* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    137    212     410
    1     0 S   NP   _N1_     1    29.45784    99.83255   -19.88044
    2     1 S   H    _HN1     2     1.02814    92.95418  -113.25243
    3     1 S   H    _H1_     3     1.02950    53.42644    -2.67847
    4     1 S   H    _H2_     4     1.02847    63.57577   138.40334
    5     1 S   CT   _CA1     5     1.49989   154.40762    55.18196
    6     5 S   HC   _HA1     6     1.09541   105.44537   131.60312
    7     5 S   CO3  _C1_     7     1.53671   112.49822    10.63876
    8     7 S   O2Z  _O11     8     1.26435   115.37188   -45.73534
    9     7 S   O2Z  _O12     9     1.26250   115.34045   135.17221
   10     5 S   CT   _CB1    10     1.53180   107.56921  -109.86330
   11    10 S   HC   HB11    11     1.09823   109.91285   -46.74680
   12    10 S   HC   HB12    12     1.09823   110.14917    69.88056
   13    10 S   CT   _CG1    13     1.53054   112.53989  -167.59000
   14    13 S   HC   HG11    14     1.09350   110.86662   -55.07411
   15    13 S   HC   HG12    15     1.09643   109.81534    64.05456
   16    13 S   C    _CD1    16     1.51650   112.26036  -175.12926
   17    16 S   O    _OE1    17     1.22747   123.18676     1.33031
   18    16 S   N    _N2_    18     1.38680   111.77305  -178.66441
   19    18 S   H    _HN2    19     1.01649   119.33710     2.74695
   20    18 S   CT1  _CA2    20     1.46044   123.06555   178.60914
   21    20 S   HC   _HA2    21     1.09738   108.98221     9.81738
   22    20 S   C    _C2_    22     1.53767   109.98649  -105.85850
   23    22 S   O    _O2_    23     1.23128   121.93506  -157.08826
   24    20 S   CT   _CB2    32     1.53295   111.78509   131.33329
   25    24 S   HC   HB21    33     1.09370   110.37781    62.00547
   26    24 S   HC   HB22    34     1.09570   109.80231   179.17149
   27    22 S   N    _N3_    24     1.38209   114.30395    30.14484
   28    27 S   H    _HN3    25     1.01515   119.61700    -3.85813
   29    24 S   S    _SG2    35     1.83120   112.46368   -62.66343
   30    27 S   CT   _CA3    26     1.45268   123.25461   177.26820
   31    30 S   HC   HA31    27     1.09548   107.58033   -63.46752
   32    30 S   HC   HA32    28     1.09558   107.92988    52.98584
   33    29 S   CT   _C8_    36     1.84698   100.57623   107.58816
   34    33 S   HC   _H5_    37     1.09291   106.22546   -55.20734
   35    30 S   CO3  _C3_    29     1.52958   114.04329   174.96300
   36    35 S   O2Z  _O31    30     1.26385   116.07281     0.92493
   37    35 S   O2Z  _O32    31     1.26430   114.41271  -179.04468
   38    33 S   CM   _C9_    38     1.49580   109.86703    66.66969
   39    38 S   OS   _O36    39     1.38198   117.03033    64.87265
   40    38 S   CMA  _C10    76     1.51649   124.01111  -118.64538
   41    40 S   OM   _O34    77     1.26262   121.01613   160.58409
   42    40 S   OM   _O35    78     1.26340   120.81750   -19.76006
   43    39 S   CT   _C11    40     1.43908   111.23345    61.28850
   44    43 S   HC   _H6_    41     1.09987   107.90453    63.01635
   45    43 S   CT   _C6_    42     1.55168   111.55684   -56.79609
   46    45 S   HC   _H3_    43     1.09652   110.22326   -66.38749
   47    43 S   CT   _C12    63     1.55048   107.82062   179.48111
   48    47 S   HC   _H7_    64     1.09718   108.25886  -177.18103
   49    33 S   CT   _C7_    44     1.53919   112.19401  -174.30970
   50    49 S   HC   _H4_    45     1.09953   109.24971   173.07357
   51    45 S   N    _N4_    55     1.46626   110.62398   174.78327
   52    51 S   H    _H12    56     1.01581   117.81147   -34.00444
   53    47 S   CT   _C13    65     1.53988   112.55898   -56.48832
   54    53 S   HC   _H8_    66     1.09641   110.76056    58.47806
   55    47 S   OH   _O39    74     1.42779   108.86854    65.80779
   56    55 S   HO   _H17    75     0.97164   107.93290   160.10073
   57    49 S   NG   _N5_    46     1.48417   111.86602    55.70426
   58    57 S   H    _H18    47     1.01816   118.41176  -106.50411
   59    51 S   C    _C5_    57     1.38301   123.08740   150.48011
   60    59 S   O    _O33    58     1.22834   125.31111     1.14569
   61    53 S   CT   _C14    67     1.52942   112.79434  -179.36081
   62    61 S   HC   _H13    68     1.09483   110.96003    64.41025
   63    61 S   HC   _H14    69     1.09344   111.71454   -58.21249
   64    53 S   OH   _O38    72     1.42969   108.59693   -59.62778
