* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    135    200     389
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02018    97.16428    27.21011
    3     1 S   H    _H1_     3     1.02152    34.97435   139.78257
    4     1 S   H    _H2_     4     1.02117    82.21459   -80.77896
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C6_    36     1.86492    96.88761   161.85222
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.53254   107.86132   160.02059
   38    33 S   CT   _C19    72     1.54533   105.84034   -79.70293
   39    38 S   HC   _H15    73     1.08254   108.90976    62.62639
   40    38 S   HC   _H16    74     1.08256   108.92131   -57.39151
   41    38 S   HC   _H17    75     1.08335   108.93419  -177.40739
   42    37 S   CT   _C10    38     1.52650   118.38476  -103.02252
   43    42 S   HC   _H3_    39     1.12663   108.00288   131.40030
   44    37 S   CMA  _C8_    65     1.34875   123.11929    76.01432
   45    44 S   OM   _O33    66     1.26820   124.27460     1.32604
   46    42 S   CA   _C12    40     1.53048   112.54930  -113.16621
   47    42 S   CT   _C11    54     1.52841   113.34894    11.77011
   48    47 S   HC   _H10    55     1.09518   112.45708  -163.61267
   49    44 S   OS   _O34    67     1.42163   109.79935  -178.57880
   50    46 S   CA   _C13    41     1.39425   119.09650    32.77319
   51    50 S   HA   _H11    42     1.08686   120.61390    -0.12820
   52    47 S   CD   _C5_    56     1.50215   112.14445   -38.55634
   53    47 S   NO2  _N5_    62     1.47973   109.76153    80.04927
   54    53 S   ON   _O36    63     1.24030   117.51073  -148.97582
   55    53 S   ON   _O35    64     1.24103   117.26049    30.04009
   56    49 S   CT   _C9_    68     1.42653   115.88271  -179.97202
   57    56 S   HC   _H7_    69     1.09283   109.47272  -180.00000
   58    56 S   HC   _H8_    70     1.09275   109.56561    59.21753
   59    56 S   HC   _H9_    71     1.09265   109.01420   -60.43449
   60    50 S   CA   _C14    43     1.39522   119.99235   179.93147
   61    60 S   HA   _H12    44     1.08669   119.98229   180.00000
   62    33 S   NI   _N4_    57     1.47567   112.88600    33.48847
   63    52 S   CT   _C4_    58     1.50730   117.77666  -145.60786
   64    63 S   HC   _H4_    59     1.08476   109.14598    89.94604
   65    63 S   HC   _H5_    60     1.08591   109.14540   -30.21601
   66    63 S   HC   _H6_    61     1.08536   109.12304  -149.84350
   67    60 S   CA   _C15    45     1.39414   120.01184     0.00000
   68    67 S   HA   _H13    46     1.08648   119.93983  -180.00000
   69    67 S   CA   _C16    47     1.39521   120.00262    -0.01978
   70    69 S   HA   _H14    48     1.08727   119.42214  -180.00000
   71    46 S   CA   _C17    49     1.39553   120.90342  -147.30478
   72    71 S   CT   _C18    50     1.49312   120.97503     0.11535
   73    72 S   F    F1__    51     1.36465   113.55542   179.93439
   74    72 S   F    F2__    52     1.36533   113.51463   -59.93299
   75    72 S   F    F3__    53     1.36473   112.54436    59.98668
  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  10   5   4   3
  15   2   1   1  18   7   3   2   1  19   8   9   2  16  12   6
   4   8   4   8   4   1   1   3   2   1   1   6   3   4   3   2
   1   1   5   3   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    62    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    52    62    63    44    45    49    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    50    71    47    48    52    62    53    44    45    49    56    38    39    40    41  
   39    40    41    42    44    52    62  
   40    41    62  
   41    62  
   62  
   43    46    50    51    60    69    71    72    47    48    52    62    63    53    54    55    44    45    49  
   46    50    71    47    48    52    53    44  
   45    49    56    57    58    59    46    47    62  
   49    56  
   50    51    60    61    67    69    70    71    72    73    74    75    47    48    52    53  
   48    52    62    63    64    65    66    53    54    55    50    71  
   52    62    63    53    54    55  
