* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    149    240     448
    1     0 S   NP   _N1_     1    29.64573    91.64095   -23.91400
    2     1 S   H    _HN1     2     1.03015   104.43768    20.00649
    3     1 S   H    _H1_     3     1.02813     9.33189   128.58466
    4     1 S   H    _H2_     4     1.02783   100.94710   -92.05964
    5     1 S   CT   _CA1     5     1.50187   119.89211   144.31757
    6     5 S   HC   _HA1     6     1.09555   105.42529    57.98275
    7     5 S   CO3  _C1_     7     1.53828   112.19798   -62.57055
    8     7 S   O2Z  _O11     8     1.26365   115.07852   -48.22989
    9     7 S   O2Z  _O12     9     1.26241   114.88030   130.92033
   10     5 S   CT   _CB1    10     1.52873   107.08393   175.96342
   11    10 S   HC   HB11    11     1.09827   109.53264   -50.76710
   12    10 S   HC   HB12    12     1.09623   109.87727    65.56399
   13    10 S   CT   _CG1    13     1.52943   113.33926  -172.44368
   14    13 S   HC   HG11    14     1.09573   110.47742   -57.88423
   15    13 S   HC   HG12    15     1.09584   110.36178    61.72092
   16    13 S   C    _CD1    16     1.51735   111.29585  -178.10679
   17    16 S   O    _OE1    17     1.22790   123.05277   -13.01097
   18    16 S   N    _N2_    18     1.38585   112.17840   167.20872
   19    18 S   H    _HN2    19     1.01578   119.21958     4.62076
   20    18 S   CT1  _CA2    20     1.46019   122.91334  -177.27294
   21    20 S   HC   _HA2    21     1.09636   109.10813     6.47181
   22    20 S   C    _C2_    22     1.53535   109.76881  -109.02044
   23    22 S   O    _O2_    23     1.23103   121.96963  -151.43076
   24    20 S   CT   _CB2    32     1.53450   111.87214   128.04807
   25    24 S   HC   HB21    33     1.09661   109.59323    68.15605
   26    24 S   HC   HB22    34     1.09590   110.47621  -174.90215
   27    22 S   N    _N3_    24     1.38226   114.04731    36.07245
   28    27 S   H    _HN3    25     1.01572   119.68547    -3.55859
   29    24 S   S    _SG2    35     1.82978   115.65674   -51.84407
   30    27 S   CT   _CA3    26     1.45303   123.10975   176.92553
   31    30 S   HC   HA31    27     1.09553   107.54364   -63.44142
   32    30 S   HC   HA32    28     1.09559   107.93257    52.97073
   33    29 S   CT   _C20    36     1.82765   100.45122   -58.48658
   34    33 S   HC   _H3_    37     1.09736   107.90022   -48.43854
   35    33 S   HC   _H4_    38     1.09395   109.69218    65.39127
   36    30 S   CO3  _C3_    29     1.52936   114.14002   174.94937
   37    36 S   O2Z  _O31    30     1.26363   116.06040    -0.48739
   38    36 S   O2Z  _O32    31     1.26430   114.40947   179.56479
   39    33 S   CT   _C18    39     1.55936   115.18857  -170.56439
   40    39 S   CT   _C12    40     1.55514   107.93149    67.41768
   41    40 S   HC   _H33    41     1.09949   109.14016    43.29208
   42    40 S   HC   _H34    42     1.09772   110.71919   -71.64876
   43    39 S   CT   _C15    64     1.56782   114.36325   -56.37825
   44    43 S   HC   _H37    65     1.09971   106.87977    77.90455
   45    39 S   OH   _O22    78     1.43239   106.06083  -176.86862
   46    45 S   HO   _H45    79     0.97262   108.39500   -57.01843
   47    40 S   CT   _C16    43     1.52279   116.06364   163.10885
   48    47 S   HC   _H38    44     1.09923   109.04770   -63.48755
   49    47 S   CT   _C13    45     1.51894   114.58239    63.08936
   50    49 S   HC   _H35    46     1.09826   111.02945    43.94652
   51    49 S   CM   _C4_    47     1.49436    98.30795   155.61023
   52    49 S   CT   _C10    54     1.52748   111.06081   -79.97705
   53    52 S   HC   _H29    55     1.09739   109.06127  -151.64691
   54    52 S   HC   _H30    56     1.09766   109.73648   -36.13818
   55    51 S   CO4  _C5_    48     1.48174   107.75170   -28.69508
   56    55 S   O    _O18    49     1.21708   127.28543  -166.74191
   57    51 S   CM   _C7_    51     1.33555   130.93135   150.39098
   58    57 S   HC   _H25    52     1.08396   121.55404     1.07629
   59    57 S   HC   _H26    53     1.08554   121.50217  -179.42939
