* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    29.94688    95.79038   -16.05318
    2     1 S   H    _HN1     2     1.02980   117.66701    50.75121
    3     1 S   H    _H1_     3     1.02821    46.02108   138.10436
    4     1 S   H    _H2_     4     1.02763    62.11646   -46.43645
    5     1 S   CT   _CA1     5     1.50197   131.01591  -142.66235
    6     5 S   HC   _HA1     6     1.09578   105.19483    10.13001
    7     5 S   CO3  _C1_     7     1.53811   112.32118  -109.84374
    8     7 S   O2Z  _O11     8     1.26341   114.98377   -40.21781
    9     7 S   O2Z  _O12     9     1.26265   114.88955   138.59855
   10     5 S   CT   _CB1    10     1.53040   107.29410   127.92459
   11    10 S   HC   HB11    11     1.09806   109.18864   -50.48335
   12    10 S   HC   HB12    12     1.09828   110.37479    65.82761
   13    10 S   CT   _CG1    13     1.53061   112.90536  -171.90478
   14    13 S   HC   HG11    14     1.09501   110.14570   -61.59539
   15    13 S   HC   HG12    15     1.09600   110.51023    57.27213
   16    13 S   C    _CD1    16     1.51847   111.12289   176.44405
   17    16 S   O    _OE1    17     1.22849   122.38602   -38.69060
   18    16 S   N    _N2_    18     1.38438   112.62914   142.69759
   19    18 S   H    _HN2    19     1.01553   119.15710     0.09691
   20    18 S   CT1  _CA2    20     1.46162   123.37444  -177.02790
   21    20 S   HC   _HA2    21     1.09725   109.42809   -15.46693
   22    20 S   C    _C2_    22     1.53376   108.20218  -131.26234
   23    22 S   O    _O2_    23     1.23017   122.29866  -145.27484
   24    20 S   CT   _CB2    32     1.53531   111.34237   106.70710
   25    24 S   HC   HB21    33     1.09406   109.57225    56.32351
   26    24 S   HC   HB22    34     1.09492   110.29986   174.07699
   27    22 S   N    _N3_    24     1.38521   113.31893    42.07520
   28    27 S   H    _HN3    25     1.01542   118.87874    -0.66086
   29    24 S   S    _SG2    35     1.83138   111.80289   -67.20267
   30    27 S   CT   _CA3    26     1.45435   123.39155   175.09064
   31    30 S   HC   HA31    27     1.09530   109.14031    26.23312
   32    30 S   HC   HA32    28     1.09493   107.15016   143.21769
   33    29 S   CT   _C20    36     1.85080   101.70710   135.92444
   34    33 S   OM   _O39    37     1.31916   108.69782  -172.38725
   35    30 S   CO3  _C3_    29     1.52929   113.16544   -97.17668
   36    35 S   O2Z  _O31    30     1.26397   115.42960   -44.35970
   37    35 S   O2Z  _O32    31     1.26360   114.96866   136.57543
   38    33 S   CO4  _C19    38     1.54491   108.24347   -60.49874
   39    38 S   O    _O36    39     1.23475   122.59083   -42.80826
   40    33 S   CT   _C21    71     1.55227   112.51444    64.43273
   41    40 S   HC   _H4_    72     1.10058   108.48496   -56.29853
   42    38 S   CT   _C17    40     1.53348   116.95213   135.34381
   43    42 S   HC   _H3_    41     1.09905   105.89491   -77.21595
   44    40 S   C    _C23    73     1.53818   113.77594    62.57124
   45    44 S   O    _O38    74     1.22914   123.61870    84.73230
   46    42 S   CT   _C18    42     1.53009   112.77394   166.18512
   47    46 S   HC   _H12    43     1.09740   109.56597   166.93675
   48    46 S   HC   _H13    44     1.09686   107.78612    50.26785
   49    44 S   N    _N4_    75     1.37624   113.99964   -96.05078
   50    49 S   H    _H14    76     1.01339   122.79474     2.00545
   51    49 S   H    _H15    77     1.01372   120.12837  -179.95577
   52    46 S   CA   _C6_    45     1.51760   113.75956   -71.88170
   53    52 S   CA   _C7_    46     1.39836   120.32953   -22.96831
   54    53 S   CA   _C8_    47     1.40576   119.10787   177.09552
   55    53 S   CO4  _C15    66     1.50251   119.90433    -4.45835
   56    55 S   O    _O35    67     1.22969   120.16932  -175.63157
   57    54 S   CA   _C9_    48     1.42796   122.92434    -1.29301
   58    54 S   OH   _O34    64     1.37872   119.89275   179.72164
   59    58 S   HO   _H11    65     0.97210   110.17135     2.68803
   60    42 S   CT   _C16    68     1.51651   110.93898    42.09513
   61    57 S   CA   _C10    49     1.43001   118.96084     1.33940
   62    60 S   CO4  _C22    69     1.52644   111.26083   -57.92522
   63    62 S   O    _O37    70     1.23444   120.46533  -154.61683
   64    60 S   OH   _O40    78     1.43087   108.78750  -173.74687
   65    64 S   HO   _H16    79     0.97459   107.51531   175.56151
   66    52 S   CA   _C5_    50     1.42656   120.21095   158.24179
   67    61 S   CA   _C11    55     1.44521   116.08473  -175.88996
   68    67 S   Cl   Cl1_    56     1.74012   124.50844   171.71419
   69    66 S   CT   _C4_    51     1.51721   117.30120     9.82573
   70    69 S   HC   _H5_    52     1.09272   110.72604   -99.31044
   71    69 S   HC   _H6_    53     1.09375   112.82940    21.71759
