* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    148    225     437
    1     0 S   NP   _N1_     1    28.72019    95.84346   -23.34171
    2     1 S   H    _HN1     2     1.02787   105.34124   -96.74355
    3     1 S   H    _H1_     3     1.02949    77.05800     9.05584
    4     1 S   H    _H2_     4     1.02828    33.06906   163.91002
    5     1 S   CT   _CA1     5     1.50118   136.07273   115.14547
    6     5 S   HC   _HA1     6     1.09573   105.18374    85.27979
    7     5 S   CO3  _C1_     7     1.53785   112.46475   -34.94144
    8     7 S   O2Z  _O11     8     1.26374   115.00617   -42.37843
    9     7 S   O2Z  _O12     9     1.26240   114.94576   136.71378
   10     5 S   CT   _CB1    10     1.53072   107.41707  -156.73866
   11    10 S   HC   HB11    11     1.09835   109.36338   -49.57837
   12    10 S   HC   HB12    12     1.09812   110.45508    67.03029
   13    10 S   CT   _CG1    13     1.52995   112.60987  -170.54335
   14    13 S   HC   HG11    14     1.09578   110.65239   -66.08754
   15    13 S   HC   HG12    15     1.09671   109.76446    53.14763
   16    13 S   C    _CD1    16     1.51803   112.17936   173.60472
   17    16 S   O    _OE1    17     1.22736   123.25488     8.22879
   18    16 S   N    _N2_    18     1.38651   111.69649  -171.88279
   19    18 S   H    _HN2    19     1.01574   118.96183     1.50363
   20    18 S   CT1  _CA2    20     1.46195   123.37710   177.17485
   21    20 S   HC   _HA2    21     1.09744   109.36778     3.28605
   22    20 S   C    _C2_    22     1.53591   108.55858  -112.16721
   23    22 S   O    _O2_    23     1.23059   122.32005  -147.59490
   24    20 S   CT   _CB2    32     1.53408   111.73256   125.28972
   25    24 S   HC   HB21    33     1.09564   109.98338    56.36605
   26    24 S   HC   HB22    34     1.09275   109.58006   174.92472
   27    22 S   N    _N3_    24     1.38347   113.70289    39.71335
   28    27 S   H    _HN3    25     1.01574   119.56972    -2.95605
   29    24 S   S    _SG2    35     1.82995   111.28852   -63.81456
   30    27 S   CT   _CA3    26     1.45286   123.24093   177.26033
   31    30 S   HC   HA31    27     1.09546   107.46458   -66.07787
   32    30 S   HC   HA32    28     1.09557   108.04170    50.37277
   33    29 S   CT   _C11    36     1.85789   102.25817  -160.67902
   34    30 S   CO3  _C3_    29     1.52971   114.08087   172.43610
   35    34 S   O2Z  _O31    30     1.26378   116.08942     0.16551
   36    34 S   O2Z  _O32    31     1.26433   114.41773  -179.76097
   37    33 S   CT   _C10    37     1.56842   113.30835    66.30274
   38    37 S   HC   _H11    38     1.09954   108.30974   -82.08466
   39    37 S   HC   _H12    39     1.09699   106.80419   166.10580
   40    33 S   CT   _C12    62     1.58510   110.20506  -168.57161
   41    40 S   HC   _H6_    63     1.09670   107.23939  -171.72956
   42    33 S   CT   _C15    77     1.55535   108.13832   -51.52459
   43    42 S   HC   _H18    78     1.09607   112.52581   -51.33812
   44    42 S   HC   _H19    79     1.09698   110.38530  -171.42407
   45    42 S   HC   _H20    80     1.09543   112.46804    69.96960
   46    37 S   CT   _C9_    40     1.54461   120.07907    40.62624
   47    46 S   HC   _H5_    41     1.09212   112.20046    25.48885
   48    40 S   OH   _O33    64     1.44147   108.72736    75.78503
   49    48 S   HO   _H17    65     0.97268   107.58160   170.40806
   50    46 S   CT   _C8_    42     1.54450   111.65608   152.51008
   51    50 S   HC   _H4_    43     1.09966   109.79527    27.52016
   52    50 S   CM   _C17    44     1.49631   100.61201   139.57995
   53    50 S   CT   _C7_    51     1.55661   115.29870   -96.83426
   54    53 S   HC   _H3_    52     1.09392   108.90557   -88.97141
   55    52 S   CO4  _C16    45     1.47455   109.41590   -17.88070
   56    55 S   O    _O35    46     1.21765   126.97822  -171.84137
   57    52 S   CM   _C18    48     1.33675   129.62706   161.61195
