* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    208     389
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085   104.64735   -33.50024
    3     1 S   H    _H1_     3     1.02113    67.90583    70.99756
    4     1 S   H    _H2_     4     1.02140    45.00413  -135.46503
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C4_    36     1.81066    98.50743   -78.13273
   34    33 S   HC   _H7_    37     1.09195   109.08032   -59.21037
   35    33 S   HC   _H8_    38     1.09145   109.08772    59.14691
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C5_    39     1.52435   110.31989   180.00000
   40    39 S   HC   _H3_    40     1.09705   108.18231   -37.93553
   41    39 S   CT   _C6_    41     1.53811   112.38485  -159.63664
   42    41 S   HC   _H4_    42     1.09620   109.27115    63.27975
   43    41 S   CT   _C7_    43     1.54121   110.53049  -174.90023
   44    41 S   OS   _O37    68     1.42716   109.09878   -53.22184
   45    43 S   CT   _C8_    44     1.54187   112.05579    49.39265
   46    45 S   HC   _H5_    45     1.09620   110.26583  -170.22197
   47    43 S   OH   _O35    64     1.43579   106.68672   -68.86286
   48    47 S   HO   _H14    65     0.96733   105.94459  -179.23664
   49    43 S   OH   _O36    66     1.42466   110.96022   173.64097
   50    49 S   HO   _H15    67     0.97076   106.55140   174.94615
   51    44 S   PR   _P1_    69     1.61904   116.06393   159.98233
   52    51 S   OM   _O38    70     1.46059    97.75136   150.05769
   53    45 S   CO   _C9_    46     1.54116   110.75968   -47.91063
   54    53 S   HC   _H6_    47     1.09710   109.25580   -66.09665
   55    51 S   OH   _O39    71     1.61825    98.18313  -110.80558
   56    55 S   HO   _H16    72     0.98098   110.43858   -99.01350
   57    53 S   NE   _N4_    48     1.45578   111.81803   175.87170
   58    57 S   H    _H9_    49     1.01631   116.41363   148.19384
   59    39 S   OS   _O33    63     1.43361   107.26936    78.86293
   60    57 S   CM   _C10    50     1.37351   124.18458   -43.16760
   61    60 S   CM   _C13    51     1.50203   116.27770    11.24120
   62    61 S   C    _C12    52     1.49219   120.01541  -174.05825
   63    62 S   O    _O34    53     1.21390   123.75094   174.77239
   64    45 S   NE   _N7_    61     1.47851   110.05571    73.83859
   65    64 S   H    _H11    62     1.02131   125.36691    29.39107
   66    62 S   N    _N6_    54     1.42511   112.86574    -6.25937
   67    66 S   H    _H10    55     1.01654   119.84486  -177.38102
   68    66 S   CDX  _C11    56     1.33937   122.90129     2.66917
   69    60 S   NI   _N5_    57     1.29841   125.63162  -169.01321
   70    68 S   NE   _N8_    58     1.33206   117.96199  -179.15327
   71    70 S   H    _H12    59     1.01279   120.24834  -179.49642
   72    70 S   H    _H13    60     1.01311   120.23679     0.60036
  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
  10   5   4   2   1   1  13   6  15   7  15   8  15   9   5   1
   3   1   3   2   9   5   1   1   8   4   2   9   8   8   4   3
   1   6   3   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    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    59  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53    59    44  
   35    39    40    41    59  
   39    40    41    59  
   37    38  
   38  
    0  
   40    41    42    43    45    53    54    57    59    47    49    44    51  
   41    42    43    53    59    44  
   42    43    45    46    53    64    59    47    48    49    50    44    51    52    55  
   43    45    59    47    49    44    51  
   45    46    53    54    57    61    64    65    59    47    48    49    50    44    51  
   51    52    55    56    45    47    49    59  
   46    53    54    57    58    60    61    62    64    65    59    47    48    49    50  
   53    54    57    61    64    65    59    47    49  
   48    49    50    53    64  
   49  
   50    53    64  
    0  
   52    55    56  
