* LIGAND DATABASE FILE (OPLS2005)
*
001      80    84    155    259     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061    34.62541   141.64428
    3     1 S   H    _H1_     3     1.02101    82.86335   -79.93323
    4     1 S   H    _H2_     4     1.02041    96.67038    28.17610
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08639   110.43529    58.98053
   26    24 S   HC   HB22    34     1.08669   109.83319   178.96297
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.83536   100.39591  -179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.48629   110.03619    59.94798
   38    33 S   CT   _C22    75     1.53250   108.23957  -178.90586
   39    38 S   HC   _H42    76     1.09662   111.58888    59.32395
   40    38 S   HC   _H43    77     1.09772   110.38594   176.63693
   41    38 S   HC   _H44    78     1.09535   112.45922   -63.02417
   42    33 S   OH   _O25    79     1.42846   111.39036   -61.00854
   43    42 S   HO   _H46    80     0.97303   107.22853  -178.40738
   44    37 S   CMA  _C13    38     1.34767   129.94662  -120.34561
   45    44 S   OM   _O23    39     1.25670   133.27728    -3.40916
   46    37 S   C    _C14    65     1.48055   121.19175    57.48412
   47    46 S   O    _O24    66     1.22030   123.89061    -1.98446
   48    44 S   CT   _C17    40     1.51558   110.97049  -176.73979
   49    48 S   HC   _H34    41     1.10046   108.42968   102.58228
   50    48 S   CT   _C16    42     1.54048   127.73523  -125.14830
   51    50 S   HC   _H33    43     1.10129   106.64649  -150.83474
   52    50 S   C5B  _C10    44     1.49100   124.57146   -28.94052
   53    50 S   CT   _C18    61     1.57505   103.28622    96.09534
   54    53 S   HC   _H35    62     1.10484   106.58398   -74.16481
   55    52 S   C5A  _C7_    45     1.37471   136.68079   -37.38926
   56    55 S   HA   _H30    46     1.07960   132.36635     3.13463
   57    53 S   CT   _C19    63     1.54346   102.72486    38.50573
   58    55 S   NA   _N21    47     1.38221   108.05238  -175.83952
   59    58 S   H    _H45    48     1.01078   124.56145  -179.80617
   60    48 S   N    _N22    64     1.47120   100.84956    -8.92203
   61    57 S   CT   _C20    67     1.53529   110.25341  -161.65511
   62    61 S   HC   _H36    68     1.08657   109.37255   179.94405
   63    61 S   HC   _H37    69     1.08657   109.42250    60.01690
   64    61 S   HC   _H38    70     1.08555   109.39960   -60.03757
   65    57 S   CT   _C21    71     1.53422   114.50065    75.48075
   66    65 S   HC   _H39    72     1.08630   109.40860  -179.97202
   67    65 S   HC   _H40    73     1.08634   109.47087    60.03567
   68    65 S   HC   _H41    74     1.08572   109.47303   -60.00669
   69    58 S   CN   _C11    49     1.37804   110.45085     3.59619
   70    69 S   CA   _C6_    50     1.39484   132.96863   177.09579
   71    70 S   HA   _H29    51     1.08368   121.98428     1.04642
   72    70 S   CA   _C4_    52     1.40783   116.74852  -178.04155
   73    72 S   HA   _H27    53     1.08787   118.90042   179.46771
   74    72 S   CA   _C5_    54     1.40362   122.09002    -0.17359
   75    74 S   HA   _H28    55     1.08635   119.40920   179.32914
   76    74 S   CA   _C9_    56     1.39711   120.43281    -0.78733
   77    52 S   CR3  _C8_    57     1.42185   116.88950   151.02175
   78    76 S   CT   _C15    58     1.51588   125.02131   178.46979
   79    78 S   HC   _H31    59     1.09510   108.80189   -82.41284
   80    78 S   HC   _H32    60     1.09568   109.84501    36.32253
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  13   2   1   1  15   7   3   2   1   3   1  11   5   9   3  13
   6  17   8  14  18   8   7   4  13   7   3   9   8   3   2   1
   4   2   1   1   8   7   4   6   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    46    38    39    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    45    48    60    46    47    38    39    40    41    42    43  
   35    36  
   36  
    0  
   44    45    48    49    50    57    60    46    47    38    39    40    41    42    43  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    46  
    0  
   45    48    49    50    51    52    53    57    60    46    47  
   48    49    50    60    46  
   47    61    65    48    49    50    53    57    60  
   48    57    60  
   49    50    51    52    55    77    78    53    54    57    60    61    65  
   50    51    52    53    57    60  
   51    52    55    56    58    69    76    77    78    79    80    53    54    57    60    61    65  
   52    55    77    78    53    54    57    60  
   55    56    58    59    69    70    74    76    77    78    53    54    57    60  
