* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    141    208     405
    1     0 S   NP   _N1_     1    28.85187    95.20777   -24.73732
    2     1 S   H    _HN1     2     1.02796   112.79097  -112.29762
    3     1 S   H    _H1_     3     1.02946    85.68494    -4.15718
    4     1 S   H    _H2_     4     1.02826    21.69063   166.61303
    5     1 S   CT   _CA1     5     1.50134   123.47337   107.52246
    6     5 S   HC   _HA1     6     1.09573   105.14659    79.08914
    7     5 S   CO3  _C1_     7     1.53761   112.48219   -41.10821
    8     7 S   O2Z  _O11     8     1.26379   114.99856   -41.96702
    9     7 S   O2Z  _O12     9     1.26234   114.94029   137.00818
   10     5 S   CT   _CB1    10     1.53053   107.40066  -162.93555
   11    10 S   HC   HB11    11     1.09845   109.31248   -49.14069
   12    10 S   HC   HB12    12     1.09810   110.48058    67.44505
   13    10 S   CT   _CG1    13     1.53037   112.66613  -170.06079
   14    13 S   HC   HG11    14     1.09563   110.77533   -68.14064
   15    13 S   HC   HG12    15     1.09667   109.66554    51.11899
   16    13 S   C    _CD1    16     1.51816   111.86517   171.63172
   17    16 S   O    _OE1    17     1.22769   123.12378    14.88438
   18    16 S   N    _N2_    18     1.38650   111.92370  -165.13352
   19    18 S   H    _HN2    19     1.01573   118.99837     0.78084
   20    18 S   CT1  _CA2    20     1.46216   123.32375   176.11617
   21    20 S   HC   _HA2    21     1.09743   109.25860     8.29825
   22    20 S   C    _C2_    22     1.53712   108.87030  -107.18713
   23    22 S   O    _O2_    23     1.23088   122.20559  -148.82944
   24    20 S   CT   _CB2    32     1.53456   111.77865   130.29077
   25    24 S   HC   HB21    33     1.09525   109.69462    56.87178
   26    24 S   HC   HB22    34     1.09386   109.61735   175.77395
   27    22 S   N    _N3_    24     1.38295   113.89916    38.64303
   28    27 S   H    _HN3    25     1.01537   119.61706    -3.12568
   29    24 S   S    _SG2    35     1.82750   111.26947   -63.72830
   30    27 S   CT   _CA3    26     1.45283   123.33764   177.27322
   31    30 S   HC   HA31    27     1.09546   107.49964   -65.25691
   32    30 S   HC   HA32    28     1.09554   108.02360    51.22109
   33    29 S   CT   _C11    36     1.87302   101.99834  -171.58880
   34    30 S   CO3  _C3_    29     1.52991   113.99849   173.22277
   35    34 S   O2Z  _O31    30     1.26391   116.06317    -0.67926
   36    34 S   O2Z  _O32    31     1.26420   114.42485   179.38483
   37    33 S   CM   _C7_    37     1.56259   108.67463  -164.90079
   38    33 S   CT   _C12    76     1.54392   112.63961   -40.79627
   39    38 S   HC   _H10    77     1.09696   111.89611    72.28472
   40    38 S   HC   _H11    78     1.09373   113.39925   -48.97407
   41    38 S   HC   _H12    79     1.09751   110.57624  -169.89362
   42    37 S   CT   _C8_    38     1.55897   117.64626  -117.90701
   43    42 S   HC   _H3_    39     1.09698   103.91448  -129.66910
   44    37 S   CMA  _C6_    66     1.37969   122.79278    66.17778
   45    44 S   OM   _O36    67     1.26965   125.75495    -0.98675
   46    42 S   CA   _C16    40     1.53935   113.04182   111.33625
   47    42 S   CM   _C9_    51     1.51406   115.07467   -16.15341
   48    44 S   OS   _O33    68     1.42335   111.77858   178.45136
   49    46 S   CA   _C17    41     1.40926   118.85896   -54.13925
   50    49 S   HA   _H19    42     1.08592   120.54497    -0.41496
   51    47 S   CM   _C10    52     1.34167   122.48500    19.28572
   52    47 S   CO4  _C14    59     1.47935   117.49667  -162.90623
   53    52 S   O    _O34    60     1.22120   124.13819  -108.39136
   54    48 S   CT   _C5_    69     1.43259   115.43413   156.70494
   55    54 S   HC   _H7_    70     1.09655   110.36616   -53.42900
   56    54 S   HC   _H8_    71     1.09605   109.99426    68.02217
   57    49 S   CA   _C18    43     1.39389   121.56695  -179.95154
   58    57 S   HA   _H20    44     1.08631   119.90448  -179.52030
   59    33 S   NE   _N4_    53     1.45985   105.63185    74.36444
   60    59 S   H    _H9_    54     1.01479   116.18444   -54.01928
   61    51 S   CT   _C13    55     1.50622   125.02694   177.19879
   62    61 S   HC   _H13    56     1.09592   110.05199   128.25839
   63    61 S   HC   _H14    57     1.09297   113.71271     8.54312
   64    61 S   HC   _H15    58     1.09522   110.03751  -112.59432
   65    52 S   OS   _O35    61     1.35804   108.40169    71.84915