   56    57    58    59  
   51    60    61    67    68    69    71    72  
   60    61    67    71  
   62    63    64    65    66    53    54    55  
   54    55    62    63  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    67    68    69    70    71  
   67    68    69  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73    74    75  
   71    72  
   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   0.387700   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   53   3.2500   0.1200   0.540000   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660  -0.143900   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    62   315.000  1.435
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   268.000  1.529
   46    50   469.000  1.400
   46    71   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   317.000  1.510
   72    73   367.000  1.332
   72    74   367.000  1.332
   72    75   367.000  1.332
   47    48   340.000  1.090
   47    52   270.000  1.508
   47    53   375.000  1.490
   52    62   500.000  1.261
   52    63   270.000  1.508
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   53    54   550.000  1.225
   53    55   550.000  1.225
   44    45   745.000  1.250
   44    49   440.000  1.360
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    62    75.00000  111.34000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    62    52    70.00000  113.48600
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  112.02700
   37    44    45    65.00000  137.10300
   37    44    49    80.00000  120.01400
   42    46    50    70.00000  120.00000
   42    46    71    70.00000  120.00000
   42    47    48    37.50000  110.70000
   42    47    52    70.00000  111.76100
   42    47    53    63.00000  111.10000
   46    42    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    60    63.00000  120.00000
   46    71    69    63.00000  120.00000
   46    71    72    70.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    67    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    69    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    46    50    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    50.00000  109.50000
   71    72    74    50.00000  109.50000
   71    72    75    50.00000  109.50000
   74    72    73    77.00000  109.10000
   75    72    73    77.00000  109.10000
   75    72    74    77.00000  109.10000
   47    42    43    37.50000  110.70000
   47    42    46    70.00000  112.17500
   47    52    62    65.00000  122.10100
   47    52    63    65.00000  114.98000
   47    53    54    80.00000  117.50000
   47    53    55    80.00000  117.50000
   52    47    48    45.00000  109.49600
   52    63    64    45.00000  109.49600
   52    63    65    45.00000  109.49600
   52    63    66    45.00000  109.49600
   62    33    37    75.00000  110.00000
   63    52    62    65.00000  122.10100
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   53    47    48    35.00000  105.00000
   53    47    52    75.00000  107.83000
   55    53    54    80.00000  125.30000
   44    37    42    70.00000  124.00000
   44    49    56    90.00000  111.18400
   49    44    45    65.00000  121.00000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    62    80.00000  110.18800
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    62    52  -0.12500  1.0 1.0
   29    33    62    52  -0.12500 -1.0 2.0
   29    33    62    52   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.46850  1.0 1.0
   33    37    42    47   0.08550 -1.0 2.0
   33    37    42    47   0.09800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    49   7.00000 -1.0 2.0
   37    33    62    52  -0.12500  1.0 1.0
   37    33    62    52  -0.12500 -1.0 2.0
   37    33    62    52   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    50   0.18050 -1.0 2.0
   37    42    46    71   0.18050 -1.0 2.0
   37    42    47    48   0.15000  1.0 3.0
   37    42   -47    52   0.31000  1.0 1.0
   37    42   -47    52   0.14700 -1.0 2.0
   37    42   -47    52   0.07550  1.0 3.0