   58    57 S   HC   _H21    49     1.08444   121.31157     0.73542
   59    57 S   HC   _H22    50     1.08548   121.69454  -179.65282
   60    53 S   CM   _C6_    53     1.50533   110.91577    34.70836
   61    60 S   HC   _H10    54     1.08862   115.13920    65.95628
   62    53 S   OS   _O36    70     1.44704   107.67247   153.32242
   63    46 S   OS   _O34    47     1.44393   108.11173   -91.41257
   64    60 S   CM   _C5_    55     1.34645   125.33167  -102.29074
   65    62 S   CO4  _C19    71     1.36343   117.26152   154.26221
   66    65 S   O    _O37    72     1.22308   126.46942    -0.03956
   67    64 S   CT   _C14    56     1.51069   119.28367   158.89137
   68    67 S   HC   _H15    57     1.09647   111.64742    37.15292
   69    67 S   HC   _H16    58     1.09728   108.92847   153.38478
   70    64 S   CT   _C4_    66     1.50584   125.33128   -13.14660
   71    70 S   HC   _H7_    67     1.09419   110.70981   105.33422
   72    70 S   HC   _H8_    68     1.09186   113.41183   -16.49656
   73    70 S   HC   _H9_    69     1.09558   109.91159  -135.10891
   74    65 S   CT   _C20    73     1.49837   109.45596  -179.94405
   75    74 S   HC   _H23    74     1.09290   109.83403   -60.76028
   76    74 S   HC   _H24    75     1.09378   109.36311  -179.79442
   77    74 S   HC   _H25    76     1.09291   109.81589    61.15438
   78    67 S   CT   _C13    59     1.54549   109.92878   -86.90210
   79    78 S   HC   _H13    60     1.09846   106.84551  -146.06114
   80    78 S   HC   _H14    61     1.09326   109.68902   -32.28453
  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  13   5   4   3
  19   2   1   1  18   7   6  15   7   6   2   1   1  12   6   5
   1  15   8  10  13   5   5   2   3   1   1  12   4   7   1  10
   5   4   9   5   4   4   2   1   1   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    78    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    63    67    78    79    80    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    55    63    53    78    40    41    48    42    43    44    45  
   39    46    47    50    63    40    42  
   46    47    50    63    40    42  
   41    48    49    42    43    44    45    46    64    67    68    69    78    79    80  
   48    49    42    67    78    79    80  
   43    44    45    46    48    78  
   44    45  
   45  
    0  
   47    50    51    52    55    56    63    57    53    54    60    62  
   50    51    52    55    63    53  
   49    67    78    79    80  
   78  
   51    52    55    56    63    57    58    59    53    54    60    61    64    62    65  
   52    55    63    57    53    54    60    62  
   55    56    63    57    58    59    53    54    60    62  
   54    60    61    64    67    70    62    65    66    74    55    57    63  
   60    61    64    62    65  
   56    63    57    58    59  
   63    57  
   58    59    63  
   59  
    0  
   61    64    67    68    69    78    70    71    72    73    62    65  
   64    67    70    62  
   65    66    74    75    76    77    64  
    0  
   67    68    69    78    79    80    70    71    72    73  
   66    74    75    76    77  
   74    75    76    77  
   68    69    78    79    80    70    71    72    73  
   69    78    79    80    70  
   78    79    80    70  
   71    72    73    78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.167500   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   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    63   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    63   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   317.000  1.510
   53    62   320.000  1.410
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    67   317.000  1.510
   64    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    65   214.000  1.327
   65    66   570.000  1.229
   65    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    78    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    58.35000  112.70000