   66    54 S   CT   _C4_    72     1.51735   108.44180  -172.86837
   67    66 S   HC   _H4_    73     1.09482   110.74564   -56.51805
   68    66 S   HC   _H5_    74     1.09430   110.61203    62.12274
   69    66 S   HC   _H6_    75     1.09367   110.80724  -177.48238
   70    57 S   CA   _C19    45     1.38883   119.97805     0.63520
   71    70 S   HA   _H21    46     1.08699   119.17138  -179.90513
   72    65 S   CT   _C15    62     1.42994   115.00425  -179.80021
   73    72 S   HC   _H16    63     1.09324   108.11501   178.09865
   74    72 S   HC   _H17    64     1.09431   110.43218    59.35854
   75    72 S   HC   _H18    65     1.09419   110.18793   -63.21559
   76    70 S   CA   _C20    47     1.39581   119.88338     0.64921
   77    76 S   Cl   Cl2_    48     1.73225   117.02637   179.34928
   78    46 S   CA   _C21    49     1.41454   123.17227   128.02532
   79    78 S   Cl   Cl1_    50     1.73846   120.76910     0.81829
  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  18   8   3   2   1  18   7   9   2  12  13   7
   8   4   9   8   2   6   5   4   6   3   5   1   3   2   1   1
   4   3   2   1   1   5   3   3   2   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    59    60    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    59    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    78    47    51    59    60    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    59    60  
   40    41    59  
   41    59  
   59  
   43    46    49    50    57    76    78    79    47    51    59    61    52    53    65    44    45    48  
   46    49    78    47    51    52    44  
   45    48    54    55    56    66    46    47    59  
   48    54  
   49    50    57    58    70    76    77    78    79    47    51    52  
   51    59    60    61    62    63    64    52    53    65    72    49    78  
   54    55    56    66    67    68    69  
   50    57    58    70    71    76    78    79  
   57    58    70    78  
   59    60    61    62    63    64    52    53    65  
   53    65    72    73    74    75    59    61  
   65    72  
   55    56    66    67    68    69  
   56    66    67    68    69  
   66    67    68    69  
   58    70    71    76    77    78  
   70    71    76  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   72    73    74    75  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    78    79  
   76    77    78  
   73    74    75  
   74    75  
   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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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  1.510
   33    59   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    78   469.000  1.400
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   300.000  1.725
   76    78   469.000  1.400
   78    79   300.000  1.725
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    59   425.000  1.378
   51    61   317.000  1.510
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   570.000  1.229
   52    65   214.000  1.327
   65    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    51    50.00000  121.00000
   33    59    60    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    78    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    57    63.00000  120.00000
   46    78    76    63.00000  120.00000
   46    78    79    75.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    70    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    70    71    35.00000  120.00000
   57    70    76    63.00000  120.00000
   70    57    58    35.00000  120.00000
   70    76    77    75.00000  120.00000
   70    76    78    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    78    79    75.00000  120.00000
   78    46    49    63.00000  120.00000
   78    76    77    75.00000  120.00000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    59    70.00000  124.03900
   47    51    61    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    65    90.00000  111.29400
   51    59    60    35.00000  114.50000
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   59    33    37    80.00000  112.42400
   61    51    59    75.00000  116.24600
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    65    72    83.00000  116.90000
   65    52    53    83.00000  123.40000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    66    50.00000  109.50000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    69    37.50000  110.70000
