* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    133    202     392
    1     0 S   NP   _N1_     1    30.22321    99.13519   -24.08250
    2     1 S   H    _HN1     2     1.02755    66.80117   169.68024
    3     1 S   H    _H1_     3     1.03478   153.60731  -107.53812
    4     1 S   H    _H2_     4     1.02855    53.83002   -54.69529
    5     1 S   CT   _CA1     5     1.50081    93.91394    58.42752
    6     5 S   HC   _HA1     6     1.09549   104.88639   126.14833
    7     5 S   CO3  _C1_     7     1.53665   113.31714     5.52286
    8     7 S   O2Z  _O11     8     1.26390   115.09598   -33.32099
    9     7 S   O2Z  _O12     9     1.26243   115.02113   146.04227
   10     5 S   CT   _CB1    10     1.53020   107.43044  -115.43884
   11    10 S   HC   HB11    11     1.09554   109.44476   -40.06592
   12    10 S   HC   HB12    12     1.09837   110.41604    75.52211
   13    10 S   CT   _CG1    13     1.53244   112.99766  -162.66522
   14    13 S   HC   HG11    14     1.09550   110.88161   -95.79685
   15    13 S   HC   HG12    15     1.09604   111.61353    23.48061
   16    13 S   C    _CD1    16     1.51535   109.32812   144.22280
   17    16 S   O    _OE1    17     1.22813   121.83621    85.55144
   18    16 S   N    _N2_    18     1.38576   112.53354   -91.00511
   19    18 S   H    _HN2    19     1.01587   119.20883    -4.77167
   20    18 S   CT1  _CA2    20     1.46088   123.48944   173.39618
   21    20 S   HC   _HA2    21     1.09697   109.16753    -8.24919
   22    20 S   C    _C2_    22     1.53802   108.98215  -124.05957
   23    22 S   O    _O2_    23     1.23093   122.02649  -156.37493
   24    20 S   CT   _CB2    32     1.53280   111.91731   114.06861
   25    24 S   HC   HB21    33     1.09593   109.82941    57.55075
   26    24 S   HC   HB22    34     1.09483   110.04564   176.25164
   27    22 S   N    _N3_    24     1.38295   114.06537    30.51940
   28    27 S   H    _HN3    25     1.01440   119.10745    -2.31630
   29    24 S   S    _SG2    35     1.82433   112.32828   -63.49990
   30    27 S   CT   _CA3    26     1.45331   123.41991   177.97812
   31    30 S   HC   HA31    27     1.09551   107.17811   -71.18270
   32    30 S   HC   HA32    28     1.09555   108.26882    45.19223
   33    29 S   CT   _C16    36     1.84560    98.96331   178.78115
   34    33 S   HC   _H5_    37     1.09616   108.92550   -17.87649
   35    30 S   CO3  _C3_    29     1.53049   114.37812   167.32989
   36    35 S   O2Z  _O31    30     1.26436   116.33247    -5.42437
   37    35 S   O2Z  _O32    31     1.26407   114.44176   174.70572
   38    33 S   CM   _C11    38     1.52791   108.14954   100.64792
   39    38 S   CT   _C12    39     1.51566   114.06690    83.27146
   40    39 S   HC   _H16    40     1.09274   113.00148  -179.78511
   41    39 S   HC   _H17    41     1.09817   108.64254   -63.19099
   42    38 S   CM   _C10    53     1.34662   119.56605   -97.93573
   43    42 S   HC   _H15    54     1.08531   118.78606     1.75379
   44    39 S   CT1  _C13    42     1.52847   109.74552    57.82529
   45    44 S   HC   _H4_    43     1.09842   108.97473    65.86371
   46    42 S   CG   _C9_    55     1.47310   124.02357  -178.52302
   47    46 S   HC   _H14    56     1.09844   118.65240    13.92320
   48    44 S   NE   _N5_    44     1.45216   109.90570   -52.83755
   49    48 S   H    _H18    45     1.01805   118.16656  -162.18997
   50    44 S   CO3  _C17    50     1.53946   114.36565  -174.53284
   51    50 S   O2Z  _O39    51     1.26394   116.41023    -0.06853
   52    50 S   O2Z  _O38    52     1.26665   114.89887  -178.34838
   53    46 S   NIP  _N4_    57     1.28651   125.65703  -165.80173
   54    53 S   H    _H13    58     1.02759   116.32004   179.97202
   55    33 S   CM   _C14    46     1.51604   109.07952  -135.86017
   56    53 S   CT1  _C7_    59     1.49282   130.56972     1.10942
   57    56 S   HC   _H3_    60     1.09380   109.58101   -18.09525
   58    55 S   CMA  _C15    47     1.54074   120.96044    75.85948
   59    58 S   OM   _O36    48     1.26457   120.67494  -164.41044
