0.15000  1.0 3.0
   39    49    54    56   0.15000  1.0 3.0
   39    49    54    57   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43  -0.26800  1.0 1.0
   40    39    41    43   0.69150 -1.0 2.0
   40    39    41    43  -0.48750  1.0 3.0
   40    39    41    46   1.11900  1.0 1.0
   40    39    41    46  -1.16350 -1.0 2.0
   40    39    41    46  -0.34150  1.0 3.0
   40    39    49    45   0.62750  1.0 1.0
   40    39    49    45  -0.30950 -1.0 2.0
   40    39    49    45   0.27300  1.0 3.0
   40    39    49    63   0.62750  1.0 1.0
   40    39    49    63  -0.30950 -1.0 2.0
   40    39    49    63   0.27300  1.0 3.0
   40    39    49    54   0.62750  1.0 1.0
   40    39    49    54  -0.30950 -1.0 2.0
   40    39    49    54   0.27300  1.0 3.0
   41    39   -49    45   0.47050  1.0 1.0
   41    39   -49    45   0.03900 -1.0 2.0
   41    39   -49    45   0.20100  1.0 3.0
   41    39    49    63   0.47050  1.0 1.0
   41    39    49    63   0.03900 -1.0 2.0
   41    39    49    63   0.20100  1.0 3.0
   41    39    49    54   0.47050  1.0 1.0
   41    39    49    54   0.03900 -1.0 2.0
   41    39    49    54   0.20100  1.0 3.0
   41    43    45    47   0.07850  1.0 1.0
   41    43    45    47  -0.03950 -1.0 2.0
   41    43    45    47   0.67350  1.0 3.0
   41    43   -45    49   0.07850  1.0 1.0
   41    43   -45    49  -0.03950 -1.0 2.0
   41    43   -45    49   0.67350  1.0 3.0
   41    43    45    50   0.86500  1.0 1.0
   41    43    45    50  -0.17500 -1.0 2.0
   41    43    45    50   0.20800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41   -43    46   0.23400  1.0 3.0
   42    41   -46    43   0.36800  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   43    45    47    61   0.47050  1.0 1.0
   43    45    47    61   0.03900 -1.0 2.0
   43    45    47    61   0.20100  1.0 3.0
   43    45   -49    39   0.47050  1.0 1.0
   43    45   -49    39   0.03900 -1.0 2.0
   43    45   -49    39   0.20100  1.0 3.0
   43    45    49    63   0.47050  1.0 1.0
   43    45    49    63   0.03900 -1.0 2.0
   43    45    49    63   0.20100  1.0 3.0
   43    45    49    54   0.47050  1.0 1.0
   43    45    49    54   0.03900 -1.0 2.0
   43    45    49    54   0.20100  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43   -46    41   0.36800  1.0 3.0
   45    43   -46    41   0.06250  1.0 1.0
   45    43   -46    41  -0.01100 -1.0 2.0
   45    43   -46    41   0.28050  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    52    58   0.36750  1.0 3.0
   45    47    61    59   0.56750  1.0 1.0
   45    47    61    59  -0.07550 -1.0 2.0
   45    47    61    59   0.20000  1.0 3.0
   45    47    61    62   0.15000  1.0 3.0
   45    47    61    65   0.34400  1.0 1.0
   45    47    61    65   0.09450 -1.0 2.0
   45    47    61    65   0.11100  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    57   0.15000  1.0 3.0
   47    45    49    39   0.56750  1.0 1.0
   47    45    49    39  -0.07550 -1.0 2.0
   47    45    49    39   0.20000  1.0 3.0
   47    45    49    63   0.56750  1.0 1.0
   47    45    49    63  -0.07550 -1.0 2.0
   47    45    49    63   0.20000  1.0 3.0
   47    45    49    54   0.56750  1.0 1.0
   47    45    49    54  -0.07550 -1.0 2.0
   47    45    49    54   0.20000  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52   -58    59   1.63150  1.0 1.0