   54    57    60    61    62    63    64    65    66    67    68    55    74    76    77    78    79    80  
   57    60    61    65    76    78    79    80  
   56    58    59    69    70    76    77  
   58    59    69    77  
   60    61    62    63    64    65    66    67    68    76    78    79    80  
   59    69    70    71    72    76    77  
   69    70    77  
   61    62    63    64    65    66    67    68    78  
   62    63    64    65    66    67    68    78  
   63    64    65  
   64    65  
   65  
   66    67    68    78  
   67    68  
   68  
    0  
   70    71    72    73    74    76    77    78  
   71    72    73    74    75    76    77  
   72    73    74    77  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80  
   78    79    80  
   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   0.432500   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.004100   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   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.070000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.005000   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   317.000  1.510
   33    38   268.000  1.529
   33    42   320.000  1.410
   37    44   465.000  1.376
   37    46   410.000  1.444
   44    45   745.000  1.250
   44    48   270.000  1.512
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    60   337.000  1.449
   50    51   340.000  1.090
   50    52   295.000  1.494
   50    53   268.000  1.529
   52    55   520.000  1.370
   52    77   400.000  1.418
   55    56   367.000  1.080
   55    58   427.000  1.381
   58    59   434.000  1.010
   58    69   450.000  1.364
   69    70   485.000  1.374
   69    77   480.000  1.377
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   490.000  1.398
   76    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   57    60   337.000  1.449
   57    61   268.000  1.529
   57    65   268.000  1.529
   60    46   490.000  1.335
   46    47   570.000  1.229
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   553.000  0.945
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    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    44    70.00000  124.00000
   33    37    46    70.00000  119.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    55.00000  108.50000
   37    44    45    65.00000  137.10300
   37    44    48    65.00000  122.18000
   37    46    60    80.00000  111.56200
   37    46    47    80.00000  125.30000
   44    48    49    45.00000  110.52000
   44    48    50    70.00000  112.02700
   44    48    60    75.00000  110.78400
   48    44    45    85.00000  112.85300
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.62400
   48    50    53    58.35000  112.70000
   48    60    57    50.00000  118.00000
   48    60    46    50.00000  121.90000
   50    48    49    37.50000  110.70000
   50    52    55    55.00000  127.77900
   50    52    77    80.00000  105.07000
   50    53    78    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    57    58.35000  112.70000
   52    50    51    45.00000  111.11700
   52    55    56    35.00000  130.70000
   52    55    58    70.00000  106.30000
   52    77    69    80.00000  108.23900
   52    77    76    50.00000  136.08700
   55    58    59    35.00000  120.00000
   55    58    69    85.00000  109.59900
   58    55    56    35.00000  121.60000
   58    69    70    65.00000  126.13900
   58    69    77    90.00000  107.25500
   69    58    59    35.00000  121.00000
   69    70    71    40.00000  120.02000
   69    70    72    65.00000  119.97700
   69    77    76    70.00000  117.96600
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  112.88000
   74    76    78    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    53    70.00000  112.17500
   77    52    55    80.00000  108.23900
   77    69    70    70.00000  112.88000
   78    76    77    80.00000  105.07000
   78    53    54    37.50000  110.70000
   78    53    57    58.35000  112.70000
   80    78    79    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.62400
   53    78    79    37.50000  110.70000
   53    78    80    37.50000  110.70000
   53    57    60    70.00000  110.72300
   53    57    61    58.35000  112.70000
   53    57    65    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    60    46    50.00000  121.90000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   60    48    49    35.00000  109.50000
   60    48    50    70.00000  110.72300
   60    46    47    80.00000  122.90000
   46    37    44    60.00000  120.04000
   61    57    60    70.00000  110.72300