   65    64 S   HO   _H16    73     0.97356   106.68957   177.50260
   66    57 S   CG   _C15    48     1.38454   123.83180    78.12196
   67    59 S   CT   _C4_    59     1.50436   112.63641   179.38071
   68    67 S   HC   _H9_    60     1.09382   110.65006    41.06958
   69    67 S   HC   _H10    61     1.09349   109.56223   160.66265
   70    67 S   HC   _H11    62     1.09328   109.29683   -79.48578
   71    61 S   OH   _O37    70     1.42560   108.86945  -177.18221
   72    71 S   HO   _H15    71     0.97246   107.02768   179.71884
   73    66 S   NG   _N7_    49     1.38033   118.90053   179.58693
   74    73 S   H    _H21    50     1.01542   121.38252     0.23573
   75    73 S   H    _H22    51     1.01998   121.20438   179.26671
   76    66 S   NG   _N6_    52     1.38042   122.00725    -0.07662
   77    76 S   H    _H19    53     1.01965   121.08137  -179.93147
   78    76 S   H    _H20    54     1.01557   122.38512    -1.01375
  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
  15   7   2   1   1  11  13   4   1   1  17   8  15   7  13   6
   9   4   8   3  10   7   3   1   8   3   5   4   6   4   3   2
   1   6   3   2   1   1   1   1   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    49    50    57    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    46    49    50    57    58    66    51    40    41    42  
   38    39    45    49    50    57    40  
   36    37  
   37  
    0  
   39    43    44    45    49    50    57    47    40    41    42  
   43    44    45    46    49    51    47    48    53    55    40    41    42  
   41    42    43    49  
   42  
    0  
   44    45    46    49    50    57    51    52    59    47    48    53    54    61    64    55    56  
   45    46    49    51    47    48    53    55  
   46    49    50    57    58    66    51    52    59    60    67    47    48    53    55  
   49    50    57    51    52    59    47  
   48    53    54    61    62    63    71    64    65    55    56    49    51  
   53    54    61    64    55    56  
   50    57    58    66    73    76    51    52    59  
   57    58    66    51  
   52    59    60    67    68    69    70    57  
   59    60    67  
   54    61    62    63    71    72    64    65    55    56  
   61    62    63    71    64    65    55  
   56    61    64  
    0  
   58    66    73    74    75    76    77    78  
   66    73    76  
   60    67    68    69    70  
   67    68    69    70  
   62    63    71    72    64    65  
   63    71    72    64  
   71    72    64  
   65    71  
    0  
   73    74    75    76    77    78  
   68    69    70  
   69    70  
   70  
    0  
   72  
    0  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
   78  
    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   0.177500   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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.133000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   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  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   74   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   77   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.460000   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    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    49   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   337.000  1.449
   49    50   340.000  1.090
   49    57   337.000  1.463
   57    58   434.000  1.010
   57    66   481.000  1.340
   66    73   481.000  1.340
   66    76   481.000  1.340
   73    74   434.000  1.010
   73    75   434.000  1.010
   76    77   434.000  1.010
   76    78   434.000  1.010
   51    52   434.000  1.010
   51    59   490.000  1.335
   59    60   570.000  1.229
   59    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   320.000  1.410
   71    72   553.000  0.945
   64    65   553.000  0.945
   55    56   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  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    49    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    49    45    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    57    80.00000  111.20000
   38    33    34    35.00000  109.50000
   38    39    43    90.00000  111.18400
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    35.00000  109.50000
   39    43    45    50.00000  109.50000
   39    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    45    51    70.00000  110.72300