   47    52   -58    59   2.92000 -1.0 2.0
   47    61    65    68   0.09850  1.0 1.0
   47    61    65    68   0.15250 -1.0 2.0
   47    61    65    68  -0.50650  1.0 3.0
   47    61    65    71   0.46850  1.0 1.0
   47    61    65    71   0.08550 -1.0 2.0
   47    61    65    71   0.09800  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    61    59   0.15000  1.0 3.0
   48    47    61    62   0.15000  1.0 3.0
   48    47    61    65   0.15000  1.0 3.0
   52    47   -61    59  -0.95700  1.0 1.0
   52    47   -61    59  -0.18200 -1.0 2.0
   52    47   -61    59   0.29450  1.0 3.0
   52    47    61    62  -0.11250  1.0 3.0
   52    47    61    65  -0.98800  1.0 1.0
   52    47    61    65   0.48800 -1.0 2.0
   52    47    61    65   0.76800  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58   -59    61  -0.25900  1.0 1.0
   52    58   -59    61  -0.47000 -1.0 2.0
   52    58   -59    61   0.11750  1.0 3.0
   52    58    59    63  -0.25900  1.0 1.0
   52    58    59    63  -0.47000 -1.0 2.0
   52    58    59    63   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59   -61    47   0.62750  1.0 1.0
   58    59   -61    47  -0.30950 -1.0 2.0
   58    59   -61    47   0.27300  1.0 3.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    65   0.61850  1.0 1.0
   58    59    61    65  -0.22750 -1.0 2.0
   58    59    61    65   0.15300  1.0 3.0
   58    59    63    64   0.23400  1.0 3.0
   58    59    63    49   0.62750  1.0 1.0
   58    59    63    49  -0.30950 -1.0 2.0
   58    59    63    49   0.27300  1.0 3.0
   58    59    63    66   3.69350  1.0 1.0
   58    59    63    66  -1.82950 -1.0 2.0
   59    61    65    68   0.09850  1.0 1.0
   59    61    65    68   0.15250 -1.0 2.0
   59    61    65    68  -0.50650  1.0 3.0
   59    61    65    71   0.46850  1.0 1.0
   59    61    65    71   0.08550 -1.0 2.0
   59    61    65    71   0.09800  1.0 3.0
   59    63    49    39   0.56750  1.0 1.0
   59    63    49    39  -0.07550 -1.0 2.0
   59    63    49    39   0.20000  1.0 3.0
   59    63   -49    45   0.56750  1.0 1.0
   59    63   -49    45  -0.07550 -1.0 2.0
   59    63   -49    45   0.20000  1.0 3.0
   59    63    49    54   0.56750  1.0 1.0
   59    63    49    54  -0.07550 -1.0 2.0
   59    63    49    54   0.20000  1.0 3.0
   59    63    66    67  -0.11600  1.0 1.0
   59    63    66    67  -0.09450 -1.0 2.0
   59    63    66    67   0.21250  1.0 3.0
   60    59    61    47   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    49   0.15000  1.0 3.0
   60    59    63    66   0.23400  1.0 3.0
   61    47    52    53   0.30150 -1.0 2.0
   61    47   -52    58   0.36750  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    49   0.56750  1.0 1.0
   61    59    63    49  -0.07550 -1.0 2.0
   61    59    63    49   0.20000  1.0 3.0
   61    59    63    66   0.86500  1.0 1.0
   61    59    63    66  -0.17500 -1.0 2.0
   61    59    63    66   0.20800  1.0 3.0
   61    65    68    69   7.00000 -1.0 2.0
   61    65    68    70   7.00000 -1.0 2.0
   61    65    71    72   0.34800  1.0 3.0
   61    65    71    73   0.34800  1.0 3.0
   61    65    71    74   0.34800  1.0 3.0
   62    61    65    68   0.00000  1.0 1.0
   62    61    65    71   0.34800  1.0 3.0
   68    65    71    72   0.00000  1.0 1.0
   68    65    71    73   0.00000  1.0 1.0
