* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    149    246     447
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02051    60.69765    80.63298
    3     1 S   H    _H1_     3     1.02099    51.52535  -123.16965
    4     1 S   H    _H2_     4     1.02104   106.32190   -22.00880
    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     1.08547   109.95733   179.14202
   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   _C13    36     1.85764    97.04822  -158.15228
   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   CT   _C14    37     1.55781   105.38608   -59.99861
   38    37 S   HC   _H17    38     1.09782   109.85575    81.89862
   39    37 S   HC   _H18    39     1.09887   110.60718   -35.78549
   40    33 S   CT   _C9_    50     1.54875   110.57231   179.09259
   41    40 S   HC   _H14    51     1.10201   108.07218    36.56172
   42    37 S   CT   _C5_    40     1.53954   114.72129  -155.64357
   43    42 S   HC   _H4_    41     1.09522   110.91684   174.43211
   44    40 S   CO4  _C10    52     1.52126   112.27824   -79.20781
   45    44 S   O    _O33    53     1.23216   120.91662   147.72780
   46    42 S   CT   _C6_    42     1.52489   113.37497   -57.10497
   47    46 S   HC   _H10    43     1.09440   112.63926   -33.70486
   48    46 S   HC   _H11    44     1.09694   110.29688  -152.76363
   49    44 S   CT   _C11    54     1.50811   118.10115   -38.00815
   50    49 S   HC   _H15    55     1.09648   109.01525   159.97142
   51    49 S   HC   _H16    56     1.09430   107.71611   -84.37775
   52    46 S   CT   _C7_    45     1.52703   105.33141    89.25015
   53    52 S   HC   _H12    46     1.09686   109.11504   115.69125
   54    52 S   HC   _H13    47     1.08787   111.59178  -127.50552
   55    49 S   CT   _C12    57     1.52549   111.26380    38.87744
   56    55 S   HC   _H6_    58     1.11155   109.79763    74.04206
   57    52 S   CT   _C8_    48     1.53161   106.08642    -2.30163
   58    57 S   HC   _H5_    49     1.09562   112.42258   145.25277
   59    55 S   CA   _C15    59     1.51590   110.96137  -169.51005
   60    33 S   OS   _O34    70     1.44025   111.53307    55.58517
   61    59 S   CA   _C16    60     1.39523   120.02522   -89.96909
   62    61 S   HA   _H19    61     1.08702   120.50913     0.05595
   63    42 S   NP   _N4_    71     1.51557   106.47484    55.89408
   64    63 S   H    _H3_    72     1.02889   109.50312    40.23424
   65    61 S   CA   _C17    62     1.39488   119.99160   179.93744
   66    65 S   HA   _H20    63     1.08621   119.98524   179.90109
   67    63 S   CT   _C4_    73     1.50051   114.97101   159.19989
   68    67 S   HC   _H7_    74     1.09088   107.81047    59.01678
   69    67 S   HC   _H8_    75     1.09103   107.78302   179.06226
   70    67 S   HC   _H9_    76     1.09177   107.75577   -61.01960
   71    65 S   CA   _C18    64     1.39540   119.99612     0.08156
   72    71 S   HA   _H21    65     1.08659   119.93187   179.85463
   73    71 S   CA   _C19    66     1.39451   119.99863    -0.05234
   74    73 S   HA   _H22    67     1.08569   120.02041   179.96574
   75    59 S   CA   _C20    68     1.39459   119.97667    89.99718
   76    75 S   HA   _H23    69     1.08634   120.53885     0.07662
  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  11   5   4   3
  19   2   1   1  17   7   6  18   8  16   8  12   5  10   6   5
   9   5   4   7   4   3   9   4   8   3  10   2   8   4   5   4
   6   3   3   2   1   1   5   3   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    40    60    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    57    40    41    44    55    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    52    57    58    40    41    44    45    49    55    56    59    60    63  
   35    36  
   36  
    0  
   38    39    42    43    46    47    48    52    57    40    41    44    55    60    63    64    67  
   39    42    43    46    40    60    63  
   42    43    46    40    60    63  
   41    44    45    49    50    51    55    60    63    64    67    42    46    52    53    54    57    58  
   44    45    49    60    63    52    57    58  
   43    46    47    48    52    53    54    57    58    60    63    64    67    68    69    70  
   46    47    48    52    57    63    64    67  
   45    49    50    51    55    56    59    60    63    52    57    58  
   49    50    51    55    57  
   47    48    52    53    54    57    58    63    64    67  
   48    52    53    54    57    63  
   52    53    54    57    63  
   50    51    55    56    59    61    75    60    57  
   51    55    56    59    60  
   55    56    59    60  
   53    54    57    58    63    64    67  
   54    57    58    63  
   57    58    63  
   56    59    61    62    65    73    75    76    60  
   59    61    75    60  
   58    60    63    64    67    68    69    70  
   63    64    67  
   61    62    65    66    71    73    74    75    76    60  
   61    75  
   62    65    66    71    72    73    75    76  
   65    66    71    75  
   64    67    68    69    70  
   67    68    69    70  
   66    71    72    73    74    75  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76  
   75    76  
   76  
