* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    224     416
    1     0 S   NP   _N1_     1    30.97400    92.82348   -26.98487
    2     1 S   H    _HN1     2     1.03142   147.17425   -75.65030
    3     1 S   H    _H1_     3     1.03329    76.24708    23.79552
    4     1 S   H    _H2_     4     1.02652    43.58515  -110.59429
    5     1 S   CT   _CA1     5     1.49986    96.68815   134.83764
    6     5 S   HC   _HA1     6     1.09566   104.75748   111.99101
    7     5 S   CO3  _C1_     7     1.53742   113.98841    -7.64745
    8     7 S   O2Z  _O11     8     1.26338   115.55871   -26.66858
    9     7 S   O2Z  _O12     9     1.26398   114.96209   152.42302
   10     5 S   CT   _CB1    10     1.52941   107.31449  -129.65584
   11    10 S   HC   HB11    11     1.09470   109.28751   -39.93479
   12    10 S   HC   HB12    12     1.09810   110.49148    76.38048
   13    10 S   CT   _CG1    13     1.53044   113.26584  -160.63250
   14    13 S   HC   HG11    14     1.09498   111.05620   -75.97281
   15    13 S   HC   HG12    15     1.09595   109.81018    43.41243
   16    13 S   C    _CD1    16     1.51879   110.37815   164.34105
   17    16 S   O    _OE1    17     1.22816   122.27309    36.64792
   18    16 S   N    _N2_    18     1.38411   112.68184  -143.78324
   19    18 S   H    _HN2    19     1.01638   119.00612    -2.64301
   20    18 S   CT1  _CA2    20     1.46174   123.42725   173.01054
   21    20 S   HC   _HA2    21     1.09223   107.98329   -27.62456
   22    20 S   C    _C2_    22     1.53516   107.95979  -141.72992
   23    22 S   O    _O2_    23     1.23062   122.53053  -145.42815
   24    20 S   CT   _CB2    32     1.53499   112.32357    95.00902
   25    24 S   HC   HB21    33     1.09645   109.56609    36.16768
   26    24 S   HC   HB22    34     1.09146   112.15485   153.54891
   27    22 S   N    _N3_    24     1.38608   113.48722    42.03053
   28    27 S   H    _HN3    25     1.01900   119.62345    -3.83405
   29    24 S   S    _SG2    35     1.83400   113.10901   -82.77028
   30    27 S   CT   _CA3    26     1.45347   122.71537   179.97202
   31    30 S   HC   HA31    27     1.09482   107.15151  -157.18802
   32    30 S   HC   HA32    28     1.09563   108.44705   -40.28194
   33    29 S   CT   _C13    36     1.87642   103.00310   -98.38684
   34    30 S   CO3  _C3_    29     1.53156   114.65292    82.04013
   35    34 S   O2Z  _O31    30     1.26303   116.55924    13.34583
   36    34 S   O2Z  _O32    31     1.26571   114.20071  -166.98273
   37    33 S   CM   _C18    37     1.52075   107.08820   -65.23329
   38    37 S   HC   _H17    38     1.08883   117.22728    86.90249
   39    33 S   CT   _C12    48     1.55774   113.05117    55.15548
   40    39 S   HC   _H12    49     1.09926   108.09886  -169.84324
   41    39 S   HC   _H13    50     1.09802   109.10317   -57.46398
   42    37 S   CM   _C17    39     1.33860   125.72084   -93.92327
   43    42 S   HC   _H16    40     1.08356   121.61864  -179.81443
   44    39 S   CT1  _C11    51     1.54361   116.38677    66.85077
   45    44 S   HC   _H4_    52     1.09419   109.52270   -34.90196
   46    42 S   CO4  _C16    41     1.47235   120.51003     2.21585
   47    46 S   O    _O34    42     1.22076   122.75971   175.87109
   48    44 S   CO3  _C19    53     1.54394   114.16501    88.44865
   49    48 S   O2Z  _O36    54     1.26423   116.20793    43.14105
   50    48 S   O2Z  _O35    55     1.26519   114.69997  -136.40198
   51    44 S   NE   _N5_    56     1.46096   108.61410  -155.30831
   52    51 S   H    _H11    57     1.01658   116.73942   -45.15073
   53    46 S   CO4  _C15    43     1.50541   117.58673    -3.74580
   54    53 S   O    _O33    44     1.22198   119.01345   162.92285
   55    51 S   CM   _C10    58     1.37496   127.71689   135.14136
   56    55 S   HC   _H10    59     1.08522   109.81561  -170.11600
   57    33 S   CT   _C14    45     1.54460   107.01054   176.83894
   58    57 S   HC   _H14    46     1.09651   111.65305   -50.18073
   59    57 S   HC   _H15    47     1.09789   110.52750  -169.40560
   60    55 S   CM   _C9_    60     1.34106   129.41091     9.68785
   61    60 S   HC   _H9_    61     1.08850   118.08021     3.28658
   62    60 S   CM   _C8_    62     1.45676   126.84611  -176.22888
   63    62 S   CM   _C7_    63     1.34929   119.91632  -169.47438
   64    63 S   HC   _H8_    64     1.08602   120.82201     1.97853
   65    63 S   CM   _C6_    65     1.44580   121.59669  -178.56469