   60    52 S   CT   _C17    57     1.53840   113.17540    88.05182
   61    47 S   OS   _O20    50     1.43951   109.39485  -179.30395
   62    60 S   CM   _C6_    58     1.52073   114.48062  -163.38013
   63    60 S   OH   _O21    76     1.44392   106.59810    78.97258
   64    63 S   HO   _H44    77     0.97267   108.02063    66.31576
   65    62 S   CT   _C14    59     1.50427   110.53326   149.34097
   66    65 S   HC   _H36    60     1.09564   112.01064   124.36338
   67    62 S   CM   _C8_    73     1.34098   126.66428   -30.14234
   68    67 S   HC   _H27    74     1.08397   121.88881    -0.67289
   69    67 S   HC   _H28    75     1.08533   120.88458   179.74589
   70    65 S   CT   _C11    61     1.52456   103.38617     5.92056
   71    70 S   HC   _H31    62     1.09913   108.91197    88.57080
   72    70 S   HC   _H32    63     1.08940   112.11827  -154.09988
   73    65 S   OS   _O23    66     1.43716   109.60555  -109.92195
   74    73 S   CO4  _C9_    67     1.36104   117.99151  -116.94025
   75    74 S   O    _O19    68     1.22363   126.73427     0.01978
   76    74 S   CT   _C19    69     1.49873   109.37888   178.70684
   77    76 S   HC   _H39    70     1.09256   109.65949   -72.25699
   78    76 S   HC   _H40    71     1.09369   109.33590   168.03379
   79    76 S   HC   _H41    72     1.09310   110.12315    49.44602
  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
  13   5   4   2   1   1  19  16   7   6  19   9   4   1  12   6
  14   8  10  12   4   3   5   2   3   1   1  12   1  12   4   1
  11   6   4   1   1   4   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    60    70    43    44    45    46  
   35    39    40    43    45  
   39    40    43    45  
   37    38  
   38  
    0  
   40    41    42    47    48    49    61    52    60    62    65    70    71    72    43    44    63    45    46  
   41    42    47    48    49    50    51    55    61    52    60    70    43    44    45    46  
   42    47    48    49    61    43    45  
   47    48    49    61    43    45  
   44    73    67    63    64    45    46    47    49    52    53    54    60    62    65    66    70    71    72  
   63    45    52    60    62    65    70    71    72  
   46    47    60    70  
    0  
   48    49    50    51    55    56    61    57    52    53    54    60  
   49    50    51    55    61    52  
   50    51    55    56    61    57    58    59    52    53    54    60    62    63  
   51    55    61    57    52    53    54    60  
   55    56    61    57    58    59    52    53    54    60  
   53    54    60    62    65    70    67    63    64    55    57    61  
   54    60    62    63  
   60    62    63  
   56    61    57    58    59  
   61    57  
   58    59    61  
   59  
    0  
   62    65    66    70    71    72    73    67    68    69    63    64  
    0  
   65    66    70    71    72    73    74    67    68    69    63    64  
   64    65    67    70  
    0  
   66    70    71    72    73    74    75    76    67    68    69  
   70    71    72    73    74    67  
   68    69    70    73  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   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   0.047500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    43   268.000  1.529
   39    45   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    61   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   268.000  1.529
   51    55   320.000  1.462
   51    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    62   317.000  1.510
   60    43   268.000  1.529
   60    63   320.000  1.410
   62    65   317.000  1.510
   62    67   549.000  1.340
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    43   268.000  1.529
   43    44   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   553.000  0.945
   45    46   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    58.35000  112.70000
   33    39    43    58.35000  112.70000
   33    39    45    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    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    47    58.35000  112.70000
