* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    223     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02111    92.64591    35.96103
    3     1 S   H    _H1_     3     1.02117    33.11693   157.10586
    4     1 S   H    _H2_     4     1.02080    87.75471   -72.68700
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H17    37     1.09296   106.81907  -159.99961
   35    33 S   HC   _H18    38     1.09441   107.58942   -43.37915
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C19    39     1.53002   111.15960    77.95256
   40    39 S   HC   _H5_    40     1.09753   111.48407   -56.66813
   41    39 S   CT   _C18    41     1.54210   113.32394   179.18675
   42    41 S   HC   _H4_    42     1.09688   109.60988   -59.99807
   43    39 S   OH   _O35    79     1.43323   108.89090    61.17048
   44    43 S   HO   _H19    80     0.96794   106.01787   -59.98995
   45    41 S   CT   _C17    43     1.54102   115.01655    64.20123
   46    45 S   HC   _H3_    44     1.09564   109.45047   -66.61568
   47    41 S   OH   _O36    77     1.43365   107.41566  -175.29805
   48    47 S   HO   _H20    78     0.96817   106.05708   175.33545
   49    45 S   CT   _C16    45     1.53856   114.40333    55.86234
   50    49 S   HC   _H15    46     1.09770   110.48322   -59.94346
   51    49 S   HC   _H16    47     1.09914   109.13218    53.76379
   52    45 S   OH   _O37    75     1.42957   109.52249   176.84998
   53    52 S   HO   _H21    76     0.96789   106.31022   175.05791
   54    49 S   NE   _N4_    48     1.50641   113.85686   175.01371
   55    54 S   CA   _C8_    49     1.34683   118.68224    79.96758
   56    54 S   CDX  _C12    59     1.35365   116.89344   -99.99622
   57    55 S   CA   _C9_    50     1.39974   120.32140     0.06256
   58    57 S   HA   _H10    51     1.08588   121.97241    -0.02798
   59    56 S   NI   _N7_    60     1.35511   119.14340    -0.00000
   60    57 S   CA   _C10    52     1.39097   119.76262   180.00000
   61    59 S   C    _C15    61     1.33187   119.66804  -179.97202
   62    61 S   O    _O34    62     1.22357   127.32446   180.00000
   63    60 S   CA   _C5_    53     1.39218   119.70254    -0.02798
   64    61 S   N    _N6_    63     1.55792   120.05124    -0.02798
   65    64 S   H    _H14    64     1.01976   120.05093  -179.97202
   66    60 S   CT   _C11    71     1.49354   119.27374   180.00000
   67    66 S   HC   _H11    72     1.09587   110.27861    90.01056
   68    66 S   HC   _H12    73     1.09735   111.15822  -149.51814
   69    66 S   HC   _H13    74     1.09654   111.19840   -30.54405
   70    63 S   CA   _C6_    54     1.39774   120.11612    -0.02798
   71    70 S   HA   _H9_    55     1.08904   119.33685  -179.86730
   72    80 S   C    _C14    65     1.46060   114.23003   179.98022
   73    72 S   O    _O33    66     1.21410   128.70567    -0.02798
   74    63 S   CT   _C4_    67     1.49386   120.93917  -180.00000
   75    74 S   HC   _H6_    68     1.09618   110.23376   -89.96191
   76    74 S   HC   _H7_    69     1.09660   111.14909    30.47495
   77    74 S   HC   _H8_    70     1.09678   111.14769   149.53581
   78    55 S   CA   _C7_    56     1.40735   118.38650  -180.00000
   79    78 S   NI   _N5_    57     1.33974   120.97131     0.01978
   80    79 S   CD   _C13    58     1.35093   117.29054     0.00000
  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   7   5   4   3
  10   5   4   2   1   1  11   6  13   7   3   1  11   7   3   1
  11   5   4   2   1  12  12  10  11   4   7  12   6   3  12   5
   3   5   2   1   1   8   3   4   2   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    56    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    57    78    80    56    59    52    53  
   51    54    55    56    52  
   54    55    56    52  
   53    54  
    0  
   55    57    58    60    70    78    79    80    56    59    61    72  
   57    58    60    63    70    71    78    79    80    56    59    66  
