* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    29.10499    94.62371   -18.39800
    2     1 S   H    _HN1     2     1.02773    79.07764   -62.40266
    3     1 S   H    _H1_     3     1.02952    99.28929    44.75141
    4     1 S   H    _H2_     4     1.02838    34.55192   151.18036
    5     1 S   CT   _CA1     5     1.50243   141.54444  -174.72645
    6     5 S   HC   _HA1     6     1.09569   105.08454    39.30012
    7     5 S   CO3  _C1_     7     1.53865   112.43823   -80.60216
    8     7 S   O2Z  _O11     8     1.26391   114.95350   -35.18853
    9     7 S   O2Z  _O12     9     1.26248   114.98843   143.56520
   10     5 S   CT   _CB1    10     1.53098   107.36585   157.27974
   11    10 S   HC   HB11    11     1.09814   109.30387   -46.75192
   12    10 S   HC   HB12    12     1.09818   110.39157    69.78981
   13    10 S   CT   _CG1    13     1.53046   112.82582  -167.81231
   14    13 S   HC   HG11    14     1.09424   110.57013   -62.84652
   15    13 S   HC   HG12    15     1.09650   110.06162    56.06532
   16    13 S   C    _CD1    16     1.51862   112.13299   175.60435
   17    16 S   O    _OE1    17     1.22766   123.00777   -16.27013
   18    16 S   N    _N2_    18     1.38567   111.95740   165.46135
   19    18 S   H    _HN2    19     1.01616   119.07225    -2.68256
   20    18 S   CT1  _CA2    20     1.46258   123.46538   177.53701
   21    20 S   HC   _HA2    21     1.09749   109.20117   -15.59929
   22    20 S   C    _C2_    22     1.53500   108.32287  -130.96261
   23    22 S   O    _O2_    23     1.23018   122.26472  -147.71171
   24    20 S   CT   _CB2    32     1.53444   111.68518   106.68094
   25    24 S   HC   HB21    33     1.09261   109.72002    55.67772
   26    24 S   HC   HB22    34     1.09538   110.32419   173.26734
   27    22 S   N    _N3_    24     1.38526   113.38092    39.87008
   28    27 S   H    _HN3    25     1.01526   118.87902    -0.84465
   29    24 S   S    _SG2    35     1.83117   111.42704   -68.73053
   30    27 S   CT   _CA3    26     1.45453   123.52771   175.05129
   31    30 S   HC   HA31    27     1.09518   109.30207    22.86701
   32    30 S   HC   HA32    28     1.09497   107.09608   139.88427
   33    29 S   CT   _C21    36     1.89315   102.44622   136.15817
   34    30 S   CO3  _C3_    29     1.52925   113.11213  -100.65972
   35    34 S   O2Z  _O31    30     1.26405   115.42510   -43.84706
   36    34 S   O2Z  _O32    31     1.26359   114.97671   137.10083
   37    33 S   CO4  _C22    37     1.54634   104.68180   -71.72896
   38    37 S   O    _O37    38     1.23595   121.76442    80.57903
   39    33 S   CT   _C20    70     1.56403   107.23285   168.04427
   40    39 S   OM   _O39    71     1.32426   110.46091  -175.51197
   41    39 S   HC   _H4_    72     1.10109   107.17815   -44.46752
   42    33 S   C    _C23    75     1.55039   107.11929    49.07265
   43    42 S   O    _O38    76     1.23047   123.32776  -121.32319
   44    37 S   CT   _C16    39     1.52917   118.69916   -98.24281
   45    42 S   N    _N4_    77     1.37813   115.27033    59.54031
   46    45 S   H    _H14    78     1.01382   122.31033    -1.25507
   47    45 S   H    _H15    79     1.01345   120.39688   179.07634
   48    44 S   CO4  _C15    40     1.51950   113.63150   -98.36680
   49    48 S   O    _O35    41     1.23054   120.41670   -32.78074
   50    44 S   OH   _O40    73     1.43307   105.69327   148.78176
   51    50 S   HO   _H16    74     0.97450   107.86285    56.48732
   52    48 S   CA   _C7_    42     1.50030   119.56008   150.10364
   53    52 S   CA   _C6_    43     1.39730   119.80547     7.16462
   54    53 S   CA   _C5_    44     1.42548   119.38223   174.63860
   55    53 S   CT   _C18    63     1.51583   120.06401    -3.45661
   56    55 S   HC   _H12    64     1.09716   108.19354    94.60888
   57    55 S   HC   _H13    65     1.09615   110.19889  -148.41254
   58    54 S   CA   _C10    45     1.45099   121.71056     9.96599
   59    54 S   CT   _C4_    59     1.51719   117.28582  -168.12383
   60    59 S   HC   _H5_    60     1.09343   110.70970   -97.41888
   61    59 S   HC   _H6_    61     1.09428   112.50763    23.76965
   62    59 S   HC   _H7_    62     1.09372   110.77679   138.37557
   63    44 S   CT   _C17    66     1.51468   112.17003    31.53678
   64    63 S   HC   _H3_    67     1.09902   109.19635    63.00791