   39    43    60    58.35000  112.70000
   39    43    70    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    45    46    55.00000  108.50000
   40    47    48    37.50000  110.70000
   40    47    49    58.35000  112.70000
   40    47    61    50.00000  109.50000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    70.00000  112.02700
   47    49    52    58.35000  112.70000
   47    61    55    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    51    55    65.00000  116.34900
   49    51    57    70.00000  124.00000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    60    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    55    56    80.00000  123.72100
   51    55    61    90.00000  111.29400
   51    57    58    35.00000  120.00000
   51    57    59    35.00000  120.00000
   61    47    48    35.00000  109.50000
   61    47    49    50.00000  109.50000
   61    55    56    83.00000  123.40000
   57    51    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.02700
   52    60    62    70.00000  112.02700
   52    60    43    58.35000  112.70000
   52    60    63    50.00000  109.50000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    62    65    65.00000  117.92700
   60    62    67    70.00000  124.00000
   60    43    70    58.35000  112.70000
   60    43    44    37.50000  110.70000
   60    63    64    55.00000  108.50000
   62    65    66    35.00000  109.50000
   62    65    70    70.00000  112.02700
   62    65    73    85.00000  110.90400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    43    58.35000  112.70000
   65    73    74    83.00000  116.90000
   70    65    66    37.50000  110.70000
   70    43    44    37.50000  110.70000
   72    70    71    33.00000  107.80000
   43    39    40    58.35000  112.70000
   43    60    62    70.00000  112.02700
   43    70    71    37.50000  110.70000
   43    70    72    37.50000  110.70000
   73    65    66    35.00000  109.50000
   73    65    70    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    62    65    70.00000  124.00000
   69    67    68    35.00000  117.00000
   63    60    62    90.00000  110.39200
   63    60    43    50.00000  109.50000
   45    39    40    50.00000  109.50000
   45    39    43    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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    47   0.56750  1.0 1.0
   33    39    40    47  -0.07550 -1.0 2.0
   33    39    40    47   0.20000  1.0 3.0
   33    39    43    60   0.56750  1.0 1.0
   33    39    43    60  -0.07550 -1.0 2.0
   33    39    43    60   0.20000  1.0 3.0
   33    39    43    70   0.56750  1.0 1.0
   33    39    43    70  -0.07550 -1.0 2.0
   33    39    43    70   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   35    33    39    45   0.23400  1.0 3.0
   39    40    47    48   0.15000  1.0 3.0
   39    40    47    49   0.56750  1.0 1.0
   39    40    47    49  -0.07550 -1.0 2.0
   39    40    47    49   0.20000  1.0 3.0
   39    40    47    61   0.62750  1.0 1.0
   39    40    47    61  -0.30950 -1.0 2.0
   39    40    47    61   0.27300  1.0 3.0
   40    39    43    60   0.56750  1.0 1.0
   40    39    43    60  -0.07550 -1.0 2.0
   40    39    43    60   0.20000  1.0 3.0
   40    39    43    70   0.56750  1.0 1.0
   40    39    43    70  -0.07550 -1.0 2.0
   40    39    43    70   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    45    46  -0.11600  1.0 1.0
   40    39    45    46  -0.09450 -1.0 2.0
   40    39    45    46   0.21250  1.0 3.0
   40    47    49    50   0.15000  1.0 3.0
   40    47    49    51   0.34400  1.0 1.0
   40    47    49    51   0.09450 -1.0 2.0
   40    47    49    51   0.11100  1.0 3.0
   40    47    49    52   0.56750  1.0 1.0
   40    47    49    52  -0.07550 -1.0 2.0
   40    47    49    52   0.20000  1.0 3.0
   40    47    61    55  -0.25900  1.0 1.0
   40    47    61    55  -0.47000 -1.0 2.0
   40    47    61    55   0.11750  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    61   0.23400  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    61   0.23400  1.0 3.0