   37    46    63    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    70.00000  112.02700
   46    50    53    58.35000  112.70000
   46    63    55    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    70.00000  112.02700
   50    53    62    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    63    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   63    46    47    35.00000  109.50000
   63    46    50    50.00000  109.50000
   63    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    35.00000  117.00000
   53    60    64    70.00000  124.00000
   53    62    65    83.00000  116.90000
   60    53    54    35.00000  109.50000
   60    64    67    70.00000  124.00000
   60    64    70    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    78    70.00000  112.02700
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   67    78    79    37.50000  110.70000
   67    78    80    37.50000  110.70000
   67    78    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   78    67    68    37.50000  110.70000
   78    67    69    37.50000  110.70000
   78    40    41    37.50000  110.70000
   78    40    48    50.00000  109.50000
   80    78    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   70    64    67    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    60    85.00000  110.90400
   62    65    66    83.00000  123.40000
   62    65    74    81.00000  111.40000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   74    65    66    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.56750  1.0 1.0
   33    37    46    50  -0.07550 -1.0 2.0
   33    37    46    50   0.20000  1.0 3.0
   33    37    46    63   0.62750  1.0 1.0
   33    37    46    63  -0.30950 -1.0 2.0
   33    37    46    63   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    78   0.56750  1.0 1.0
   37    33    40    78  -0.07550 -1.0 2.0
   37    33    40    78   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.15000  1.0 3.0
   37    46    50    52   0.34400  1.0 1.0
   37    46    50    52   0.09450 -1.0 2.0
   37    46    50    52   0.11100  1.0 3.0
   37    46    50    53   0.56750  1.0 1.0
   37    46    50    53  -0.07550 -1.0 2.0
   37    46    50    53   0.20000  1.0 3.0
   37    46    63    55  -0.25900  1.0 1.0
   37    46    63    55  -0.47000 -1.0 2.0
   37    46    63    55   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    63   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    63   0.23400  1.0 3.0
   46    50   -52    55   0.09700  1.0 1.0
   46    50   -52    55   0.15600 -1.0 2.0
   46    50   -52    55  -0.50800  1.0 3.0
   46    50    52    57   0.09850  1.0 1.0
   46    50    52    57   0.15250 -1.0 2.0
   46    50    52    57  -0.50650  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    60   0.34400  1.0 1.0
   46    50    53    60   0.09450 -1.0 2.0
   46    50    53    60   0.11100  1.0 3.0
   46    50    53    62   0.62750  1.0 1.0
   46    50    53    62  -0.30950 -1.0 2.0
   46    50    53    62   0.27300  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    63    55   0.08050  1.0 3.0
   50    46   -63    55  -0.25900  1.0 1.0
   50    46   -63    55  -0.47000 -1.0 2.0
   50    46   -63    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    63  -0.15000  1.0 1.0
   50    52   -55    63   0.89550 -1.0 2.0
   50    52   -55    63  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.00000  1.0 1.0
   50    53    60    64   0.09850  1.0 1.0
   50    53    60    64   0.15250 -1.0 2.0
   50    53    60    64  -0.50650  1.0 3.0
   50    53    62    65  -0.25900  1.0 1.0
   50    53    62    65  -0.47000 -1.0 2.0
   50    53    62    65   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    62   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.31000  1.0 1.0
   52    50    53    60   0.14700 -1.0 2.0
   52    50    53    60   0.07550  1.0 3.0
   52    50    53    62   0.61850  1.0 1.0
   52    50    53    62  -0.22750 -1.0 2.0