   60    58 S   OM   _O37    49     1.26412   121.53665    16.27295
   61    56 S   CO3  _C8_    61     1.53704   106.04219  -136.58796
   62    61 S   O2Z  _O35    62     1.26385   115.65783   -65.83992
   63    61 S   O2Z  _O34    63     1.26326   114.67516   113.08701
   64    56 S   CTG  _C6_    64     1.53142   109.25849   103.95208
   65    64 S   HC   _H11    65     1.09855   108.87469   162.34864
   66    64 S   HC   _H12    66     1.09903   110.90107    46.23029
   67    64 S   CT   _C5_    67     1.52970   112.65412   -76.95451
   68    67 S   HC   _H9_    68     1.09472   110.70451   -60.07177
   69    67 S   HC   _H10    69     1.09369   111.12101    61.18385
   70    67 S   SZ   _S1_    70     1.82476   110.33649   179.93147
   71    70 S   OZ   _O33    71     1.50007   107.58072    68.67886
   72    70 S   CT   _C4_    72     1.80920    95.74431   179.02844
   73    72 S   HC   _H6_    73     1.09247   108.57934  -179.31586
   74    72 S   HC   _H7_    74     1.09241   109.64047    61.27944
   75    72 S   HC   _H8_    75     1.09145   109.80329   -59.85648
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  14  13   6   5   8   3   8   6   7   3   8
   3   3   1   1  10   4   3  11   7   2   1   1   6   2   1   8
   5   4   8   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    55    58    59    60    42    43    46  
   38    39    48    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    58    50    42    43    46    47    53  
   40    41    44    45    48    49    55    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    54    56    44    55  
   46    47    53  
   45    48    49    55    58    50    51    52  
   48    49    55    50    51    52  
   47    53    54    56    57    61    64  
   53    54    56  
   49    55    58    59    60    50    51    52  
   55    58    50  
   51    52    55  
   52  
    0  
   54    56    57    61    62    63    64    65    66    67  
   56    57    61    64  
   58    59    60  
   57    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   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   0.107500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   54   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.025000   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   3.5600   0.3950   0.170000   2.0080   1.7800   0.025682759  -1.666211680
   71   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.035000   1.9750   1.7500   0.005000000  -0.741685710
   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
   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    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   317.000  1.510
   33    55   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    55   425.000  1.378
   55    58   465.000  1.376
   58    59   745.000  1.250
   58    60   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    54   490.000  1.015
   53    56   280.000  1.462
   56    57   340.000  1.090
   56    61   317.000  1.522
   56    64   268.000  1.529
   61    62   656.000  1.250
   61    63   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.853
   70    71   700.000  1.530
   70    72   340.000  1.853
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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  112.20000
   29    33    55    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    75.00000  116.24600
   33    55    58    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    55    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    58    70.00000  124.03900
   55    33    34    35.00000  109.50000
   55    33    38    70.00000  110.12100
   55    48    49    35.00000  114.50000
   55    58    59    65.00000  137.10300
   55    58    60    65.00000  137.10300
   60    58    59    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    54    45.00000  118.89500
   46    53    56    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    57    50.00000  106.46400
   53    56    61    75.00000  110.00000
   53    56    64    75.00000  111.57000