   59    61    62    64    72    73    57    78    79    80  
   58    60    63    70    78    79    74    66    67    68    69  
   60    63    78    66  
   61    62    64    65    72    79    80  
   63    70    71    78    74    75    76    77    66    67    68    69  
   62    64    65    72    73    80  
   64    65    72  
   70    71    78    79    74    75    76    77    66    67    68    69  
   65    72    73    79    80  
   72    73    80  
   67    68    69    70    74  
   68    69  
   69  
    0  
   71    78    79    80    74    75    76    77  
   78    79    74  
   73    78    79    80  
   79    80  
   75    76    77    78  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   65   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.078800   2.5000   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   80   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   382.000  1.448
   54    55   481.000  1.340
   54    56   445.000  1.380
   55    57   469.000  1.400
   55    78   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    63   469.000  1.400
   60    66   317.000  1.510
   63    70   469.000  1.400
   63    74   317.000  1.510
   70    71   367.000  1.080
   70    78   469.000  1.400
   78    79   400.000  1.385
   79    80   500.000  1.261
   80    56   270.000  1.479
   80    72   270.000  1.486
   56    59   650.000  1.285
   59    61   415.000  1.368
   61    62   570.000  1.229
   61    64   490.000  1.335
   64    65   434.000  1.010
   64    72   490.000  1.335
   72    73   570.000  1.229
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    80.00000  111.61500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    50.00000  120.00000
   49    54    56    50.00000  119.50000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    55    57    70.00000  120.10000
   54    55    78    70.00000  120.10000
   54    56    80    75.00000  117.28700
   54    56    59    75.00000  124.36500
   55    57    58    35.00000  120.00000
   55    57    60    63.00000  120.00000
   55    78    70    63.00000  120.00000
   55    78    79    70.00000  120.44500
   57    60    63    63.00000  120.00000
   57    60    66    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    63    70    63.00000  120.00000
   60    63    74    70.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   63    70    71    35.00000  120.00000
   63    70    78    63.00000  120.00000
   63    74    75    35.00000  109.50000
   63    74    76    35.00000  109.50000
   63    74    77    35.00000  109.50000
   70    78    79    70.00000  120.44500
   78    55    57    63.00000  120.00000
   78    70    71    35.00000  120.00000
   78    79    80    70.00000  113.96500
   79    80    56    65.00000  122.46400
   79    80    72    65.00000  123.79500
   80    56    59    65.00000  122.46400
   80    72    64    75.00000  109.57000
   80    72    73    80.00000  120.45000
   56    54    55    50.00000  129.40000
   56    59    61    75.00000  109.13600
   59    61    62    80.00000  126.08800
   59    61    64    90.00000  112.94000
   61    64    65    35.00000  119.80000
   61    64    72    70.00000  121.37400
   64    61    62    80.00000  122.90000
   64    72    73    80.00000  122.90000
   72    80    56    70.00000  118.70000
   72    64    65    35.00000  119.80000
   74    63    70    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   66    60    63    70.00000  120.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54   1.26750  1.0 1.0
   41    45    49    54  -0.00950 -1.0 2.0
   41    45    49    54   0.30600  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55  -0.12500  1.0 1.0
   45    49    54    55  -0.12500 -1.0 2.0
   45    49    54    55   0.25000  1.0 3.0
   45    49    54    56   0.38950  1.0 1.0
   45    49    54    56  -0.47050 -1.0 2.0
   45    49    54    56   0.83150  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.22950  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    55    57  -1.00000  1.0 1.0
