* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    150    242     449
    1     0 S   NP   _N1_     1    29.02685   100.53287   -20.94069
    2     1 S   H    _HN1     2     1.02833    60.18011   155.39124
    3     1 S   H    _H1_     3     1.02778    94.89507   -96.76122
    4     1 S   H    _H2_     4     1.02958    55.63863    12.14194
    5     1 S   CT   _CA1     5     1.50152   152.75007    78.16194
    6     5 S   HC   _HA1     6     1.09581   105.15999   123.92781
    7     5 S   CO3  _C1_     7     1.53695   112.39049     3.89088
    8     7 S   O2Z  _O11     8     1.26372   115.01374   -43.08963
    9     7 S   O2Z  _O12     9     1.26249   114.94524   135.86636
   10     5 S   CT   _CB1    10     1.53084   107.39301  -118.28289
   11    10 S   HC   HB11    11     1.09829   109.10544   -51.10134
   12    10 S   HC   HB12    12     1.09813   110.50904    65.38465
   13    10 S   CT   _CG1    13     1.53038   112.77634  -172.22691
   14    13 S   HC   HG11    14     1.09588   110.48233   -67.95007
   15    13 S   HC   HG12    15     1.09669   109.88453    51.22802
   16    13 S   C    _CD1    16     1.51904   112.28208   171.41373
   17    16 S   O    _OE1    17     1.22754   123.27821     2.66697
   18    16 S   N    _N2_    18     1.38562   111.75874  -177.13119
   19    18 S   H    _HN2    19     1.01562   118.84075     3.58861
   20    18 S   CT1  _CA2    20     1.45923   122.94114   175.81572
   21    20 S   HC   _HA2    21     1.09715   109.11527    22.01029
   22    20 S   C    _C2_    22     1.52903   106.78662   -95.05737
   23    22 S   O    _O2_    23     1.22983   122.97996   -27.94051
   24    20 S   CT   _CB2    32     1.53126   112.04804   145.46101
   25    24 S   HC   HB21    33     1.09507   109.85218    52.21731
   26    24 S   HC   HB22    34     1.09518   110.62153   171.17076
   27    22 S   N    _N3_    24     1.38476   112.59726   154.94577
   28    27 S   H    _HN3    25     1.01659   120.37991    -2.30834
   29    24 S   S    _SG2    35     1.82482   110.93296   -68.98863
   30    27 S   CT   _CA3    26     1.45365   122.47391   178.59250
   31    30 S   HC   HA31    27     1.09567   107.80272   -55.89650
   32    30 S   HC   HA32    28     1.09562   107.61598    60.43504
   33    29 S   CT   _C10    36     1.83611    99.53983   171.64499
   34    33 S   HC   _H7_    37     1.09956   105.05801    53.08256
   35    30 S   CO3  _C3_    29     1.52892   114.32957  -177.81108
   36    35 S   O2Z  _O31    30     1.26334   116.05230    -0.32264
   37    35 S   O2Z  _O32    31     1.26434   114.41311   179.63738
   38    33 S   CT   _C9_    38     1.54382   115.36991   -65.86762
   39    38 S   HC   _H6_    39     1.09540   112.71046    85.46004
   40    33 S   CT   _C11    50     1.56654   111.93520   173.66844
   41    40 S   OM   _O33    51     1.32414   109.20664  -108.12928
   42    40 S   HC   _H8_    52     1.09886   109.43568    22.11742
   43    38 S   CT   _C8_    40     1.53898   117.08534   -44.51485
   44    43 S   HC   _H15    41     1.09604   110.58311    69.84221
   45    43 S   HC   _H16    42     1.09907   109.09069  -175.65093
   46    43 S   CT   _C7_    43     1.53904   113.39257   -54.05830
   47    46 S   HC   _H5_    44     1.09601   110.10001    79.93665
   48    46 S   CT   _C6_    45     1.53921   112.24999   -40.58972
   49    48 S   HC   _H13    46     1.09845   109.68906   -81.19143
   50    48 S   HC   _H14    47     1.09725   109.07853   163.90516
   51    46 S   OS   _O34    59     1.44235   109.93338  -160.75247
   52    48 S   CT   _C5_    48     1.54259   112.70155    41.37131
   53    52 S   HC   _H4_    49     1.09738   110.04316  -176.74803
   54    51 S   CO4  _C12    60     1.36601   116.99257   -79.95732
   55    54 S   O    _O35    61     1.22469   125.65705    -0.18131
   56    38 S   NP   _N4_    53     1.51927   102.19582  -158.91231
   57    56 S   H    _H3_    54     1.02886   109.54399   161.89564
   58    54 S   CT   _C13    62     1.52079   109.79227   179.76677
   59    58 S   HC   _H9_    63     1.09929   107.89925    -2.36794
   60    56 S   CT   _C4_    55     1.49930   115.53912   -79.61622