   56    53    54    45.00000  117.21000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    58.35000  112.70000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   64    56    57    37.50000  110.70000
   64    56    61    63.00000  111.10000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    75.00000  107.60000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    74.00000  107.00000
   67    70    72    62.00000   96.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   72    70    71    74.00000  107.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.09700  1.0 1.0
   29    33    55    48   0.15600 -1.0 2.0
   29    33    55    48  -0.50800  1.0 3.0
   29    33    55    58   0.42700  1.0 1.0
   29    33    55    58  -0.70350 -1.0 2.0
   29    33    55    58  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    58    59   7.00000 -1.0 2.0
   33    55    58    60   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48  -0.18050  1.0 3.0
   34    33    55    58   0.00000  1.0 1.0
   38    33    55    48  -1.35150  1.0 1.0
   38    33    55    48   0.13900 -1.0 2.0
   38    33    55    48   0.25250  1.0 3.0
   38    33    55    58  -0.28300  1.0 1.0
   38    33    55    58   0.26700 -1.0 2.0
   38    33    55    58  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.25450  1.0 1.0
   39    44    48    55  -0.61700 -1.0 2.0
   39    44    48    55  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -55    33   1.00000 -1.0 2.0
   44    48    55    58  -0.54700  1.0 1.0
   44    48    55    58   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    55   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    55    58    59   7.00000 -1.0 2.0
   48    55    58    60   7.00000 -1.0 2.0
   49    48    55    33   2.40850 -1.0 2.0
   49    48    55    58   1.00000 -1.0 2.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    42  -0.28300  1.0 1.0
   55    33    38    42   0.26700 -1.0 2.0
   55    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55  -0.12500  1.0 1.0
   50    44    48    55  -0.12500 -1.0 2.0
   50    44    48    55   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    54   2.00000 -1.0 2.0
   42    46    53    56   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    57  -0.22200  1.0 3.0
   46    53    56    61   0.00000  1.0 1.0
   46    53    56    64   0.00000  1.0 1.0
   47    46    53    54   2.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   53    56    61    62   0.30150 -1.0 2.0
   53    56    61    63   0.30150 -1.0 2.0
   53    56    64    65   0.15000  1.0 3.0
   53    56    64    66   0.15000  1.0 3.0
   53    56    64    67   0.56750  1.0 1.0
   53    56    64    67  -0.07550 -1.0 2.0
   53    56    64    67   0.20000  1.0 3.0
   54    53    56    57   0.09500  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   54    53    56    64   0.00000  1.0 1.0
   56    64    67    68   0.15000  1.0 3.0
   56    64    67    69   0.15000  1.0 3.0
   56    64    67    70   0.56750  1.0 1.0
   56    64    67    70  -0.07550 -1.0 2.0
   56    64    67    70   0.20000  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    67   0.15000  1.0 3.0
   61    56    64    65  -0.03800  1.0 3.0
   61    56    64    66  -0.03800  1.0 3.0
   61    56    64    67   0.19200  1.0 1.0
   61    56    64    67  -0.38100 -1.0 2.0
   64    56    61    62   0.00000  1.0 1.0
   64    56    61    63   0.00000  1.0 1.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   0.53150  1.0 3.0
   67    70    72    74   0.53150  1.0 3.0
   67    70    72    75   0.53150  1.0 3.0
   68    67    70    71  -0.07200  1.0 3.0
   68    67    70    72   0.53150  1.0 3.0
   69    67    70    71  -0.07200  1.0 3.0
   69    67    70    72   0.53150  1.0 3.0
   71    70    72    73  -0.07200  1.0 3.0
   71    70    72    74  -0.07200  1.0 3.0
   71    70    72    75  -0.07200  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    55    48    44   1.00000 -1.0 2.0
   33    48    55    58   1.10000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    54    53    46   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
END