   72    69 S   HC   _H7_    54     1.09370   110.62647   136.45258
   73    67 S   CA   _C12    57     1.40047   122.88017    -4.06746
   74    73 S   HA   _H8_    58     1.08774   121.06461  -179.69099
   75    73 S   CA   _C13    59     1.37603   120.14000     1.31700
   76    75 S   HA   _H9_    60     1.08582   119.50486   180.00000
   77    57 S   CA   _C14    61     1.42998   122.35077  -178.62314
   78    77 S   OH   _O33    62     1.37636   120.48913    -1.62281
   79    78 S   HO   _H10    63     0.97145   109.63566   178.71123
  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   9   5   4   3
  14   7   2   1   1  14   5  12   6  14   8   7   4  12   5   4
   3   1   1  14  13  12   9   3  13   3   1   4  12   3   1   1
   1   8   7   3   3   2   1   1   5   3   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    62    63    40    41    44    45    49  
   38    39    42    62    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    62    40    41    44    64  
   42    43    46    60    40  
   41    44    45    49    50    51    64    42    55    60    62    63  
   44    45    49    60    62    63  
   43    46    47    48    52    53    66    55    56    60    62    63    64    65  
   46    47    48    52    55    60    62    64  
   45    49    50    51    60    62    63  
   49    50    51    62  
   47    48    52    53    54    61    66    69    55    60    62    64  
   48    52    53    66    60  
   52    53    66    60  
   50    51    62  
   51  
    0  
   53    54    57    61    66    69    70    71    72    67    58    55    56    60  
   54    57    61    66    69    77    58    59    55    56    60    62    64  
   57    61    66    67    75    77    78    58    59    55    56    60  
   56    60    62    63    64    65    57    58    66  
   60    62    64  
   61    66    69    67    68    73    75    76    77    78    79    58    59  
   59    61    77  
    0  
   62    63    64    65  
   66    69    70    71    72    67    68    73    74    75    77    78  
   63    64    65  
   64  
   65  
    0  
   69    70    71    72    67    68    73    77  
   68    73    74    75    76    77    69  
   73    74    75  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    66   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    61   469.000  1.400
   57    77   469.000  1.400
   61    66   469.000  1.400
   61    67   469.000  1.400
   66    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   67    68   300.000  1.725
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    62   317.000  1.522
   60    64   320.000  1.410
   62    63   570.000  1.229
   62    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
   64    65   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    62    63.00000  111.10000
   42    60    64    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    66    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    66    61    63.00000  120.00000
   52    66    69    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    61    63.00000  120.00000
   54    57    77    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    61    66    63.00000  120.00000
   57    61    67    63.00000  120.00000
   57    77    75    63.00000  120.00000
   57    77    78    70.00000  120.00000
   61    66    69    70.00000  120.00000
   61    67    68    75.00000  120.00000
   61    67    73    63.00000  120.00000
   66    52    53    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   67    61    66    63.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    75    63.00000  120.00000
   73    67    68    75.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    57    61    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    62    75.00000  107.99600
   55    60    64    90.00000  109.61100
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    62    63    80.00000  120.40000
   60    62    40    70.00000  116.00000
   60    64    65    55.00000  108.50000
   62    40    41    35.00000  109.50000
   62    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    62    63    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
   64    60    62    90.00000  109.61100
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    62  -0.09450  1.0 1.0
   34    33    40    62  -1.12950 -1.0 2.0
   34    33    40    62   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    62   0.11950  1.0 1.0
   38    33    40    62   0.20300 -1.0 2.0
   38    33    40    62  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42   -60    62   0.11950  1.0 1.0
   38    42   -60    62   0.20300 -1.0 2.0
   38    42   -60    62  -0.70800  1.0 3.0
   38    42    60    64  -0.09450  1.0 1.0
   38    42    60    64  -1.12950 -1.0 2.0