   56    54    55    33.00000  107.80000
   66    54    55    37.50000  110.70000
   66    54    56    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    59    51  -0.12500  1.0 1.0
   29    33    59    51  -0.12500 -1.0 2.0
   29    33    59    51   0.25000  1.0 3.0
   29    33    59    60  -0.12500  1.0 1.0
   29    33    59    60  -0.12500 -1.0 2.0
   29    33    59    60   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    59    51  -0.12500  1.0 1.0
   37    33    59    51  -0.12500 -1.0 2.0
   37    33    59    51   0.25000  1.0 3.0
   37    33    59    60  -0.12500  1.0 1.0
   37    33    59    60  -0.12500 -1.0 2.0
   37    33    59    60   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    78   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    57   3.62500 -1.0 2.0
   42    46    78    76   3.62500 -1.0 2.0
   42    46    78    79   3.62500 -1.0 2.0
   42    47    51    59   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    65  -0.15000  1.0 1.0
   42    47    52    65   0.89550 -1.0 2.0
   42    47    52    65  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    78   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    57    58   3.62500 -1.0 2.0
   46    49    57    70   3.62500 -1.0 2.0
   49    46    78    76   3.62500 -1.0 2.0
   49    46    78    79   3.62500 -1.0 2.0
   49    57    70    71   3.62500 -1.0 2.0
   49    57   -70    76   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    70   3.62500 -1.0 2.0
   57    70    76    77   3.62500 -1.0 2.0
   57    70    76    78   3.62500 -1.0 2.0
   58    57    70    71   3.62500 -1.0 2.0
   58    57    70    76   3.62500 -1.0 2.0
   70    76   -78    46   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    46   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    46    49    50   3.62500 -1.0 2.0
   78    46   -49    57   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    78   0.18050 -1.0 2.0
   47    51   -59    33  -0.54700  1.0 1.0
   47    51   -59    33   1.23000 -1.0 2.0
   47    51    59    60   1.00000 -1.0 2.0
   47    51    61    62   0.00000  1.0 1.0
   47    51    61    63   0.00000  1.0 1.0
   47    51    61    64   0.00000  1.0 1.0
   47    52    65    72   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    65  -0.56150  1.0 1.0
   51    47    52    65   2.19150 -1.0 2.0
   59    33   -37    42   0.09700  1.0 1.0
   59    33   -37    42   0.15600 -1.0 2.0
   59    33   -37    42  -0.50800  1.0 3.0
   59    33    37    44   0.62150  1.0 1.0
   59    33    37    44   0.42850 -1.0 2.0
   59    33    37    44  -0.68200  1.0 3.0
   59    33    38    39   0.22950  1.0 3.0
   59    33    38    40   0.22950  1.0 3.0
   59    33    38    41   0.22950  1.0 3.0
   59    51    61    62  -0.18050  1.0 3.0
   59    51    61    63  -0.18050  1.0 3.0
   59    51    61    64  -0.18050  1.0 3.0
   61    51    59    33   1.00000 -1.0 2.0
   61    51    59    60   2.40850 -1.0 2.0
   52    47    51    59   7.00000 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   52    65    72    73   0.08050  1.0 3.0
   52    65    72    74   0.08050  1.0 3.0
   52    65    72    75   0.08050  1.0 3.0
   53    52    65    72   3.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    66  -0.46850  1.0 1.0
   44    48    54    66   0.09300 -1.0 2.0
   44    48    54    66  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    66    67   0.23400  1.0 3.0
   48    54    66    68   0.23400  1.0 3.0
   48    54    66    69   0.23400  1.0 3.0
   55    54    66    67   0.15000  1.0 3.0
   55    54    66    68   0.15000  1.0 3.0
   55    54    66    69   0.15000  1.0 3.0
   56    54    66    67   0.15000  1.0 3.0
   56    54    66    68   0.15000  1.0 3.0
   56    54    66    69   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    59    51   0.25450  1.0 1.0
   38    33    59    51  -0.61700 -1.0 2.0
   38    33    59    51  -0.23550  1.0 3.0
   38    33    59    60   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    78    46    42   4.00000 -1.0 2.0
   57    50    49    46   1.10000 -1.0 2.0
   70    58    57    49   1.10000 -1.0 2.0
   76    71    70    57   1.10000 -1.0 2.0
   78    77    76    70   4.00000 -1.0 2.0
   76    79    78    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   61    59    51    47   1.10000 -1.0 2.0
   60    51    59    33   1.00000 -1.0 2.0
   47    65    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