   43    47    48    37.50000  110.70000
   43    47    53    58.35000  112.70000
   43    47    55    50.00000  109.50000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    57    80.00000  111.20000
   45    51    52    38.00000  118.40000
   45    51    59    50.00000  121.90000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    45    46    37.50000  110.70000
   49    57    58    35.00000  118.40000
   49    57    66    50.00000  123.20000
   57    49    50    35.00000  109.50000
   57    66    73    70.00000  120.00000
   57    66    76    70.00000  120.00000
   66    57    58    35.00000  120.00000
   66    73    74    35.00000  120.00000
   66    73    75    35.00000  120.00000
   66    76    77    35.00000  120.00000
   66    76    78    35.00000  120.00000
   75    73    74    35.00000  120.00000
   76    66    73    70.00000  120.00000
   78    76    77    35.00000  120.00000
   51    45    46    35.00000  109.50000
   51    45    49    70.00000  110.72300
   51    59    60    80.00000  122.90000
   51    59    67    70.00000  116.60000
   59    51    52    35.00000  119.80000
   59    67    68    35.00000  109.50000
   59    67    69    35.00000  109.50000
   59    67    70    35.00000  109.50000
   67    59    60    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    61    58.35000  112.70000
   47    53    64    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    47    48    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    71    50.00000  109.50000
   53    64    65    55.00000  108.50000
   61    53    54    37.50000  110.70000
   61    71    72    55.00000  108.50000
   63    61    62    33.00000  107.80000
   71    61    62    35.00000  109.50000
   71    61    63    35.00000  109.50000
   64    53    54    35.00000  109.50000
   64    53    61    50.00000  109.50000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   40    38    39    80.00000  120.01400
   42    40    41    65.00000  121.00000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38    39    43   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    49    57    58  -0.09500  1.0 1.0
   33    49    57    58  -0.20850 -1.0 2.0
   33    49    57    58   0.20900  1.0 3.0
   33    49    57    66   0.25550 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    45   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    57  -0.29100  1.0 3.0
   38    33    49    45   0.34400  1.0 1.0
   38    33    49    45   0.09450 -1.0 2.0
   38    33    49    45   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    57   0.21700  1.0 1.0
   38    33    49    57   0.68550 -1.0 2.0
   38    33    49    57  -0.27950  1.0 3.0
   38    39    43    44   0.08050  1.0 3.0
   38    39   -43    45  -0.46850  1.0 1.0
   38    39   -43    45   0.09300 -1.0 2.0
   38    39   -43    45  -0.12850  1.0 3.0
   38    39    43    47  -0.46850  1.0 1.0
   38    39    43    47   0.09300 -1.0 2.0
   38    39    43    47  -0.12850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    45    46   0.23400  1.0 3.0
   39    43    45    49   0.62750  1.0 1.0
   39    43    45    49  -0.30950 -1.0 2.0
   39    43    45    49   0.27300  1.0 3.0
   39    43    45    51   1.12100  1.0 1.0
   39    43    45    51  -0.16500 -1.0 2.0
   39    43    47    48   0.23400  1.0 3.0
   39    43    47    53   0.62750  1.0 1.0
   39    43    47    53  -0.30950 -1.0 2.0
   39    43    47    53   0.27300  1.0 3.0
   39    43    47    55   3.69350  1.0 1.0
   39    43    47    55  -1.82950 -1.0 2.0
   43    45   -49    33   0.56750  1.0 1.0
   43    45   -49    33  -0.07550 -1.0 2.0
   43    45   -49    33   0.20000  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    57   0.86200  1.0 1.0
   43    45    49    57   0.12850 -1.0 2.0
   43    45    49    57   0.15950  1.0 3.0
   43    45    51    52   0.00000  1.0 1.0
   43    45    51    59  -0.43950  1.0 1.0
   43    45    51    59  -0.08100 -1.0 2.0
   43    45    51    59   0.03350  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    61   0.56750  1.0 1.0
   43    47    53    61  -0.07550 -1.0 2.0
   43    47    53    61   0.20000  1.0 3.0
   43    47    53    64   0.86500  1.0 1.0
   43    47    53    64  -0.17500 -1.0 2.0
   43    47    53    64   0.20800  1.0 3.0
   43    47    55    56  -0.11600  1.0 1.0
   43    47    55    56  -0.09450 -1.0 2.0