   65    58 S   CA   _C9_    46     1.42933   117.18216   -10.29381
   66    63 S   CO4  _C19    68     1.53071   112.71084   -53.73347
   67    66 S   O    _O36    69     1.23599   120.74011  -155.76333
   68    65 S   CA   _C14    47     1.42991   118.65448  -175.37789
   69    52 S   CA   _C8_    56     1.40591   120.97368  -174.42997
   70    68 S   CA   _C13    48     1.39060   123.01414    -1.90629
   71    70 S   HA   _H9_    49     1.08589   121.43959  -179.82417
   72    68 S   OH   _O33    54     1.37615   120.46045   178.09258
   73    72 S   HO   _H10    55     0.97150   109.67411   179.47511
   74    69 S   OH   _O34    57     1.37858   119.91850     1.37316
   75    74 S   HO   _H11    58     0.97218   110.13339    -0.11364
   76    70 S   CA   _C12    50     1.37637   119.02633    -1.52290
   77    76 S   HA   _H8_    51     1.08773   118.81356  -177.19928
   78    58 S   CA   _C11    52     1.44414   126.68906   169.47456
   79    78 S   Cl   Cl1_    53     1.74025   124.26269    -9.58431
  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  11   5   4   3
  16   2   1   1  17   6  11   5   4   6   3  14   2   1   1  13
   5   6   1  13  16  15   9   4   3  14   5   2   1   1   3   2
  11   1   1   9   5   7   4   2   1   1   1   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    66    39    40    41    42    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    63    66    67    39    40    41    50    42    43    45    46    47  
   35    36  
   36  
    0  
   38    44    48    49    52    55    63    64    66    39    40    41    50    51    42    43    45  
   44    48    63    39    50    42  
   40    41    42    43    45    44    55    63    64    66    67  
   41    42    63    66    67  
   42    63    66    67  
   43    45    46    47    44    66  
   45    46    47  
   48    49    52    53    69    55    56    57    63    64    66    67    50    51  
   46    47  
   47  
    0  
   49    52    53    54    65    69    74    55    63    64    66    50    51  
   52    53    69    63    50  
   51    52    55    63    64    66  
   63  
   53    54    58    65    68    69    74    75    59    55    56    57    63  
   54    58    65    78    69    74    59    60    61    62    55    56    57    63    64    66  
   58    65    68    76    78    79    69    59    60    61    62    55    56    57    63  
   56    57    63    64    66    67    58    59    69  
   57    63    64    66  
   63    64    66  
   65    68    70    76    77    78    79    72    69    74    59    60    61    62  
   60    61    62    65    78  
   61    62  
   62  
    0  
   64    66    67  
   66    67  
   68    70    71    76    78    79    72    73    69    74    75  
   67  
    0  
   70    71    76    77    78    72    73    69    74  
   74    75    70    72    78  
   71    76    77    78    79    72    73  
   76    77    78    72  
   73    76  
    0  
   75  
    0  
   77    78    79  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    48   317.000  1.522
   44    63   268.000  1.529
   44    50   320.000  1.410
   48    49   570.000  1.229
   48    52   310.000  1.470
   52    53   469.000  1.400
   52    69   469.000  1.400
   53    54   469.000  1.400
   53    55   317.000  1.510
   54    58   469.000  1.400
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    78   469.000  1.400
   65    68   469.000  1.400
   65    69   469.000  1.400
   68    70   469.000  1.400
   68    72   450.000  1.364
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   300.000  1.725
   72    73   553.000  0.945
   69    74   450.000  1.364
   74    75   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   50    51   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    66    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    45    70.00000  116.60000
   37    44    48    75.00000  107.99600
   37    44    63    63.00000  111.10000
   37    44    50    90.00000  109.61100
   44    37    38    80.00000  120.40000
   44    48    49    80.00000  120.40000
   44    48    52    65.00000  115.47100
   44    63    55    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    63    66    63.00000  111.10000
   44    50    51    55.00000  108.50000
   48    52    53    60.00000  119.52600
   48    52    69    60.00000  119.52600
   52    48    49    75.00000  123.78400
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.00000