   68    65    71    74   0.00000  1.0 1.0
   71    65    68    69   7.00000 -1.0 2.0
   71    65    68    70   7.00000 -1.0 2.0
   63    59   -61    47   0.56750  1.0 1.0
   63    59   -61    47  -0.07550 -1.0 2.0
   63    59   -61    47   0.20000  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    65   0.34400  1.0 1.0
   63    59    61    65   0.09450 -1.0 2.0
   63    59    61    65   0.11100  1.0 3.0
   63    49    54    55   0.15000  1.0 3.0
   63    49    54    56   0.15000  1.0 3.0
   63    49    54    57   0.15000  1.0 3.0
   64    63    49    39   0.15000  1.0 3.0
   64    63    49    45   0.15000  1.0 3.0
   64    63    49    54   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   49    39    41    42   0.15000  1.0 3.0
   49    39   -41    43   0.07850  1.0 1.0
   49    39   -41    43  -0.03950 -1.0 2.0
   49    39   -41    43   0.67350  1.0 3.0
   49    39    41    46   0.02550  1.0 1.0
   49    39    41    46  -0.02600 -1.0 2.0
   49    39    41    46   1.20400  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -0.95700  1.0 1.0
   49    45    47    52  -0.18200 -1.0 2.0
   49    45    47    52   0.29450  1.0 3.0
   49    45   -47    61   0.56750  1.0 1.0
   49    45   -47    61  -0.07550 -1.0 2.0
   49    45   -47    61   0.20000  1.0 3.0
   49    45    50    51  -0.11600  1.0 1.0
   49    45    50    51  -0.09450 -1.0 2.0
   49    45    50    51   0.21250  1.0 3.0
   49    63    66    67  -0.11600  1.0 1.0
   49    63    66    67  -0.09450 -1.0 2.0
   49    63    66    67   0.21250  1.0 3.0
   66    63    49    39   0.86500  1.0 1.0
   66    63    49    39  -0.17500 -1.0 2.0
   66    63    49    39   0.20800  1.0 3.0
   66    63    49    45   0.86500  1.0 1.0
   66    63    49    45  -0.17500 -1.0 2.0
   66    63    49    45   0.20800  1.0 3.0
   66    63    49    54   0.86500  1.0 1.0
   66    63    49    54  -0.17500 -1.0 2.0
   66    63    49    54   0.20800  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    52  -0.09450  1.0 1.0
   50    45    47    52  -1.12950 -1.0 2.0
   50    45    47    52   0.54000  1.0 3.0
   50    45    47    61   0.86500  1.0 1.0
   50    45    47    61  -0.17500 -1.0 2.0
   50    45    47    61   0.20800  1.0 3.0
   50    45    49    39   0.86500  1.0 1.0
   50    45    49    39  -0.17500 -1.0 2.0
   50    45    49    39   0.20800  1.0 3.0
   50    45    49    63   0.86500  1.0 1.0
   50    45    49    63  -0.17500 -1.0 2.0
   50    45    49    63   0.20800  1.0 3.0
   50    45    49    54   0.86500  1.0 1.0
   50    45    49    54  -0.17500 -1.0 2.0
   50    45    49    54   0.20800  1.0 3.0
   46    41   -43    44   0.23400  1.0 3.0
   46    41   -43    45   0.02550  1.0 1.0
   46    41   -43    45  -0.02600 -1.0 2.0
   46    41   -43    45   1.20400  1.0 3.0
   46    43    45    47   0.02550  1.0 1.0
   46    43    45    47  -0.02600 -1.0 2.0
   46    43    45    47   1.20400  1.0 3.0
   46    43   -45    49   0.02550  1.0 1.0
   46    43   -45    49  -0.02600 -1.0 2.0
   46    43   -45    49   1.20400  1.0 3.0
   46    43    45    50   3.69350  1.0 1.0
   46    43    45    50  -1.82950 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   47    58    52    53  10.50000 -1.0 2.0
   61    71    65    68  15.00000 -1.0 2.0
   69    70    68    65  15.00000 -1.0 2.0
END