   47    49   -51    55   0.09700  1.0 1.0
   47    49   -51    55   0.15600 -1.0 2.0
   47    49   -51    55  -0.50800  1.0 3.0
   47    49    51    57   0.09850  1.0 1.0
   47    49    51    57   0.15250 -1.0 2.0
   47    49    51    57  -0.50650  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    60   0.56750  1.0 1.0
   47    49    52    60  -0.07550 -1.0 2.0
   47    49    52    60   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    61    55   0.08050  1.0 3.0
   49    47   -61    55  -0.25900  1.0 1.0
   49    47   -61    55  -0.47000 -1.0 2.0
   49    47   -61    55   0.11750  1.0 3.0
   49    51    55    56  -0.64400  1.0 1.0
   49    51    55    56   0.26850 -1.0 2.0
   49    51   -55    61  -0.15000  1.0 1.0
   49    51   -55    61   0.89550 -1.0 2.0
   49    51   -55    61  -0.06900  1.0 3.0
   49    51    57    58   7.00000 -1.0 2.0
   49    51    57    59   7.00000 -1.0 2.0
   49    52    60    62   0.34400  1.0 1.0
   49    52    60    62   0.09450 -1.0 2.0
   49    52    60    62   0.11100  1.0 3.0
   49    52    60    43   0.56750  1.0 1.0
   49    52    60    43  -0.07550 -1.0 2.0
   49    52    60    43   0.20000  1.0 3.0
   49    52    60    63   0.86500  1.0 1.0
   49    52    60    63  -0.17500 -1.0 2.0
   49    52    60    63   0.20800  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.00000  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    60   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    60   0.34400  1.0 1.0
   51    49    52    60   0.09450 -1.0 2.0
   51    49    52    60   0.11100  1.0 3.0
   51    55   -61    47   2.00000 -1.0 2.0
   55    51    57    58   7.00000 -1.0 2.0
   55    51    57    59   7.00000 -1.0 2.0
   56    55    61    47   3.00000 -1.0 2.0
   61    47    49    50   0.23400  1.0 3.0
   61    47   -49    51   0.61850  1.0 1.0
   61    47   -49    51  -0.22750 -1.0 2.0
   61    47   -49    51   0.15300  1.0 3.0
   61    47    49    52   0.62750  1.0 1.0
   61    47    49    52  -0.30950 -1.0 2.0
   61    47    49    52   0.27300  1.0 3.0
   57    51    55    56   1.00000 -1.0 2.0
   57    51    55    61  -0.56150  1.0 1.0
   57    51    55    61   2.19150 -1.0 2.0
   52    49    51    55   0.09700  1.0 1.0
   52    49    51    55   0.15600 -1.0 2.0
   52    49    51    55  -0.50800  1.0 3.0
   52    49    51    57   0.09850  1.0 1.0
   52    49    51    57   0.15250 -1.0 2.0
   52    49    51    57  -0.50650  1.0 3.0
   52    60    62    65   0.46850  1.0 1.0
   52    60    62    65   0.08550 -1.0 2.0
   52    60    62    65   0.09800  1.0 3.0
   52    60    62    67   0.09850  1.0 1.0
   52    60    62    67   0.15250 -1.0 2.0
   52    60    62    67  -0.50650  1.0 3.0
   52    60    43    39   0.56750  1.0 1.0
   52    60    43    39  -0.07550 -1.0 2.0
   52    60    43    39   0.20000  1.0 3.0
   52    60    43    70   0.56750  1.0 1.0
   52    60    43    70  -0.07550 -1.0 2.0
   52    60    43    70   0.20000  1.0 3.0
   52    60    43    44   0.15000  1.0 3.0
   52    60    63    64  -0.11600  1.0 1.0
   52    60    63    64  -0.09450 -1.0 2.0
   52    60    63    64   0.21250  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    43   0.15000  1.0 3.0
   53    52    60    63   0.23400  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   54    52    60    43   0.15000  1.0 3.0
   54    52    60    63   0.23400  1.0 3.0
   60    62    65    66   0.34800  1.0 3.0
   60    62   -65    70   0.46850  1.0 1.0
   60    62   -65    70   0.08550 -1.0 2.0
   60    62   -65    70   0.09800  1.0 3.0
   60    62    65    73   0.09700  1.0 1.0
   60    62    65    73   0.15600 -1.0 2.0
   60    62    65    73  -0.50800  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   62    60    43    39   0.34400  1.0 1.0
   62    60    43    39   0.09450 -1.0 2.0
   62    60    43    39   0.11100  1.0 3.0
   62    60   -43    70   0.34400  1.0 1.0
   62    60   -43    70   0.09450 -1.0 2.0
   62    60   -43    70   0.11100  1.0 3.0