   55    56  
   54    57    58    60    61    69    64    65    59  
   57    58    60    64    59  
   56  
    0  
   58    60    61    62    68    69    64    59  
   60    61    69    59  
   60    64  
   61    62    63    66    68    69    70    64    65  
   62    63    66    67    68    69    64    65  
   63    66    67    68    69    70    64    65  
   66    67    68    64  
   65    66    69  
    0  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   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   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -0.712500   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   53   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.930500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   69   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   70   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   39    41   268.000  1.529
   39    59   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    45   268.000  1.529
   43    47   320.000  1.410
   43    49   320.000  1.410
   45    46   340.000  1.090
   45    53   250.000  1.527
   45    64   382.000  1.448
   53    54   340.000  1.090
   53    57   320.000  1.442
   53    59   320.000  1.380
   57    58   434.000  1.010
   57    60   425.000  1.378
   60    61   549.000  1.340
   60    69   405.000  1.380
   61    62   410.000  1.444
   61    64   425.000  1.378
   62    63   570.000  1.229
   62    66   490.000  1.335
   66    67   434.000  1.010
   66    68   400.000  1.380
   68    69   650.000  1.285
   68    70   445.000  1.380
   70    71   434.000  1.010
   70    72   434.000  1.010
   64    65   434.000  1.010
   47    48   553.000  0.945
   49    50   553.000  0.945
   44    51   325.000  1.672
   51    52   325.000  1.672
   51    55   325.000  1.672
   55    56   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    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    59    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    44    50.00000  109.50000
   39    59    53    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    47    50.00000  109.50000
   41    43    49    50.00000  109.50000
   41    44    51   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    53    75.00000  109.43000
   43    45    64    80.00000  111.61500
   43    47    48    55.00000  108.50000
   43    49    50    55.00000  108.50000
   45    53    54    45.00000  112.01100
   45    53    57    85.00000  109.98000
   45    53    59    90.00000  108.56700
   45    64    61    50.00000  121.00000
   45    64    65    35.00000  112.50000
   53    45    46    45.00000  108.72000
   53    57    58    50.00000  113.12000
   53    57    60    50.00000  121.00000
   57    53    54    50.00000  108.16000
   57    60    61    70.00000  124.03900
   57    60    69    85.00000  113.56000
   60    57    58    35.00000  114.50000
   60    61    62    70.00000  118.70000
   60    61    64    70.00000  124.03900
   60    69    68    70.00000  116.49400
   61    62    63    80.00000  125.30000
   61    62    66    80.00000  111.56200
   61    64    65    35.00000  114.50000
   62    66    67    35.00000  119.80000
   62    66    68    70.00000  120.51600
   66    62    63    80.00000  122.90000
   66    68    69    80.00000  119.04400
   66    68    70    85.00000  111.44000
   68    66    67    45.00000  120.05200
   68    70    71    35.00000  119.50000
   68    70    72    35.00000  119.50000
   69    60    61    70.00000  120.83400
   70    68    69    75.00000  124.36500
   72    70    71    35.00000  109.00000
   64    45    46    35.00000  109.50000
   64    45    53    80.00000  111.61500
   64    61    62    70.00000  117.92000
   59    39    40    35.00000  109.50000
   59    39    41    50.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    57    95.00000  112.71300
   47    43    45    50.00000  109.50000
   49    43    45    50.00000  109.50000
   49    43    47   115.00000  113.08500