   52    69    65    63.00000  120.00000
   52    69    74    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.17500
   54    58    65    63.00000  120.00000
   54    58    78    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    68    63.00000  120.00000
   58    65    69    63.00000  120.00000
   58    78    76    63.00000  120.00000
   58    78    79    75.00000  120.00000
   65    68    70    63.00000  120.00000
   65    68    72    70.00000  120.00000
   65    69    74    70.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    76    63.00000  120.00000
   68    72    73    35.00000  113.00000
   70    76    77    35.00000  120.00000
   70    76    78    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    78    79    75.00000  120.00000
   78    58    65    63.00000  120.00000
   78    76    77    35.00000  120.00000
   72    68    70    70.00000  120.00000
   69    52    53    63.00000  120.00000
   69    65    68    63.00000  120.00000
   69    74    75    35.00000  113.00000
   59    54    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    66    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    44    48    63.00000  111.10000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    67    80.00000  120.40000
   63    66    39    70.00000  116.00000
   66    63    64    35.00000  109.50000
   66    39    40    90.00000  108.74100
   66    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   41    39    40    45.00000  125.66300
   50    44    48    90.00000  109.61100
   50    44    63    50.00000  109.50000
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    45   0.00000  1.0 1.0
   33    37    44    48   0.65300  1.0 1.0
   33    37    44    48  -0.03850 -1.0 2.0
   33    37    44    48   0.33900  1.0 3.0
   33    37    44    63   0.60050  1.0 1.0
   33    37    44    63   0.05600 -1.0 2.0
   33    37    44    63   0.26150  1.0 3.0
   33    37    44    50   0.55300  1.0 1.0
   33    37    44    50   1.25850 -1.0 2.0
   33    37    44    50  -0.23600  1.0 3.0
   33    42    45    46   2.45000 -1.0 2.0
   33    42    45    47   2.45000 -1.0 2.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    45   0.00000  1.0 1.0
   37    44    48    49   0.30150 -1.0 2.0
   37    44    48    52   0.65300  1.0 1.0
   37    44    48    52  -0.03850 -1.0 2.0
   37    44    48    52   0.33900  1.0 3.0
   37    44    63    55  -0.95700  1.0 1.0
   37    44    63    55  -0.18200 -1.0 2.0
   37    44    63    55   0.29450  1.0 3.0
   37    44    63    64  -0.11250  1.0 3.0
   37    44   -63    66   0.11950  1.0 1.0
   37    44   -63    66   0.20300 -1.0 2.0
   37    44   -63    66  -0.70800  1.0 3.0
   37    44    50    51   0.91850  1.0 1.0
   37    44    50    51   0.57950  1.0 3.0
   38    37    44    48   0.30150 -1.0 2.0
   38    37    44    63   0.30150 -1.0 2.0
   38    37    44    50   0.30150 -1.0 2.0
   44    48    52    53   2.26350  1.0 1.0
   44    48    52    53   0.76750 -1.0 2.0
   44    48    52    53   0.22500  1.0 3.0
   44    48    52    69   2.26350  1.0 1.0
   44    48    52    69   0.76750 -1.0 2.0
   44    48    52    69   0.22500  1.0 3.0
   44    63    66    67   0.30150 -1.0 2.0
   44    63    66    39   0.60050  1.0 1.0
   44    63    66    39   0.05600 -1.0 2.0
   44    63    66    39   0.26150  1.0 3.0
   48    44    63    55  -0.95700  1.0 1.0
   48    44    63    55  -0.18200 -1.0 2.0
   48    44    63    55   0.29450  1.0 3.0
   48    44    63    64  -0.11250  1.0 3.0
   48    44    63    66   0.11950  1.0 1.0
   48    44    63    66   0.20300 -1.0 2.0
   48    44    63    66  -0.70800  1.0 3.0
   48    44    50    51   0.91850  1.0 1.0
   48    44    50    51   0.57950  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52   -53    55   3.62500 -1.0 2.0
   48    52    69    65   3.62500 -1.0 2.0
   48    52    69    74   3.62500 -1.0 2.0
   49    48    52    53   1.05000 -1.0 2.0
   49    48    52    69   1.05000 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    54    59   3.62500 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.04150 -1.0 2.0
   52    69    74    75   0.84100 -1.0 2.0
   53    52    69    65   3.62500 -1.0 2.0
   53    52    69    74   3.62500 -1.0 2.0
   53    54   -58    65   3.62500 -1.0 2.0
   53    54    58    78   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    44  -0.03700  1.0 1.0