    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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    60   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    63   367.000  1.471
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    40   268.000  1.529
   57    63   367.000  1.471
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    59   317.000  1.510
   55    60   320.000  1.410
   59    61   469.000  1.400
   59    75   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   63    64   434.000  1.010
   63    67   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    60    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    40    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    60    55    60.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    63    80.00000  111.20000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    58.35000  112.70000
   42    63    57    75.00000  113.01200
   42    63    64    35.00000  109.50000
   42    63    67    75.00000  113.01200
   46    42    43    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    40    58.35000  112.70000
   52    57    63    80.00000  111.20000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    40    41    37.50000  110.70000
   57    40    44    63.00000  111.10000
   57    63    64    35.00000  109.50000
   57    63    67    75.00000  113.01200
   40    33    37    58.35000  112.70000
   40    57    58    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.00000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    55    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    55    56    37.50000  110.70000
   49    55    59    70.00000  112.17500
   49    55    60    50.00000  109.50000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    59    61    70.00000  120.00000
   55    59    75    70.00000  120.00000
   59    55    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    65    63.00000  120.00000
   59    75    73    63.00000  120.00000
   59    75    76    35.00000  120.00000
   61    65    66    35.00000  120.00000
   61    65    71    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    59    61    63.00000  120.00000
   75    73    74    35.00000  120.00000
   60    33    37    50.00000  109.50000
   60    33    40    50.00000  109.50000
   60    55    56    35.00000  109.50000
   60    55    59    85.00000  111.85700
   63    42    43    35.00000  109.50000
   63    42    46    80.00000  111.20000
   63    57    58    35.00000  109.50000
   63    57    40    80.00000  111.20000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   67    63    64    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    40    57   0.44750  1.0 1.0
   29    33    40    57  -0.17800 -1.0 2.0
   29    33    40    57   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    60    55   0.14700  1.0 1.0
   29    33    60    55  -1.16150 -1.0 2.0
   29    33    60    55   0.48700  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.56750  1.0 1.0
   33    37    42    46  -0.07550 -1.0 2.0
   33    37    42    46   0.20000  1.0 3.0
   33    37    42    63   1.36600  1.0 1.0
   33    37    42    63  -0.11450 -1.0 2.0
   33    37    42    63   0.24250  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   0.60050  1.0 1.0
   33    40    44    49   0.05600 -1.0 2.0
   33    40    44    49   0.26150  1.0 3.0
   37    33    40    57   0.56750  1.0 1.0
   37    33    40    57  -0.07550 -1.0 2.0
   37    33    40    57   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44  -0.95700  1.0 1.0
   37    33    40    44  -0.18200 -1.0 2.0
   37    33    40    44   0.29450  1.0 3.0
   37    33    60    55   0.06250  1.0 1.0
   37    33    60    55  -0.01100 -1.0 2.0
   37    33    60    55   0.28050  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    52   0.56750  1.0 1.0
   37    42    46    52  -0.07550 -1.0 2.0
   37    42    46    52   0.20000  1.0 3.0
   37    42   -63    57   0.47100  1.0 1.0
   37    42    63    64   0.17350  1.0 3.0
   37    42    63    67   0.47100  1.0 1.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    63   0.19200  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    46   0.15000  1.0 3.0
   39    37    42    63   0.19200  1.0 3.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54   0.15000  1.0 3.0
   42    46   -52    57   0.56750  1.0 1.0
   42    46   -52    57  -0.07550 -1.0 2.0
   42    46   -52    57   0.20000  1.0 3.0
   42    63    67    68   0.15000  1.0 3.0
   42    63    67    69   0.15000  1.0 3.0
   42    63    67    70   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.15000  1.0 3.0
   43    42    63    57   0.15000  1.0 3.0
   43    42    63    64   0.13050  1.0 3.0
   43    42    63    67   0.15000  1.0 3.0
   46    42   -63    57   0.47100  1.0 1.0
   46    42    63    64   0.17350  1.0 3.0
   46    42    63    67   0.47100  1.0 1.0
   46    52    57    58   0.15000  1.0 3.0
   46    52    57    40   0.56750  1.0 1.0
   46    52    57    40  -0.07550 -1.0 2.0
   46    52    57    40   0.20000  1.0 3.0
   46    52   -57    63   1.36600  1.0 1.0
   46    52   -57    63  -0.11450 -1.0 2.0
   46    52   -57    63   0.24250  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    57   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    57   0.15000  1.0 3.0