   49    54    55    57   1.25000 -1.0 2.0
   49    54    55    78  -1.00000  1.0 1.0
   49    54    55    78   1.25000 -1.0 2.0
   49    54    56    80  -0.54700  1.0 1.0
   49    54    56    80   1.23000 -1.0 2.0
   49    54    56    59  -0.86000  1.0 1.0
   49    54    56    59   0.84650 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    60   3.62500 -1.0 2.0
   54    55    78    70   3.62500 -1.0 2.0
   54    55    78    79   3.62500 -1.0 2.0
   54    56    59    61   6.00000 -1.0 2.0
   55    54    56    80  -0.54500  1.0 1.0
   55    54    56    80   1.14150 -1.0 2.0
   55    54    56    59  -1.45100  1.0 1.0
   55    54    56    59   1.83200 -1.0 2.0
   55    57    60    63   3.62500 -1.0 2.0
   55    57    60    66   3.62500 -1.0 2.0
   55    78   -79    80   1.25000 -1.0 2.0
   57    55    78    70   3.62500 -1.0 2.0
   57    55    78    79   3.62500 -1.0 2.0
   57    60   -63    70   3.62500 -1.0 2.0
   57    60    63    74   3.62500 -1.0 2.0
   57    60    66    67   0.00000  1.0 1.0
   57    60    66    68   0.00000  1.0 1.0
   57    60    66    69   0.00000  1.0 1.0
   58    57    60    63   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   60    63    70    71   3.62500 -1.0 2.0
   60    63    70    78   3.62500 -1.0 2.0
   60    63    74    75   0.00000  1.0 1.0
   60    63    74    76   0.00000  1.0 1.0
   60    63    74    77   0.00000  1.0 1.0
   63    60    66    67   0.00000  1.0 1.0
   63    60    66    68   0.00000  1.0 1.0
   63    60    66    69   0.00000  1.0 1.0
   63    70   -78    55   3.62500 -1.0 2.0
   63    70    78    79   3.62500 -1.0 2.0
   70    63    74    75   0.00000  1.0 1.0
   70    63    74    76   0.00000  1.0 1.0
   70    63    74    77   0.00000  1.0 1.0
   70    78    79    80   1.25000 -1.0 2.0
   71    70    78    55   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   78    55    57    58   3.62500 -1.0 2.0
   78    55   -57    60   3.62500 -1.0 2.0
   78    79    80    56   6.00000 -1.0 2.0
   78    79    80    72   6.00000 -1.0 2.0
   79    80   -56    54   7.00000 -1.0 2.0
   79    80    56    59   7.00000 -1.0 2.0
   79    80    72    64   1.50000 -1.0 2.0
   79    80    72    73   1.00000 -1.0 2.0
   80    56    59    61   6.00000 -1.0 2.0
   56    54    55    57  -0.02750  1.0 1.0
   56    54    55    57   0.06100 -1.0 2.0
   56    54   -55    78  -0.02750  1.0 1.0
   56    54   -55    78   0.06100 -1.0 2.0
   56    80    72    64   1.50000 -1.0 2.0
   56    80    72    73   1.00000 -1.0 2.0
   56    59    61    62   3.09300 -1.0 2.0
   56    59   -61    64  -5.73250  1.0 1.0
   56    59   -61    64   0.67550 -1.0 2.0
   59    61    64    65   2.56700 -1.0 2.0
   59    61    64    72   2.00000 -1.0 2.0
   61    64   -72    80   2.45000 -1.0 2.0
   61    64    72    73   2.22250 -1.0 2.0
   62    61    64    65   2.45000 -1.0 2.0
   62    61    64    72   2.22250 -1.0 2.0
   65    64    72    80   2.56700 -1.0 2.0
   65    64    72    73   2.45000 -1.0 2.0
   72    80    56    54   7.00000 -1.0 2.0
   72    80   -56    59   7.00000 -1.0 2.0
   74    63    70    71   3.62500 -1.0 2.0
   74    63    70    78   3.62500 -1.0 2.0
   66    60    63    70   3.62500 -1.0 2.0
   66    60    63    74   3.62500 -1.0 2.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   4.07950  1.0 1.0
   52    45    49    54  -0.26450 -1.0 2.0
   52    45    49    54  -0.12150  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   55    56    54    49   1.00000 -1.0 2.0
   57    78    55    54   4.00000 -1.0 2.0
   60    58    57    55   1.10000 -1.0 2.0
   63    66    60    57   4.00000 -1.0 2.0
   70    74    63    60   4.00000 -1.0 2.0
   78    71    70    63   1.10000 -1.0 2.0
   70    79    78    55   4.00000 -1.0 2.0
   56    72    80    79  10.50000 -1.0 2.0
   54    80    56    59  10.50000 -1.0 2.0
   59    64    61    62  10.50000 -1.0 2.0
   65    61    64    72   1.00000 -1.0 2.0
   80    64    72    73  10.50000 -1.0 2.0
END