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
   44    51    52    45.00000  102.60000
   44    51    55    45.00000  102.60000
   51    55    56    45.00000  108.50000
   55    51    52    35.00000   94.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.15000  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    59   0.56750  1.0 1.0
   29    33    39    59  -0.07550 -1.0 2.0
   29    33    39    59   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    44   0.62750  1.0 1.0
   33    39    41    44  -0.30950 -1.0 2.0
   33    39    41    44   0.27300  1.0 3.0
   33    39    59    53   0.06250  1.0 1.0
   33    39    59    53  -0.01100 -1.0 2.0
   33    39    59    53   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    59   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    59   0.23400  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    47   0.86500  1.0 1.0
   39    41    43    47  -0.17500 -1.0 2.0
   39    41    43    47   0.20800  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    44    51  -2.65550  1.0 1.0
   39    41    44    51  -0.22350 -1.0 2.0
   39    41    44    51   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.23400  1.0 3.0
   40    39    59    53   0.37050  1.0 3.0
   41    39    59    53   0.06250  1.0 1.0
   41    39    59    53  -0.01100 -1.0 2.0
   41    39    59    53   0.28050  1.0 3.0
   41    43    45    46   0.15000  1.0 3.0
   41    43   -45    53   3.97050  1.0 1.0
   41    43    45    64   1.26750  1.0 1.0
   41    43    45    64  -0.00950 -1.0 2.0
   41    43    45    64   0.30600  1.0 3.0
   41    43    47    48  -0.11600  1.0 1.0
   41    43    47    48  -0.09450 -1.0 2.0
   41    43    47    48   0.21250  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    44    51    52   0.05050  1.0 1.0
   41    44    51    52  -1.30700 -1.0 2.0
   41    44    51    52   0.91550  1.0 3.0
   41    44    51    55   0.05050  1.0 1.0
   41    44    51    55  -1.30700 -1.0 2.0
   41    44    51    55   0.91550  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.23400  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    44    51   0.03000  1.0 3.0
   43    41    44    51  -2.65550  1.0 1.0
   43    41    44    51  -0.22350 -1.0 2.0
   43    41    44    51   0.24150  1.0 3.0
   43    45    53    54   0.15000  1.0 3.0
   43    45    53    57   1.26750  1.0 1.0
   43    45    53    57  -0.00950 -1.0 2.0
   43    45    53    57   0.30600  1.0 3.0
   43    45    53    59   0.62750  1.0 1.0
   43    45    53    59  -0.30950 -1.0 2.0
   43    45    53    59   0.27300  1.0 3.0
   43    45    64    61   0.25450  1.0 1.0
   43    45    64    61  -0.61700 -1.0 2.0
   43    45    64    61  -0.23550  1.0 3.0
   43    45    64    65   0.00000  1.0 1.0
   45    43    47    48  -0.11600  1.0 1.0
   45    43    47    48  -0.09450 -1.0 2.0
   45    43    47    48   0.21250  1.0 3.0
   45    43    49    50  -0.11600  1.0 1.0
   45    43    49    50  -0.09450 -1.0 2.0
   45    43    49    50   0.21250  1.0 3.0
   45    53    57    58   0.00000  1.0 1.0
   45    53    57    60   0.25450  1.0 1.0
   45    53    57    60  -0.61700 -1.0 2.0
   45    53    57    60  -0.23550  1.0 3.0
   45    53   -59    39   0.06250  1.0 1.0
   45    53   -59    39  -0.01100 -1.0 2.0
   45    53   -59    39   0.28050  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    57   0.22950  1.0 3.0
   46    45    53    59   0.23400  1.0 3.0
   46    45    64    61   0.00000  1.0 1.0
   46    45    64    65   0.00000  1.0 1.0
   53    45    64    61   0.25450  1.0 1.0
   53    45    64    61  -0.61700 -1.0 2.0
   53    45    64    61  -0.23550  1.0 3.0
   53    45    64    65   0.00000  1.0 1.0
   53    57   -60    61  -0.54700  1.0 1.0
   53    57   -60    61   1.23000 -1.0 2.0
   53    57    60    69   1.00000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    59    39   0.37050  1.0 3.0
   57    53    59    39  -0.25000  1.0 1.0
   57    53    59    39  -0.75000 -1.0 2.0