   53    55   -63    44   0.37200 -1.0 2.0
   53    55   -63    44  -0.47300  1.0 3.0
   53    55    63    64   0.43200  1.0 3.0
   53    55    63    66   0.56750  1.0 1.0
   53    55    63    66  -0.07550 -1.0 2.0
   53    55    63    66   0.20000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.04150 -1.0 2.0
   54    58    65    68   3.62500 -1.0 2.0
   54    58    65    69   3.62500 -1.0 2.0
   54    58    78    76   3.62500 -1.0 2.0
   54    58    78    79   3.62500 -1.0 2.0
   58    54    59    60   0.00000  1.0 1.0
   58    54    59    61   0.00000  1.0 1.0
   58    54    59    62   0.00000  1.0 1.0
   58    65    68    70   3.62500 -1.0 2.0
   58    65    68    72   3.62500 -1.0 2.0
   58    65   -69    52   3.62500 -1.0 2.0
   58    65    69    74   3.62500 -1.0 2.0
   65    58    78    76   3.62500 -1.0 2.0
   65    58    78    79   3.62500 -1.0 2.0
   65    68    70    71   3.62500 -1.0 2.0
   65    68   -70    76   3.62500 -1.0 2.0
   65    68    72    73   0.84100 -1.0 2.0
   65    69    74    75   0.84100 -1.0 2.0
   68    65    69    52   3.62500 -1.0 2.0
   68    65    69    74   3.62500 -1.0 2.0
   68    70    76    77   3.62500 -1.0 2.0
   68    70    76    78   3.62500 -1.0 2.0
   70    68    72    73   0.84100 -1.0 2.0
   70    76   -78    58   3.62500 -1.0 2.0
   70    76    78    79   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    78   3.62500 -1.0 2.0
   77    76    78    58   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    58   -65    68   3.62500 -1.0 2.0
   78    58    65    69   3.62500 -1.0 2.0
   72    68    70    71   3.62500 -1.0 2.0
   72    68    70    76   3.62500 -1.0 2.0
   69    52   -53    54   3.62500 -1.0 2.0
   69    52    53    55   3.62500 -1.0 2.0
   69    65    68    70   3.62500 -1.0 2.0
   69    65    68    72   3.62500 -1.0 2.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    78   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   55    63    66    67   0.30150 -1.0 2.0
   55    63    66    39   0.60050  1.0 1.0
   55    63    66    39   0.05600 -1.0 2.0
   55    63    66    39   0.26150  1.0 3.0
   56    55    63    44   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66  -0.11250  1.0 3.0
   57    55    63    44   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66  -0.11250  1.0 3.0
   63    44    48    49   0.30150 -1.0 2.0
   63    44   -48    52   0.05850 -1.0 2.0
   63    44   -48    52   0.17250  1.0 3.0
   63    44    50    51  -0.11600  1.0 1.0
   63    44    50    51  -0.09450 -1.0 2.0
   63    44    50    51   0.21250  1.0 3.0
   63    66   -39    33   0.60050  1.0 1.0
   63    66   -39    33   0.05600 -1.0 2.0
   63    66   -39    33   0.26150  1.0 3.0
   63    66    39    40   0.55300  1.0 1.0
   63    66    39    40   1.25850 -1.0 2.0
   63    66    39    40  -0.23600  1.0 3.0
   63    66    39    41   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    39   0.00000  1.0 1.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.30150 -1.0 2.0
   67    66    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    45   1.39750  1.0 1.0
   39    33    42    45  -0.07950 -1.0 2.0
   39    33    42    45  -0.18750  1.0 3.0
   50    44    48    49   0.30150 -1.0 2.0
   50    44    48    52   0.65300  1.0 1.0
   50    44    48    52  -0.03850 -1.0 2.0
   50    44    48    52   0.33900  1.0 3.0
   50    44    63    55   0.86500  1.0 1.0
   50    44    63    55  -0.17500 -1.0 2.0
   50    44    63    55   0.20800  1.0 3.0
   50    44    63    64   0.23400  1.0 3.0
   50    44    63    66  -0.09450  1.0 1.0
   50    44    63    66  -1.12950 -1.0 2.0
   50    44    63    66   0.54000  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    66   0.11950  1.0 1.0
   42    33    39    66   0.20300 -1.0 2.0
   42    33    39    66  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
   53    69    52    48   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   58    59    54    53   4.00000 -1.0 2.0
   65    78    58    54   4.00000 -1.0 2.0
   68    69    65    58   4.00000 -1.0 2.0
   70    72    68    65   4.00000 -1.0 2.0
   76    71    70    68   1.10000 -1.0 2.0
   78    77    76    70   1.10000 -1.0 2.0
   76    79    78    58   4.00000 -1.0 2.0
   65    74    69    52   4.00000 -1.0 2.0
   63    39    66    67  10.50000 -1.0 2.0
   33    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