   62    60    43    44   0.15000  1.0 3.0
   62    60    63    64  -0.07800  1.0 1.0
   62    60    63    64  -0.21500 -1.0 2.0
   62    60    63    64  -0.03150  1.0 3.0
   62    65    70    71   0.15000  1.0 3.0
   62    65    70    72   0.15000  1.0 3.0
   62    65   -70    43   0.34400  1.0 1.0
   62    65   -70    43   0.09450 -1.0 2.0
   62    65   -70    43   0.11100  1.0 3.0
   62    65    73    74  -0.82050  1.0 1.0
   62    65    73    74   0.00600 -1.0 2.0
   62    65    73    74   0.04400  1.0 3.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   65    70    43    39   0.56750  1.0 1.0
   65    70    43    39  -0.07550 -1.0 2.0
   65    70    43    39   0.20000  1.0 3.0
   65    70   -43    60   0.56750  1.0 1.0
   65    70   -43    60  -0.07550 -1.0 2.0
   65    70   -43    60   0.20000  1.0 3.0
   65    70    43    44   0.15000  1.0 3.0
   65    73    74    75   3.00000 -1.0 2.0
   65    73    74    76   1.63150  1.0 1.0
   65    73    74    76   2.92000 -1.0 2.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    43   0.15000  1.0 3.0
   66    65    73    74   0.08050  1.0 3.0
   70    65    73    74  -0.25900  1.0 1.0
   70    65    73    74  -0.47000 -1.0 2.0
   70    65    73    74   0.11750  1.0 3.0
   71    70    43    39   0.15000  1.0 3.0
   71    70    43    60   0.15000  1.0 3.0
   71    70    43    44   0.15000  1.0 3.0
   72    70    43    39   0.15000  1.0 3.0
   72    70    43    60   0.15000  1.0 3.0
   72    70    43    44   0.15000  1.0 3.0
   43    39    40    41   0.15000  1.0 3.0
   43    39    40    42   0.15000  1.0 3.0
   43    39    40    47   0.56750  1.0 1.0
   43    39    40    47  -0.07550 -1.0 2.0
   43    39    40    47   0.20000  1.0 3.0
   43    39    45    46  -0.11600  1.0 1.0
   43    39    45    46  -0.09450 -1.0 2.0
   43    39    45    46   0.21250  1.0 3.0
   43    60   -62    65   0.46850  1.0 1.0
   43    60   -62    65   0.08550 -1.0 2.0
   43    60   -62    65   0.09800  1.0 3.0
   43    60    62    67   0.09850  1.0 1.0
   43    60    62    67   0.15250 -1.0 2.0
   43    60    62    67  -0.50650  1.0 3.0
   43    60    63    64  -0.11600  1.0 1.0
   43    60    63    64  -0.09450 -1.0 2.0
   43    60    63    64   0.21250  1.0 3.0
   73    65    70    71   0.23400  1.0 3.0
   73    65    70    72   0.23400  1.0 3.0
   73    65    70    43   0.62750  1.0 1.0
   73    65    70    43  -0.30950 -1.0 2.0
   73    65    70    43   0.27300  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   67    62    65    66   0.00000  1.0 1.0
   67    62    65    70   0.09850  1.0 1.0
   67    62    65    70   0.15250 -1.0 2.0
   67    62    65    70  -0.50650  1.0 3.0
   67    62    65    73   0.39000  1.0 1.0
   67    62    65    73  -0.05800 -1.0 2.0
   67    62    65    73  -0.55150  1.0 3.0
   63    60    62    65   0.18000  1.0 1.0
   63    60    62    65   0.16450 -1.0 2.0
   63    60    62    65   0.04450  1.0 3.0
   63    60    62    67   0.67800  1.0 1.0
   63    60    62    67   0.47050 -1.0 2.0
   63    60    62    67  -0.62500  1.0 3.0
   63    60    43    39   0.86500  1.0 1.0
   63    60    43    39  -0.17500 -1.0 2.0
   63    60    43    39   0.20800  1.0 3.0
   63    60    43    70   0.86500  1.0 1.0
   63    60    43    70  -0.17500 -1.0 2.0
   63    60    43    70   0.20800  1.0 3.0
   63    60    43    44   0.23400  1.0 3.0
   45    39    40    41   0.23400  1.0 3.0
   45    39    40    42   0.23400  1.0 3.0
   45    39    40    47   0.86500  1.0 1.0
   45    39    40    47  -0.17500 -1.0 2.0
   45    39    40    47   0.20800  1.0 3.0
   45    39    43    60   0.86500  1.0 1.0
   45    39    43    60  -0.17500 -1.0 2.0
   45    39    43    60   0.20800  1.0 3.0
   45    39    43    70   0.86500  1.0 1.0
   45    39    43    70  -0.17500 -1.0 2.0
   45    39    43    70   0.20800  1.0 3.0
   45    39    43    44   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   49    55    51    57   1.10000 -1.0 2.0
   51    61    55    56  10.50000 -1.0 2.0
   58    59    57    51   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
END