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    57    60    70.00000  110.72300
   65    57    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    90.00000  110.39200
   42    33    38    50.00000  109.50000
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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    37    46   0.09700  1.0 1.0
   29    33    37    46   0.15600 -1.0 2.0
   29    33    37    46  -0.50800  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.35600  1.0 1.0
   29    33    42    43  -0.10750 -1.0 2.0
   29    33    42    43  -0.54400  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   33    37    46    60   1.59650  1.0 1.0
   33    37    46    60   0.42750 -1.0 2.0
   33    37    46    60  -0.48350  1.0 3.0
   33    37    46    47  -0.64400  1.0 1.0
   33    37    46    47   0.26850 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43  -0.07800  1.0 1.0
   37    33    42    43  -0.21500 -1.0 2.0
   37    33    42    43  -0.03150  1.0 3.0
   37    44    48    49   0.00000  1.0 1.0
   37    44    48    50   0.09850  1.0 1.0
   37    44    48    50   0.15250 -1.0 2.0
   37    44    48    50  -0.50650  1.0 3.0
   37    44   -48    60   0.62150  1.0 1.0
   37    44   -48    60   0.42850 -1.0 2.0
   37    44   -48    60  -0.68200  1.0 3.0
   44    37   -46    60   0.49500  1.0 1.0
   44    37   -46    60   1.31600 -1.0 2.0
   44    37   -46    60  -0.02300  1.0 3.0
   44    37    46    47   1.00000 -1.0 2.0
   44    48    50    51   0.15000  1.0 3.0
   44    48    50    52   0.21200  1.0 1.0
   44    48    50    52   0.16900 -1.0 2.0
   44    48    50    52  -1.15100  1.0 3.0
   44    48    50    53   0.34400  1.0 1.0
   44    48    50    53   0.09450 -1.0 2.0
   44    48    50    53   0.11100  1.0 3.0
   44    48    60    57   0.17850 -1.0 2.0
   44    48   -60    46  -0.19250  1.0 1.0
   44    48   -60    46  -0.00500 -1.0 2.0
   44    48   -60    46   0.17000  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.09700  1.0 1.0
   45    44    48    50   0.15600 -1.0 2.0
   45    44    48    50  -0.50800  1.0 3.0
   45    44    48    60   0.09700  1.0 1.0
   45    44    48    60   0.15600 -1.0 2.0
   45    44    48    60  -0.50800  1.0 3.0
   48    50    52    55   0.04150 -1.0 2.0
   48    50    52    77   0.04150 -1.0 2.0
   48    50    53    78   0.56750  1.0 1.0
   48    50    53    78  -0.07550 -1.0 2.0
   48    50    53    78   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50   -53    57   0.56750  1.0 1.0
   48    50   -53    57  -0.07550 -1.0 2.0
   48    50   -53    57   0.20000  1.0 3.0
   48    60   -46    37   1.49850  1.0 1.0
   48    60   -46    37   1.53950 -1.0 2.0
   48    60    46    47   3.04450 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    60    57   0.00000  1.0 1.0
   49    48    60    46   0.00000  1.0 1.0
   50    48   -60    57  -0.05900 -1.0 2.0
   50    48    60    46  -0.43950  1.0 1.0
   50    48    60    46  -0.08100 -1.0 2.0
   50    48    60    46   0.03350  1.0 3.0
   50    52    55    56   3.62500 -1.0 2.0
   50    52    55    58   3.62500 -1.0 2.0
   50    52    77    69   3.62500 -1.0 2.0
   50    52    77    76   3.62500 -1.0 2.0
   50    53   -57    60   0.43900  1.0 1.0
   50    53   -57    60   0.49100 -1.0 2.0
   50    53   -57    60   0.28400  1.0 3.0
   50    53    57    61   0.56750  1.0 1.0
   50    53    57    61  -0.07550 -1.0 2.0
   50    53    57    61   0.20000  1.0 3.0
   50    53    57    65   0.56750  1.0 1.0
   50    53    57    65  -0.07550 -1.0 2.0
   50    53    57    65   0.20000  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    52    77   0.00000  1.0 1.0
   51    50    53    78   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    78  -0.03700  1.0 1.0
   52    50    53    78   0.37200 -1.0 2.0
   52    50    53    78  -0.47300  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    57  -0.03700  1.0 1.0
   52    50    53    57   0.37200 -1.0 2.0
   52    50    53    57  -0.47300  1.0 3.0
   52    55    58    59   1.40000 -1.0 2.0
   52    55   -58    69   3.62500 -1.0 2.0
   55    52   -77    69   3.62500 -1.0 2.0
   55    52    77    76   3.62500 -1.0 2.0
   55    58    69    70   3.62500 -1.0 2.0
   55    58   -69    77   3.62500 -1.0 2.0
   56    55    58    59   2.00000 -1.0 2.0
   56    55    58    69   3.62500 -1.0 2.0
   58    69    70    71   3.62500 -1.0 2.0
   58    69    70    72   3.62500 -1.0 2.0
   58    69   -77    52   3.62500 -1.0 2.0
   58    69    77    76   3.62500 -1.0 2.0
   59    58    69    70   2.00000 -1.0 2.0
   59    58    69    77   2.00000 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   70    69    77    52   3.62500 -1.0 2.0