   52    57    40    33   0.56750  1.0 1.0
   52    57    40    33  -0.07550 -1.0 2.0
   52    57    40    33   0.20000  1.0 3.0
   52    57    40    41   0.15000  1.0 3.0
   52    57    40    44  -0.95700  1.0 1.0
   52    57    40    44  -0.18200 -1.0 2.0
   52    57    40    44   0.29450  1.0 3.0
   52    57   -63    42   0.47100  1.0 1.0
   52    57    63    64   0.17350  1.0 3.0
   52    57    63    67   0.47100  1.0 1.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    40   0.15000  1.0 3.0
   53    52    57    63   0.19200  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    40   0.15000  1.0 3.0
   54    52    57    63   0.19200  1.0 3.0
   57    40    44    45   0.30150 -1.0 2.0
   57    40    44    49   0.60050  1.0 1.0
   57    40    44    49   0.05600 -1.0 2.0
   57    40    44    49   0.26150  1.0 3.0
   57    63    67    68   0.15000  1.0 3.0
   57    63    67    69   0.15000  1.0 3.0
   57    63    67    70   0.15000  1.0 3.0
   58    57    40    33   0.15000  1.0 3.0
   58    57    40    41   0.15000  1.0 3.0
   58    57    40    44  -0.11250  1.0 3.0
   58    57    63    42   0.15000  1.0 3.0
   58    57    63    64   0.13050  1.0 3.0
   58    57    63    67   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    60    55   0.06250  1.0 1.0
   40    33    60    55  -0.01100 -1.0 2.0
   40    33    60    55   0.28050  1.0 3.0
   40    57   -63    42   0.47100  1.0 1.0
   40    57    63    64   0.17350  1.0 3.0
   40    57    63    67   0.47100  1.0 1.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44   -49    55   0.60050  1.0 1.0
   40    44   -49    55   0.05600 -1.0 2.0
   40    44   -49    55   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   44    49    55    56  -0.11250  1.0 3.0
   44    49    55    59   0.56750  1.0 1.0
   44    49    55    59  -0.07550 -1.0 2.0
   44    49    55    59   0.20000  1.0 3.0
   44    49    55    60  -0.09450  1.0 1.0
   44    49    55    60  -1.12950 -1.0 2.0
   44    49    55    60   0.54000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    55   0.30150 -1.0 2.0
   49    55    59    61   0.04150 -1.0 2.0
   49    55    59    75   0.04150 -1.0 2.0
   49    55   -60    33   0.06250  1.0 1.0
   49    55   -60    33  -0.01100 -1.0 2.0
   49    55   -60    33   0.28050  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    59   0.43200  1.0 3.0
   50    49    55    60   0.23400  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    59   0.43200  1.0 3.0
   51    49    55    60   0.23400  1.0 3.0
   55    59    61    62   3.62500 -1.0 2.0
   55    59    61    65   3.62500 -1.0 2.0
   55    59    75    73   3.62500 -1.0 2.0
   55    59    75    76   3.62500 -1.0 2.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    75   0.00000  1.0 1.0
   56    55    60    33   0.37050  1.0 3.0
   59    55    60    33   0.37500  1.0 3.0
   59    61    65    66   3.62500 -1.0 2.0
   59    61    65    71   3.62500 -1.0 2.0
   61    59    75    73   3.62500 -1.0 2.0
   61    59    75    76   3.62500 -1.0 2.0
   61    65    71    72   3.62500 -1.0 2.0
   61    65   -71    73   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    71   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71    73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73   -75    59   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    59   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    59    61    62   3.62500 -1.0 2.0
   75    59   -61    65   3.62500 -1.0 2.0
   60    33    37    38   0.23400  1.0 3.0
   60    33    37    39   0.23400  1.0 3.0
   60    33    37    42   0.62750  1.0 1.0
   60    33    37    42  -0.30950 -1.0 2.0
   60    33    37    42   0.27300  1.0 3.0
   60    33    40    57   0.62750  1.0 1.0
   60    33    40    57  -0.30950 -1.0 2.0
   60    33    40    57   0.27300  1.0 3.0
   60    33    40    41   0.23400  1.0 3.0
   60    33   -40    44  -0.09450  1.0 1.0
   60    33   -40    44  -1.12950 -1.0 2.0
   60    33   -40    44   0.54000  1.0 3.0
   60    55    59    61   0.64500  1.0 1.0
   60    55    59    61   0.14800 -1.0 2.0
   60    55    59    61   0.20650  1.0 3.0
   60    55    59    75   0.64500  1.0 1.0
   60    55    59    75   0.14800 -1.0 2.0
   60    55    59    75   0.20650  1.0 3.0
   63    42    46    47   0.19200  1.0 3.0
   63    42    46    48   0.19200  1.0 3.0
   63    42   -46    52   1.36600  1.0 1.0
   63    42   -46    52  -0.11450 -1.0 2.0
   63    42   -46    52   0.24250  1.0 3.0
   63    57   -40    33   1.36600  1.0 1.0
   63    57   -40    33  -0.11450 -1.0 2.0
   63    57   -40    33   0.24250  1.0 3.0
   63    57    40    41   0.19200  1.0 3.0
   63    57    40    44  -1.46550  1.0 1.0
   63    57    40    44  -0.30600 -1.0 2.0
   63    57    40    44  -0.05950  1.0 3.0
   64    63    67    68   0.13050  1.0 3.0
   64    63    67    69   0.13050  1.0 3.0
   64    63    67    70   0.13050  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
   40    49    44    45  10.50000 -1.0 2.0
   61    75    59    55   4.00000 -1.0 2.0
   65    62    61    59   1.10000 -1.0 2.0
   71    66    65    61   1.10000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    59   1.10000 -1.0 2.0
END
