* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    140    226     415
    1     0 S   NP   _N1_     1    29.73066    89.46187   -23.42324
    2     1 S   H    _HN1     2     1.02872    23.33967    64.85332
    3     1 S   H    _H1_     3     1.02791    84.38507  -112.71157
    4     1 S   H    _H2_     4     1.02944   116.72654    -5.10438
    5     1 S   CT   _CA1     5     1.50126   120.88373   134.73887
    6     5 S   HC   _HA1     6     1.09559   105.41575    35.80128
    7     5 S   CO3  _C1_     7     1.53909   111.85199   -84.70659
    8     7 S   O2Z  _O11     8     1.26374   115.07939   -55.87466
    9     7 S   O2Z  _O12     9     1.26210   114.83988   123.24927
   10     5 S   CT   _CB1    10     1.53035   107.51143   153.79450
   11    10 S   HC   HB11    11     1.09814   109.91703   -49.59081
   12    10 S   HC   HB12    12     1.09603   109.89630    66.83587
   13    10 S   CT   _CG1    13     1.53102   112.86552  -170.90951
   14    13 S   HC   HG11    14     1.09591   110.61510   -52.71818
   15    13 S   HC   HG12    15     1.09596   110.12288    66.64880
   16    13 S   C    _CD1    16     1.51742   111.80624  -172.55194
   17    16 S   O    _OE1    17     1.22744   123.16520    -5.10327
   18    16 S   N    _N2_    18     1.38577   112.14552   174.61420
   19    18 S   H    _HN2    19     1.01562   119.17595     6.41133
   20    18 S   CT1  _CA2    20     1.46233   123.09555  -173.17174
   21    20 S   HC   _HA2    21     1.09634   108.52265    14.56324
   22    20 S   C    _C2_    22     1.53625   110.49349  -101.39548
   23    22 S   O    _O2_    23     1.23142   121.85490  -151.43249
   24    20 S   CT   _CB2    32     1.53738   111.65189   135.75970
   25    24 S   HC   HB21    33     1.09665   109.37575    70.44650
   26    24 S   HC   HB22    34     1.09569   111.02959  -172.31053
   27    22 S   N    _N3_    24     1.38175   114.34379    35.92257
   28    27 S   H    _HN3    25     1.01517   119.80824    -2.74638
   29    24 S   S    _SG2    35     1.82695   114.39442   -48.34380
   30    27 S   CT   _CA3    26     1.45310   123.11255   177.09175
   31    30 S   HC   HA31    27     1.09552   107.49054   -64.75575
   32    30 S   HC   HA32    28     1.09559   107.99702    51.66867
   33    29 S   CT   _C16    36     1.85450   100.74946   -73.25907
   34    33 S   HC   _H5_    37     1.09492   107.60685    19.54786
   35    30 S   CO3  _C3_    29     1.52945   114.14845   173.68888
   36    35 S   O2Z  _O31    30     1.26366   116.08460    -0.77455
   37    35 S   O2Z  _O32    31     1.26435   114.40051   179.29668
   38    33 S   CM   _C12    38     1.52549   107.12229   137.47475
   39    38 S   CT   _C13    39     1.51414   114.17577    77.68437
   40    39 S   HC   _H10    40     1.09415   112.08178   169.33209
   41    39 S   HC   _H11    41     1.09742   108.87588   -73.57468
   42    38 S   CM   _C11    54     1.34718   119.74119  -103.46247
   43    42 S   HC   _H9_    55     1.08562   119.09446    -2.50819
   44    39 S   CT1  _C14    42     1.53300   111.04683    48.83803
   45    44 S   HC   _H3_    43     1.09850   109.32161    66.34126
   46    42 S   CG   _C10    56     1.48105   123.70493   172.91983
   47    46 S   HC   _H8_    57     1.09580   116.48725   -10.19596
   48    44 S   NT   _N5_    44     1.47248   111.46686   -55.65298
   49    48 S   H    _H12    45     1.02265   109.26689   179.88809
   50    44 S   CO3  _C18    51     1.54822   113.46079  -174.73337
   51    50 S   O2Z  _O40    52     1.26322   116.62621     8.31123
   52    50 S   O2Z  _O39    53     1.26722   114.59807  -170.67998
   53    46 S   NIP  _N4_    58     1.29087   124.33625   173.84878
   54    33 S   CT1  _C15    46     1.54079   110.13406   -99.20100
   55    54 S   HC   _H4_    47     1.09915   108.54899    44.50127
   56    53 S   CM   _C6_    59     1.40838   122.44893   170.27373
   57    54 S   CO3  _C17    48     1.55182   115.41274   160.96763
   58    57 S   O2Z  _O38    49     1.26696   114.65496  -172.90577
   59    57 S   O2Z  _O37    50     1.26230   116.41639     5.85371
   60    56 S   CM   _C5_    60     1.33680   111.98808  -161.02705
   61    60 S   CM   _C4_    61     1.42365   123.58308   177.07363
   62    61 S   HC   _H7_    62     1.08366   119.48660  -178.79131
   63    60 S   CT   _C20    70     1.49008   111.32063    -2.08018
   64    63 S   HC   _H13    71     1.09646   110.16003   110.93172
   65    63 S   HC   _H14    72     1.09511   112.26397  -128.55496
   66    61 S   CM   _C8_    63     1.33677   117.59210    -0.03426
   67    53 S   CT1  _C19    73     1.50837   129.83147     0.51889
   68    67 S   HC   _H6_    74     1.09394   108.96388    38.87107
   69    66 S   OS   _O34    64     1.42168   121.43384     2.01227
   70    66 S   CO3  _C9_    67     1.54044   122.32402  -178.37418
   71    70 S   O2Z  _O36    68     1.26484   115.08151  -165.54502