   57    53    59    39   0.50000  1.0 3.0
   57    60    61    62   7.00000 -1.0 2.0
   57    60    61    64   7.00000 -1.0 2.0
   57    60    69    68   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    57    60    69   1.00000 -1.0 2.0
   60    61    62    63   1.00000 -1.0 2.0
   60    61    62    66   0.49500  1.0 1.0
   60    61    62    66   1.31600 -1.0 2.0
   60    61    62    66  -0.02300  1.0 3.0
   60    61   -64    45  -0.54700  1.0 1.0
   60    61   -64    45   1.23000 -1.0 2.0
   60    61    64    65   1.00000 -1.0 2.0
   61    60    69    68   1.00000 -1.0 2.0
   61    62    66    67   2.56700 -1.0 2.0
   61    62   -66    68   2.45000 -1.0 2.0
   62    61    64    45   1.00000 -1.0 2.0
   62    61    64    65   1.00000 -1.0 2.0
   62    66    68    69  -0.56400  1.0 1.0
   62    66    68    69   0.77500 -1.0 2.0
   62    66    68    69   0.18700  1.0 3.0
   62    66    68    70  -0.56400  1.0 1.0
   62    66    68    70   0.77500 -1.0 2.0
   62    66    68    70   0.18700  1.0 3.0
   63    62    66    67   2.45000 -1.0 2.0
   63    62    66    68   2.67200 -1.0 2.0
   66    68   -69    60   6.00000 -1.0 2.0
   66    68    70    71   1.00000 -1.0 2.0
   66    68    70    72   1.00000 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    70   1.00000 -1.0 2.0
   69    60   -61    62   7.00000 -1.0 2.0
   69    60    61    64   7.00000 -1.0 2.0
   69    68    70    71   1.50000 -1.0 2.0
   69    68    70    72   1.50000 -1.0 2.0
   70    68    69    60   6.00000 -1.0 2.0
   64    45    53    54   0.22950  1.0 3.0
   64    45   -53    57   2.20050  1.0 1.0
   64    45   -53    57   0.63450 -1.0 2.0
   64    45   -53    57  -0.91300  1.0 3.0
   64    45    53    59   2.03850  1.0 1.0
   64    45    53    59  -0.40600 -1.0 2.0
   64    61    62    63  -0.52200  1.0 1.0
   64    61    62    63   0.82950 -1.0 2.0
   64    61    62    66   1.50000 -1.0 2.0
   59    39    41    42   0.23400  1.0 3.0
   59    39   -41    43   0.62750  1.0 1.0
   59    39   -41    43  -0.30950 -1.0 2.0
   59    39   -41    43   0.27300  1.0 3.0
   59    39    41    44   1.11900  1.0 1.0
   59    39    41    44  -1.16350 -1.0 2.0
   59    39    41    44  -0.34150  1.0 3.0
   59    53    57    58  -1.49000  1.0 1.0
   59    53    57    58  -2.58450 -1.0 2.0
   59    53    57    60   0.75000  1.0 1.0
   59    53    57    60  -0.75000 -1.0 2.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    53   0.86500  1.0 1.0
   47    43    45    53  -0.17500 -1.0 2.0
   47    43    45    53   0.20800  1.0 3.0
   47    43    45    64   4.07950  1.0 1.0
   47    43    45    64  -0.26450 -1.0 2.0
   47    43    45    64  -0.12150  1.0 3.0
   47    43    49    50   0.13450  1.0 1.0
   47    43    49    50  -0.58300 -1.0 2.0
   47    43    49    50   0.14300  1.0 3.0
   49    43    45    46   0.23400  1.0 3.0
   49    43    45    53   0.86500  1.0 1.0
   49    43    45    53  -0.17500 -1.0 2.0
   49    43    45    53   0.20800  1.0 3.0
   49    43    45    64   4.07950  1.0 1.0
   49    43    45    64  -0.26450 -1.0 2.0
   49    43    45    64  -0.12150  1.0 3.0
   49    43    47    48   0.13450  1.0 1.0
   49    43    47    48  -0.58300 -1.0 2.0
   49    43    47    48   0.14300  1.0 3.0
   44    41    43    45   0.62750  1.0 1.0
   44    41    43    45  -0.30950 -1.0 2.0
   44    41    43    45   0.27300  1.0 3.0
   44    41    43    47   3.69350  1.0 1.0
   44    41    43    47  -1.82950 -1.0 2.0
   44    41    43    49   3.69350  1.0 1.0
   44    41    43    49  -1.82950 -1.0 2.0
   44    51    55    56   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   58    60    57    53   1.00000 -1.0 2.0
   57    69    60    61   1.10000 -1.0 2.0
   62    64    61    60   1.10000 -1.0 2.0
   61    66    62    63  10.50000 -1.0 2.0
   67    62    66    68   1.00000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   72    68    70    71   1.00000 -1.0 2.0
   65    61    64    45   1.00000 -1.0 2.0
END