   70    69    77    76   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72   -74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    52   3.62500 -1.0 2.0
   74    76   -77    69   3.62500 -1.0 2.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   74    76    78    53   0.04150 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -53    50  -0.03700  1.0 1.0
   76    78   -53    50   0.37200 -1.0 2.0
   76    78   -53    50  -0.47300  1.0 3.0
   76    78    53    54   0.43200  1.0 3.0
   76    78    53    57  -0.03700  1.0 1.0
   76    78    53    57   0.37200 -1.0 2.0
   76    78    53    57  -0.47300  1.0 3.0
   77    52    55    56   3.62500 -1.0 2.0
   77    52   -55    58   3.62500 -1.0 2.0
   77    69    70    71   3.62500 -1.0 2.0
   77    69   -70    72   3.62500 -1.0 2.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    53   0.04150 -1.0 2.0
   78    76   -77    52   3.62500 -1.0 2.0
   78    76    77    69   3.62500 -1.0 2.0
   78    53    57    60   0.43900  1.0 1.0
   78    53    57    60   0.49100 -1.0 2.0
   78    53    57    60   0.28400  1.0 3.0
   78    53    57    61   0.56750  1.0 1.0
   78    53    57    61  -0.07550 -1.0 2.0
   78    53    57    61   0.20000  1.0 3.0
   78    53    57    65   0.56750  1.0 1.0
   78    53    57    65  -0.07550 -1.0 2.0
   78    53    57    65   0.20000  1.0 3.0
   79    78    53    50   0.15000  1.0 3.0
   79    78    53    54   0.15000  1.0 3.0
   79    78    53    57   0.15000  1.0 3.0
   80    78    53    50   0.15000  1.0 3.0
   80    78    53    54   0.15000  1.0 3.0
   80    78    53    57   0.15000  1.0 3.0
   53    50    52    55   0.04150 -1.0 2.0
   53    50   -52    77   0.04150 -1.0 2.0
   53    57   -60    48  -0.05900 -1.0 2.0
   53    57    60    46  -0.43950  1.0 1.0
   53    57    60    46  -0.08100 -1.0 2.0
   53    57    60    46   0.03350  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    61    64   0.15000  1.0 3.0
   53    57    65    66   0.15000  1.0 3.0
   53    57    65    67   0.15000  1.0 3.0
   53    57    65    68   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    57    65   0.15000  1.0 3.0
   57    60    46    37   1.49850  1.0 1.0
   57    60    46    37   1.53950 -1.0 2.0
   57    60    46    47   3.04450 -1.0 2.0
   60    48    50    51   0.15000  1.0 3.0
   60    48    50    52   0.08550  1.0 1.0
   60    48    50    52   1.07500 -1.0 2.0
   60    48    50    52  -0.10950  1.0 3.0
   60    48   -50    53   0.43900  1.0 1.0
   60    48   -50    53   0.49100 -1.0 2.0
   60    48   -50    53   0.28400  1.0 3.0
   60    57    61    62   0.15000  1.0 3.0
   60    57    61    63   0.15000  1.0 3.0
   60    57    61    64   0.15000  1.0 3.0
   60    57    65    66   0.15000  1.0 3.0
   60    57    65    67   0.15000  1.0 3.0
   60    57    65    68   0.15000  1.0 3.0
   46    37    44    45   7.00000 -1.0 2.0
   46    37   -44    48   7.00000 -1.0 2.0
   61    57    60    48  -0.05900 -1.0 2.0
   61    57    60    46  -0.43950  1.0 1.0
   61    57    60    46  -0.08100 -1.0 2.0
   61    57    60    46   0.03350  1.0 3.0
   61    57    65    66   0.15000  1.0 3.0
   61    57    65    67   0.15000  1.0 3.0
   61    57    65    68   0.15000  1.0 3.0
   65    57    60    48  -0.05900 -1.0 2.0
   65    57    60    46  -0.43950  1.0 1.0
   65    57    60    46  -0.08100 -1.0 2.0
   65    57    60    46   0.03350  1.0 3.0
   65    57    61    62   0.15000  1.0 3.0
   65    57    61    63   0.15000  1.0 3.0
   65    57    61    64   0.15000  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    37    46   0.09700  1.0 1.0
   38    33    37    46   0.15600 -1.0 2.0
   38    33    37    46  -0.50800  1.0 3.0
   38    33    42    43  -0.11600  1.0 1.0
   38    33    42    43  -0.09450 -1.0 2.0
   38    33    42    43   0.21250  1.0 3.0
   42    33    37    44   0.67800  1.0 1.0
   42    33    37    44   0.47050 -1.0 2.0
   42    33    37    44  -0.62500  1.0 3.0
   42    33    37    46   0.09700  1.0 1.0
   42    33    37    46   0.15600 -1.0 2.0
   42    33    37    46  -0.50800  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    46    37    44   1.10000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   55    77    52    50   4.00000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   59    55    58    69   1.00000 -1.0 2.0
   70    77    69    58   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    78    76    74   4.00000 -1.0 2.0
   69    76    77    52   4.00000 -1.0 2.0
   57    46    60    48   1.00000 -1.0 2.0
   37    60    46    47  10.50000 -1.0 2.0
END