   72    70 S   O2Z  _O35    69     1.26479   115.91687    14.85361
   73    67 S   CO3  _C21    75     1.53585   108.04131   -82.22992
   74    73 S   O2Z  _O42    76     1.26314   116.17262   -71.01151
   75    73 S   O2Z  _O41    77     1.26356   114.43220   109.29706
   76    56 S   CO4  _C7_    65     1.48342   128.81655    20.15669
   77    76 S   O    _O33    66     1.22515   123.28233     5.82602
  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   9   5   4   3
  16   7   2   1   1  15  13   6   5   8   3   9   6   9   3   9
   4   3   1   1  14   4   3  13   2   1   1  13  11   4   9   4
   3   6   5   3   5   3   1   1   2   1   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    57    58    59    42    43    46  
   38    39    48    54    55    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    56    67    44    54  
   46    47    53  
   45    48    49    54    55    57    50    51    52  
   48    49    54    50    51    52  
   47    53    56    60    76    63    67    68    73  
   53    56    67  
   49    54    55    57    58    59    50    51    52  
   54    55    57    50  
   51    52    54  
   52  
    0  
   56    60    61    69    76    77    63    64    65    67    68    73    74    75  
   55    57    58    59  
   57    58    59  
   60    61    62    66    69    76    77    63    64    65    67    68    73  
   58    59  
   59  
    0  
   61    62    66    69    76    77    70    63    64    65    67    68    73  
   62    66    69    76    70    71    72    63    64    65    67  
   66    69    70    63  
   64    65    67    68    73    74    75    66    76  
   65    67    68    73  
   67    68    73  
   69    76    77    70    71    72  
   68    73    74    75    76  
   73    74    75  
   76    77    70    71    72  
   71    72    76  
   72  
    0  
   74    75  
   75  
    0  
   77  
    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   0.0300   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   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   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   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    54   268.000  1.529
   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   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  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    56   335.000  1.413
   53    67   280.000  1.462
   56    60   549.000  1.340
   56    76   320.000  1.462
   60    61   380.000  1.444
   60    63   317.000  1.510
   61    62   340.000  1.080
   61    66   549.000  1.340
   66    69   440.000  1.360
   66    70   230.000  1.545
   69    76   214.000  1.327
   76    77   570.000  1.229
   70    71   656.000  1.250
   70    72   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
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    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    57    63.00000  111.10000
   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  111.22000
   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    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    57    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    57    58    70.00000  117.00000
   54    57    59    70.00000  117.00000
   57    54    55    35.00000  109.50000
   59    57    58    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   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    56    70.00000  118.46000
   46    53    67    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    60    70.00000  113.56000
   53    56    76    70.00000  120.00000
   53    67    63    75.00000  111.57000
   53    67    68    50.00000  106.46400
   53    67    73    75.00000  110.00000
   56    60    61    70.00000  123.01800
   56    60    63    70.00000  124.00000
   56    76    69    90.00000  111.29400
   56    76    77    80.00000  123.72100
   60    61    62    35.00000  120.00000
   60    61    66    70.00000  123.01800
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    67    70.00000  112.02700
   61    66    69    80.00000  120.01400
   61    66    70    55.00000  124.75400
   66    61    62    35.00000  120.00000
   66    69    76    90.00000  114.22900
   66    70    71    85.00000  113.83300
   66    70    72    85.00000  113.83300
   69    76    77    83.00000  123.40000
   76    56    60    65.00000  118.96000
   70    66    69    80.00000  119.00000
   72    70    71    80.00000  126.00000
   63    60    61    70.00000  124.00000
   63    67    68    37.50000  110.70000
   63    67    73    63.00000  111.10000
   65    63    64    33.00000  107.80000
   67    53    56    70.00000  121.00000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    73    74    70.00000  117.00000
   67    73    75    70.00000  117.00000
   73    67    68    35.00000  109.50000