   52    50    53    62   0.15300  1.0 3.0
   52    55   -63    46   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    63    46   3.00000 -1.0 2.0
   63    46    50    51   0.23400  1.0 3.0
   63    46   -50    52   0.61850  1.0 1.0
   63    46   -50    52  -0.22750 -1.0 2.0
   63    46   -50    52   0.15300  1.0 3.0
   63    46    50    53   0.62750  1.0 1.0
   63    46    50    53  -0.30950 -1.0 2.0
   63    46    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    63  -0.56150  1.0 1.0
   57    52    55    63   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    64    67   7.00000 -1.0 2.0
   53    60    64    70   7.00000 -1.0 2.0
   53    62    65    66   3.00000 -1.0 2.0
   53    62    65    74   1.63150  1.0 1.0
   53    62    65    74   2.92000 -1.0 2.0
   54    53    60    61   0.33100  1.0 3.0
   54    53    60    64   0.00000  1.0 1.0
   54    53    62    65   0.08050  1.0 3.0
   60    53    62    65  -0.82050  1.0 1.0
   60    53    62    65   0.00600 -1.0 2.0
   60    53    62    65   0.04400  1.0 3.0
   60    64    67    68   0.00000  1.0 1.0
   60    64    67    69   0.00000  1.0 1.0
   60    64    67    78   0.09850  1.0 1.0
   60    64    67    78   0.15250 -1.0 2.0
   60    64    67    78  -0.50650  1.0 3.0
   60    64    70    71   0.00000  1.0 1.0
   60    64    70    72   0.00000  1.0 1.0
   60    64    70    73   0.00000  1.0 1.0
   61    60    64    67   7.00000 -1.0 2.0
   61    60    64    70   7.00000 -1.0 2.0
   64    67    78    79   0.15000  1.0 3.0
   64    67    78    80   0.15000  1.0 3.0
   64    67    78    40   0.34400  1.0 1.0
   64    67    78    40   0.09450 -1.0 2.0
   64    67    78    40   0.11100  1.0 3.0
   67    64    70    71   0.34800  1.0 3.0
   67    64    70    72   0.34800  1.0 3.0
   67    64    70    73   0.34800  1.0 3.0
   67    78    40    33   0.56750  1.0 1.0
   67    78    40    33  -0.07550 -1.0 2.0
   67    78    40    33   0.20000  1.0 3.0
   67    78    40    41   0.15000  1.0 3.0
   67    78    40    48   0.86500  1.0 1.0
   67    78    40    48  -0.17500 -1.0 2.0
   67    78    40    48   0.20800  1.0 3.0
   68    67    78    79   0.15000  1.0 3.0
   68    67    78    80   0.15000  1.0 3.0
   68    67    78    40   0.15000  1.0 3.0
   69    67    78    79   0.15000  1.0 3.0
   69    67    78    80   0.15000  1.0 3.0
   69    67    78    40   0.15000  1.0 3.0
   78    40    48    49  -0.11600  1.0 1.0
   78    40    48    49  -0.09450 -1.0 2.0
   78    40    48    49   0.21250  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.15000  1.0 3.0
   79    78    40    48   0.23400  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    41   0.15000  1.0 3.0
   80    78    40    48   0.23400  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    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   70    64    67    68   0.34800  1.0 3.0
   70    64    67    69   0.34800  1.0 3.0
   70    64    67    78   0.46850  1.0 1.0
   70    64    67    78   0.08550 -1.0 2.0
   70    64    67    78   0.09800  1.0 3.0
   62    53    60    61   0.00000  1.0 1.0
   62    53    60    64   0.39000  1.0 1.0
   62    53    60    64  -0.05800 -1.0 2.0
   62    53    60    64  -0.55150  1.0 3.0
   62    65    74    75   0.00000  1.0 1.0
   62    65    74    76   0.00000  1.0 1.0
   62    65    74    77   0.00000  1.0 1.0
   66    65    74    75   0.00000  1.0 1.0
   66    65    74    76   0.00000  1.0 1.0
   66    65    74    77   0.00000  1.0 1.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    78   0.56750  1.0 1.0
   42    33    40    78  -0.07550 -1.0 2.0
   42    33    40    78   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  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
   50    55    52    57   1.10000 -1.0 2.0
   52    63    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   53    61    60    64   1.10000 -1.0 2.0
   67    70    64    60   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
END