   43    47    55    56   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    51   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    55   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    53   0.56750  1.0 1.0
   45    43    47    53  -0.07550 -1.0 2.0
   45    43    47    53   0.20000  1.0 3.0
   45    43    47    55   0.86500  1.0 1.0
   45    43    47    55  -0.17500 -1.0 2.0
   45    43    47    55   0.20800  1.0 3.0
   45    49    57    58  -0.09500  1.0 1.0
   45    49    57    58  -0.20850 -1.0 2.0
   45    49    57    58   0.20900  1.0 3.0
   45    49    57    66   0.25550 -1.0 2.0
   45    51    59    60   3.04450 -1.0 2.0
   45    51    59    67   1.49850  1.0 1.0
   45    51    59    67   1.53950 -1.0 2.0
   46    45    49    33   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    57  -0.29100  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    59   0.00000  1.0 1.0
   49    33   -38    39   0.09700  1.0 1.0
   49    33   -38    39   0.15600 -1.0 2.0
   49    33   -38    39  -0.50800  1.0 3.0
   49    33    38    40   0.09850  1.0 1.0
   49    33    38    40   0.15250 -1.0 2.0
   49    33    38    40  -0.50650  1.0 3.0
   49    45    51    52   0.00000  1.0 1.0
   49    45    51    59  -0.43950  1.0 1.0
   49    45    51    59  -0.08100 -1.0 2.0
   49    45    51    59   0.03350  1.0 3.0
   49    57    66    73   3.96800 -1.0 2.0
   49    57    66    76   3.96800 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    66   0.08850  1.0 3.0
   57    66    73    74   1.50000 -1.0 2.0
   57    66    73    75   1.50000 -1.0 2.0
   57    66    76    77   1.50000 -1.0 2.0
   57    66    76    78   1.50000 -1.0 2.0
   58    57    66    73   1.50000 -1.0 2.0
   58    57    66    76   1.50000 -1.0 2.0
   73    66    76    77   1.50000 -1.0 2.0
   73    66    76    78   1.50000 -1.0 2.0
   76    66    73    74   1.50000 -1.0 2.0
   76    66    73    75   1.50000 -1.0 2.0
   51    45    49    33  -0.27100  1.0 1.0
   51    45    49    33  -0.01700 -1.0 2.0
   51    45    49    33  -0.48600  1.0 3.0
   51    45    49    50   0.15000  1.0 3.0
   51    45    49    57   2.20050  1.0 1.0
   51    45    49    57   0.63450 -1.0 2.0
   51    45    49    57  -0.91300  1.0 3.0
   51    59    67    68   0.00000  1.0 1.0
   51    59    67    69   0.00000  1.0 1.0
   51    59    67    70   0.00000  1.0 1.0
   52    51    59    60   2.45000 -1.0 2.0
   52    51    59    67   2.45000 -1.0 2.0
   60    59    67    68   0.00000  1.0 1.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    70   0.00000  1.0 1.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    43    45    51   0.43900  1.0 1.0
   47    43    45    51   0.49100 -1.0 2.0
   47    43    45    51   0.28400  1.0 3.0
   47    53    61    62   0.15000  1.0 3.0
   47    53    61    63   0.15000  1.0 3.0
   47    53    61    71   0.86500  1.0 1.0
   47    53    61    71  -0.17500 -1.0 2.0
   47    53    61    71   0.20800  1.0 3.0
   47    53    64    65  -0.11600  1.0 1.0
   47    53    64    65  -0.09450 -1.0 2.0
   47    53    64    65   0.21250  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    61   0.15000  1.0 3.0
   48    47    53    64   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    61    71    72  -0.11600  1.0 1.0
   53    61    71    72  -0.09450 -1.0 2.0
   53    61    71    72   0.21250  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    71   0.23400  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   61    53    64    65  -0.11600  1.0 1.0
   61    53    64    65  -0.09450 -1.0 2.0
   61    53    64    65   0.21250  1.0 3.0
   62    61    71    72   0.19450  1.0 3.0
   63    61    71    72   0.19450  1.0 3.0
   64    53    61    62   0.23400  1.0 3.0
   64    53    61    63   0.23400  1.0 3.0
   64    53    61    71   3.75450  1.0 1.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    61   0.86500  1.0 1.0
   55    47    53    61  -0.17500 -1.0 2.0
   55    47    53    61   0.20800  1.0 3.0
   55    47    53    64   3.75450  1.0 1.0
   40    38    39    43  -2.26850  1.0 1.0
   40    38    39    43   3.39050 -1.0 2.0
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    40   1.10000 -1.0 2.0
   58    66    57    49   1.00000 -1.0 2.0
   57    73    66    76  10.50000 -1.0 2.0
   75    66    73    74   1.00000 -1.0 2.0
   77    78    76    66   1.00000 -1.0 2.0
   52    59    51    45   1.00000 -1.0 2.0
   51    67    59    60  10.50000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