   75    73    74    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  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    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    57  -2.17200  1.0 1.0
   29    33    54    57  -0.85700 -1.0 2.0
   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    54    57    58   0.00000  1.0 1.0
   33    54    57    59   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    57  -0.98800  1.0 1.0
   38    33    54    57   0.48800 -1.0 2.0
   38    33    54    57   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  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  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  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   0.15000  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   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    57  -1.76800  1.0 1.0
   44    48    54    57   1.02600 -1.0 2.0
   44    48    54    57   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    57    58   0.30150 -1.0 2.0
   48    54    57    59   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    57   0.21900  1.0 1.0
   49    48    54    57  -0.24900 -1.0 2.0
   49    48    54    57   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  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    56   2.00000 -1.0 2.0
   42    46    53    67   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    60   5.00000 -1.0 2.0
   46    53    56    76   5.00000 -1.0 2.0
   46    53    67    63   0.00000  1.0 1.0
   46    53    67    68  -0.22200  1.0 3.0
   46    53    67    73   0.00000  1.0 1.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    67   2.00000 -1.0 2.0
   53    56    60    61   7.00000 -1.0 2.0
   53    56   -60    63   7.00000 -1.0 2.0
   53    56    76    69   1.50000 -1.0 2.0
   53    56    76    77  -0.52200  1.0 1.0
   53    56    76    77   0.82950 -1.0 2.0
   53    67    73    74   0.30150 -1.0 2.0
   53    67    73    75   0.30150 -1.0 2.0
   56    53   -67    63   0.00000  1.0 1.0
   56    53    67    68   0.00000  1.0 1.0
   56    53    67    73   0.00000  1.0 1.0
   56    60    61    62  -0.18600  1.0 3.0
   56    60    61    66   0.28850  1.0 1.0
   56    60    61    66   2.61350 -1.0 2.0
   56    60    61    66   0.78400  1.0 3.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    65   0.00000  1.0 1.0
   56    60   -63    67   0.09850  1.0 1.0
   56    60   -63    67   0.15250 -1.0 2.0
   56    60   -63    67  -0.50650  1.0 3.0
   60    56    76    69  -0.56150  1.0 1.0
   60    56    76    69   2.19150 -1.0 2.0
   60    56    76    77   1.00000 -1.0 2.0
   60    61   -66    69   7.00000 -1.0 2.0
   60    61    66    70   7.00000 -1.0 2.0
   60    63   -67    53   0.56750  1.0 1.0
   60    63   -67    53  -0.07550 -1.0 2.0
   60    63   -67    53   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    73  -0.98800  1.0 1.0
   60    63    67    73   0.48800 -1.0 2.0
   60    63    67    73   0.76800  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    67   0.98200  1.0 1.0
   61    60    63    67  -0.11900 -1.0 2.0
   61    60    63    67   0.24250  1.0 3.0
   61    66    69    76  -1.93650  1.0 1.0
   61    66    69    76   2.17750 -1.0 2.0
   61    66    69    76  -0.40250  1.0 3.0
   61    66    70    71  -0.04000 -1.0 2.0
   61    66    70    71  -0.29050  1.0 3.0
   61    66    70    72  -0.04000 -1.0 2.0
   61    66    70    72  -0.29050  1.0 3.0
   62    61    66    69   7.00000 -1.0 2.0
   62    61    66    70   7.00000 -1.0 2.0
   66    69   -76    56   2.00000 -1.0 2.0
   66    69    76    77   3.00000 -1.0 2.0
   69    66    70    71  -0.11900  1.0 1.0
   69    66    70    71   0.76850 -1.0 2.0
   69    66    70    71   0.14100  1.0 3.0
   69    66    70    72  -0.11900  1.0 1.0
   69    66    70    72   0.76850 -1.0 2.0
   69    66    70    72   0.14100  1.0 3.0
   76    56   -60    61   7.00000 -1.0 2.0
   76    56    60    63   7.00000 -1.0 2.0
   70    66    69    76   2.00000 -1.0 2.0
   63    60    61    62   0.00000  1.0 1.0
   63    60    61    66  -0.18600  1.0 3.0
   63    67    73    74   0.00000  1.0 1.0
   63    67    73    75   0.00000  1.0 1.0
   64    63    67    53   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    73  -0.03800  1.0 3.0
   65    63    67    53   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    73  -0.03800  1.0 3.0
   67    53   -56    60   5.00000 -1.0 2.0
   67    53    56    76   5.00000 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   58    54    57    59  10.50000 -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    67    53    46   1.00000 -1.0 2.0
   53    76    56    60   1.10000 -1.0 2.0
   61    63    60    56   1.10000 -1.0 2.0
   60    62    61    66   1.10000 -1.0 2.0
   70    69    66    61   1.10000 -1.0 2.0
   56    69    76    77  10.50000 -1.0 2.0
   71    66    70    72  10.50000 -1.0 2.0
   74    67    73    75  10.50000 -1.0 2.0
END