   66    65 S   NE   _N4_    66     1.37615   118.37825     7.33120
   67    66 S   H    _H7_    67     1.01561   115.73023   176.74021
   68    65 S   CMA  _C20    76     1.52362   120.71776  -175.82702
   69    68 S   OM   _O38    77     1.26484   121.73356   -36.99275
   70    68 S   OM   _O37    78     1.26444   120.40169   145.36665
   71    66 S   CT1  _C5_    68     1.45325   123.37462    13.19507
   72    71 S   HC   _H3_    69     1.09726   108.85139  -154.82588
   73    62 S   CT   _C4_    70     1.52134   120.00435    12.35494
   74    73 S   HC   _H5_    71     1.09857   107.44201   -85.15771
   75    73 S   HC   _H6_    72     1.09595   111.05572    31.01136
   76    71 S   CO3  _C21    73     1.54604   107.37954    90.90272
   77    76 S   O2Z  _O40    74     1.26772   115.17958    48.33370
   78    76 S   O2Z  _O39    75     1.26367   116.44214  -132.56268
  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  12   5   4   3
  17   2   1   1  13   5  15   6   5   6   3  10   6   6   3   5
   2   1   6   3   4   3   6   3   2   1   1   9   3  11  11   4
   9  12   5   3   1   1   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    57    58    59    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    53    54    57    58    59    39    40    41    44    45    48    51  
   35    36  
   36  
    0  
   38    42    43    46    47    53    57    58    59    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    49    50    51    52    55    42    53    57    58    59  
   41    44    45    48    51    57  
   44    45    48    51    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    50    51    52    55    56    60    57  
   48    49    50    51    52    55  
   47    53    54    57    58    59  
   53    54    57  
   49    50    51    52    55  
   50    51  
   51  
   52    55    56    60    61    62  
   55    56    60  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    73  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    64    65    71    73    74    75  
   62    63    73  
   63    64    65    66    71    72    73    74    75    76    68  
   64    65    66    67    71    73    74    75    68    69    70  
   65    66    73    68  
   66    67    71    72    73    76    68    69    70  
   67    71    72    73    74    75    76    77    78    68    69    70  
   71    72    73    76    68  
   69    70    71  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   66   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   70   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    53   250.000  1.523
   53    54   570.000  1.229
   53    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   317.000  1.522
   44    51   382.000  1.448
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   434.000  1.010
   51    55   425.000  1.378
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    73   317.000  1.510
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   425.000  1.378
   65    68   465.000  1.376
   66    67   434.000  1.010
   66    71   382.000  1.448
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   656.000  1.250
   76    78   656.000  1.250
   68    69   745.000  1.250
   68    70   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    53    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  116.00000
   46    42    43    40.00000  117.72500
   46    53    54    80.00000  119.30300
   46    53    57    65.00000  115.45000
   53    46    47    80.00000  119.30300
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   57    53    54    80.00000  120.40000
   59    57    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    48    63.00000  111.10000
   39    44    51    80.00000  111.61500
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   44    51    52    35.00000  112.50000
   44    51    55    50.00000  121.00000
   48    44    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    48    63.00000  110.10000
   51    55    56    50.00000  112.30800
   51    55    60    70.00000  124.03900
   55    51    52    35.00000  114.50000
   55    60    61    35.00000  120.00000
   55    60    62    70.00000  123.01800
   60    55    56    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    73    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    73    71    70.00000  112.02700
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   63    65    66    70.00000  124.03900
   63    65    68    70.00000  117.34000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  114.50000