   37    42    47    53   0.56750  1.0 1.0
   37    42    47    53  -0.07550 -1.0 2.0
   37    42    47    53   0.20000  1.0 3.0
   37    44    49    56  -2.26850  1.0 1.0
   37    44    49    56   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    49   7.00000 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46    50    60   3.62500 -1.0 2.0
   42    46    71    69   3.62500 -1.0 2.0
   42    46    71    72   3.62500 -1.0 2.0
   42    47    52    62   0.00000  1.0 1.0
   42    47    52    63   0.46850  1.0 1.0
   42    47    52    63   0.08550 -1.0 2.0
   42    47    52    63   0.09800  1.0 3.0
   42    47    53    54   0.03200 -1.0 2.0
   42    47    53    55   0.03200 -1.0 2.0
   43    42    46    50   0.00000  1.0 1.0
   43    42    46    71   0.00000  1.0 1.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    52   0.15000  1.0 3.0
   43    42    47    53   0.15000  1.0 3.0
   46    42    47    48   0.43200  1.0 3.0
   46    42    47    52   0.21200  1.0 1.0
   46    42    47    52   0.16900 -1.0 2.0
   46    42    47    52  -1.15100  1.0 3.0
   46    42    47    53   0.56750  1.0 1.0
   46    42    47    53  -0.07550 -1.0 2.0
   46    42    47    53   0.20000  1.0 3.0
   46    50    60    61   3.62500 -1.0 2.0
   46    50    60    67   3.62500 -1.0 2.0
   46    71    72    73   0.00000  1.0 1.0
   46    71    72    74   0.00000  1.0 1.0
   46    71    72    75   0.00000  1.0 1.0
   50    46    71    69   3.62500 -1.0 2.0
   50    46    71    72   3.62500 -1.0 2.0
   50    60    67    68   3.62500 -1.0 2.0
   50    60   -67    69   3.62500 -1.0 2.0
   51    50    60    61   3.62500 -1.0 2.0
   51    50    60    67   3.62500 -1.0 2.0
   60    67    69    70   3.62500 -1.0 2.0
   60    67    69    71   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    69   3.62500 -1.0 2.0
   67    69   -71    46   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75   0.00000  1.0 1.0
   70    69    71    46   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    46    50    51   3.62500 -1.0 2.0
   71    46   -50    60   3.62500 -1.0 2.0
   47    42    46    50   0.04150 -1.0 2.0
   47    42    46    71   0.04150 -1.0 2.0
   47    52   -62    33   6.00000 -1.0 2.0
   47    52    63    64   0.00000  1.0 1.0
   47    52    63    65   0.00000  1.0 1.0
   47    52    63    66   0.00000  1.0 1.0
   48    47    52    62   0.00000  1.0 1.0
   48    47    52    63   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   52    47    53    54   0.50000 -1.0 2.0
   52    47    53    55   0.50000 -1.0 2.0
   62    33   -37    42   0.09700  1.0 1.0
   62    33   -37    42   0.15600 -1.0 2.0
   62    33   -37    42  -0.50800  1.0 3.0
   62    33    37    44   0.09700  1.0 1.0
   62    33    37    44   0.15600 -1.0 2.0
   62    33    37    44  -0.50800  1.0 3.0
   62    33    38    39   0.15000  1.0 3.0
   62    33    38    40   0.15000  1.0 3.0
   62    33    38    41   0.15000  1.0 3.0
   62    52    63    64   0.00000  1.0 1.0
   62    52    63    65   0.00000  1.0 1.0
   62    52    63    66   0.00000  1.0 1.0
   63    52    62    33   6.00000 -1.0 2.0
   53    47    52    62   0.00000  1.0 1.0
   53    47    52    63   0.00000  1.0 1.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47   0.09850  1.0 1.0
   44    37    42    47   0.15250 -1.0 2.0
   44    37    42    47  -0.50650  1.0 3.0
   44    49    56    57   0.08050  1.0 3.0
   44    49    56    58   0.08050  1.0 3.0
   44    49    56    59   0.08050  1.0 3.0
   45    44    49    56   2.00000 -1.0 2.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    62    52  -0.12500  1.0 1.0
   38    33    62    52  -0.12500 -1.0 2.0
   38    33    62    52   0.25000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   50    71    46    42   4.00000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   67    61    60    50   1.10000 -1.0 2.0
   69    68    67    60   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    46   4.00000 -1.0 2.0
   47    63    52    62  10.50000 -1.0 2.0
   54    47    53    55  10.50000 -1.0 2.0
   45    49    44    37   1.10000 -1.0 2.0
END