   38    42    60    64   0.54000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    66   0.04150 -1.0 2.0
   42    60    62    63   0.30150 -1.0 2.0
   42    60    62    40   0.60050  1.0 1.0
   42    60    62    40   0.05600 -1.0 2.0
   42    60    62    40   0.26150  1.0 3.0
   42    60    64    65  -0.11600  1.0 1.0
   42    60    64    65  -0.09450 -1.0 2.0
   42    60    64    65   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    62  -0.11250  1.0 3.0
   43    42    60    64   0.23400  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    62  -0.95700  1.0 1.0
   46    42    60    62  -0.18200 -1.0 2.0
   46    42    60    62   0.29450  1.0 3.0
   46    42    60    64   0.86500  1.0 1.0
   46    42    60    64  -0.17500 -1.0 2.0
   46    42    60    64   0.20800  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    66    61   3.62500 -1.0 2.0
   46    52    66    69   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    66   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    66   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    66    69    70   0.00000  1.0 1.0
   52    66    69    71   0.00000  1.0 1.0
   52    66    69    72   0.00000  1.0 1.0
   53    52    66    61   3.62500 -1.0 2.0
   53    52    66    69   3.62500 -1.0 2.0
   53    54   -57    61   3.62500 -1.0 2.0
   53    54    57    77   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    62   0.65300  1.0 1.0
   53    55    60    62  -0.03850 -1.0 2.0
   53    55    60    62   0.33900  1.0 3.0
   53    55    60    64   0.65300  1.0 1.0
   53    55    60    64  -0.03850 -1.0 2.0
   53    55    60    64   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    61    66   3.62500 -1.0 2.0
   54    57    61    67   3.62500 -1.0 2.0
   54    57    77    75   3.62500 -1.0 2.0
   54    57    77    78   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    61   -66    52   3.62500 -1.0 2.0
   57    61    66    69   3.62500 -1.0 2.0
   57    61    67    68   3.62500 -1.0 2.0
   57    61    67    73   3.62500 -1.0 2.0
   57    77    78    79   0.84100 -1.0 2.0
   61    57    77    75   3.62500 -1.0 2.0
   61    57    77    78   3.62500 -1.0 2.0
   61    66    69    70   0.00000  1.0 1.0
   61    66    69    71   0.00000  1.0 1.0
   61    66    69    72   0.00000  1.0 1.0
   61    67    73    74   3.62500 -1.0 2.0
   61    67   -73    75   3.62500 -1.0 2.0
   66    52   -53    54   3.62500 -1.0 2.0
   66    52    53    55   3.62500 -1.0 2.0
   66    61    67    68   3.62500 -1.0 2.0
   66    61    67    73   3.62500 -1.0 2.0
   67    61    66    52   3.62500 -1.0 2.0
   67    61    66    69   3.62500 -1.0 2.0
   67    73    75    76   3.62500 -1.0 2.0
   67    73    75    77   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    75   3.62500 -1.0 2.0
   73    75   -77    57   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    57   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    57    61    66   3.62500 -1.0 2.0
   77    57   -61    67   3.62500 -1.0 2.0
   58    54    57    61   3.62500 -1.0 2.0
   58    54    57    77   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    62    63   0.30150 -1.0 2.0
   55    60    62    40   0.65300  1.0 1.0
   55    60    62    40  -0.03850 -1.0 2.0
   55    60    62    40   0.33900  1.0 3.0
   55    60    64    65   0.91850  1.0 1.0
   55    60    64    65   0.57950  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    62   0.30150 -1.0 2.0
   56    55    60    64   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    62   -40    33   0.60050  1.0 1.0
   60    62   -40    33   0.05600 -1.0 2.0
   60    62   -40    33   0.26150  1.0 3.0
   60    62    40    41   0.00000  1.0 1.0
   60    62    40    44   0.65300  1.0 1.0
   60    62    40    44  -0.03850 -1.0 2.0
   60    62    40    44   0.33900  1.0 3.0
   62    60    64    65   0.91850  1.0 1.0
   62    60    64    65   0.57950  1.0 3.0
   62    40    44    45   0.30150 -1.0 2.0
   62    40    44    49   0.00000  1.0 1.0
   63    62    40    33   0.30150 -1.0 2.0
   63    62    40    41   0.00000  1.0 1.0
   63    62    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
   64    60    62    63   0.30150 -1.0 2.0
   64    60    62    40   0.55300  1.0 1.0
   64    60    62    40   1.25850 -1.0 2.0
   64    60    62    40  -0.23600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    66    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   61    77    57    54   4.00000 -1.0 2.0
   66    67    61    57   4.00000 -1.0 2.0
   61    69    66    52   4.00000 -1.0 2.0
   73    68    67    61   4.00000 -1.0 2.0
   75    74    73    67   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    57   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    62    63  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