   65    66    71    50.00000  121.00000
   65    68    69    65.00000  137.10300
   65    68    70    65.00000  137.10300
   66    71    72    35.00000  109.50000
   66    71    73    80.00000  111.61500
   66    71    76    63.00000  110.10000
   71    66    67    35.00000  112.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    76    77    70.00000  117.00000
   71    76    78    70.00000  117.00000
   73    62    63    70.00000  124.00000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    63.00000  111.10000
   78    76    77    80.00000  126.00000
   68    65    66    70.00000  124.03900
   70    68    69    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48  -0.84850  1.0 1.0
   33    39    44    48  -0.22800 -1.0 2.0
   33    39    44    48   0.29250  1.0 3.0
   33    39    44    51   1.26750  1.0 1.0
   33    39    44    51  -0.00950 -1.0 2.0
   33    39    44    51   0.30600  1.0 3.0
   37    33    57    53  -0.98800  1.0 1.0
   37    33    57    53   0.48800 -1.0 2.0
   37    33    57    53   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    53   0.50400  1.0 1.0
   37    42   -46    53   1.60000 -1.0 2.0
   37    42   -46    53  -0.01800  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    53    54   0.03000  1.0 1.0
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   42    46    53    54   0.15550  1.0 3.0
   42    46    53    57   0.43900  1.0 1.0
   42    46    53    57  -0.18150 -1.0 2.0
   42    46    53    57  -0.03650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.92800 -1.0 2.0
   46    53   -57    33   0.65300  1.0 1.0
   46    53   -57    33  -0.03850 -1.0 2.0
   46    53   -57    33   0.33900  1.0 3.0
   46    53    57    58   0.00000  1.0 1.0
   46    53    57    59   0.00000  1.0 1.0
   47    46    53    54   0.06100 -1.0 2.0
   47    46    53    57   0.49600 -1.0 2.0
   54    53    57    33   0.30150 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42   0.09850  1.0 1.0
   57    33   -37    42   0.15250 -1.0 2.0
   57    33   -37    42  -0.50650  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.56750  1.0 1.0
   57    33    39    44  -0.07550 -1.0 2.0
   57    33    39    44   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    53  -0.95700  1.0 1.0
   39    33    57    53  -0.18200 -1.0 2.0
   39    33    57    53   0.29450  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
   39    44    48    49   0.00000  1.0 1.0
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   39    44    51    52   0.00000  1.0 1.0
   39    44    51    55   0.25450  1.0 1.0
   39    44    51    55  -0.61700 -1.0 2.0
   39    44    51    55  -0.23550  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48  -0.03800  1.0 3.0
   40    39    44    51   0.22950  1.0 3.0
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   62    63    65    66  -0.18600  1.0 3.0
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   62    63    65    68   2.61350 -1.0 2.0
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   63    62    73    71   0.09850  1.0 1.0
   63    62    73    71   0.15250 -1.0 2.0
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   66    71    76    77   0.00000  1.0 1.0
   66    71    76    78   0.00000  1.0 1.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    76   0.00000  1.0 1.0
   72    71    73    62   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    76    77   0.00000  1.0 1.0
   72    71    76    78   0.00000  1.0 1.0
   73    62    63    64   7.00000 -1.0 2.0
   73    62   -63    65   7.00000 -1.0 2.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   76    71    73    62  -0.98800  1.0 1.0
   76    71    73    62   0.48800 -1.0 2.0
   76    71    73    62   0.76800  1.0 3.0
   76    71    73    74  -0.03800  1.0 3.0
   76    71    73    75  -0.03800  1.0 3.0
   68    65    66    67   1.00000 -1.0 2.0
   68    65    66    71  -0.54700  1.0 1.0
   68    65    66    71   1.23000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    57    53    54  10.50000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
   52    55    51    44   1.00000 -1.0 2.0
   51    56    55    60  15.00000 -1.0 2.0
   62    61    60    55  15.00000 -1.0 2.0
   60    73    62    63   1.10000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   63    66    65    68   1.10000 -1.0 2.0
   67    65    66    71   1.00000 -1.0 2.0
   77    71    76    78  10.50000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