   61    60 S   HC   _H10    56     1.09057   110.50543    55.86700
   62    60 S   HC   _H11    57     1.09293   107.76555   177.18770
   63    60 S   HC   _H12    58     1.09319   107.44278   -64.52200
   64    58 S   CA   _C15    64     1.51666   110.28282   115.93192
   65    58 S   CT   _C14    75     1.53334   109.22129  -118.44071
   66    65 S   HC   _H17    76     1.09481   112.31461   -46.70765
   67    65 S   HC   _H18    77     1.09552   110.93625  -168.55134
   68    64 S   CA   _C16    65     1.40376   119.54790   -99.63509
   69    68 S   HA   _H20    66     1.08753   120.40185    -0.99190
   70    65 S   OH   _O36    78     1.42539   109.17606    73.05730
   71    70 S   HO   _H19    79     0.97285   106.84528   179.97202
   72    68 S   CA   _C17    67     1.39649   120.73312   178.97971
   73    72 S   HA   _H21    68     1.08627   119.93223   179.79442
   74    72 S   CA   _C18    69     1.39287   120.08858    -0.38052
   75    74 S   HA   _H22    70     1.08601   120.09754  -179.86878
   76    74 S   CA   _C19    71     1.39262   119.84857    -0.16071
   77    76 S   HA   _H23    72     1.08655   120.13225  -179.47698
   78    64 S   CA   _C20    73     1.40271   121.96500    78.43591
   79    78 S   HA   _H24    74     1.08651   120.66719     0.58283
  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  10   5   4   3
  16   8   2   1   1  19   9  12   5   4  13   6   5  11   6   9
   5   4   7   7   3  10   4   5   4  13   7   3   2   1   1  13
   6   3   2   8   4   1   1   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    46    48    52    53    40    41    42    56    57    60  
   38    39    43    52    40    41    42    56  
   36    37  
   37  
    0  
   39    43    44    45    46    47    48    52    53    40    41    42    56    57    60    61    62    63    51  
   43    44    45    46    52    40    56    57    60  
   41    42    56    57    60    43    46    48    49    50    52    53  
   42    56    48    52    53  
   56    48    52    53  
   44    45    46    47    48    49    50    52    56    57    60    51    54  
   45    46    47    48    56    51  
   46    47    48    56    51  
   47    48    49    50    52    53    56    51    54    55    58  
   48    49    50    52    51    54  
   49    50    52    53    56    57    60    51    54  
   50    52    53    56    51  
   52    53    56    51  
   54    55    58    59    64    65    52  
   53    56    57    60    61    62    63  
   56    57    60  
   55    58    59    64    68    78    65    66    67    70  
   58    59    64    65  
   57    60    61    62    63  
   60    61    62    63  
   59    64    68    69    72    76    78    79    65    66    67    70    71  
   64    68    78    65    66    67    70  
   61    62    63  
   62    63  
   63  
    0  
   68    69    72    73    74    76    77    78    79    65    66    67    70  
   66    67    70    71    68    78  
   67    70    71  
   70    71  
   69    72    73    74    75    76    78    79  
   72    73    74    78  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   57   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    56   367.000  1.471
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    40   268.000  1.529
   52    56   367.000  1.471
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    57   434.000  1.010
   56    60   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    65   268.000  1.529
   64    68   469.000  1.400
   64    78   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    56    80.00000  111.20000
   33    40    52    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    58.35000  112.70000
   38    56    52    75.00000  113.01200
   38    56    57    35.00000  109.50000
   38    56    60    75.00000  113.01200
   43    38    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    40    58.35000  112.70000
   48    52    56    80.00000  111.20000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    40    41    50.00000  109.50000
   52    40    42    37.50000  110.70000
   52    56    57    35.00000  109.50000
   52    56    60    75.00000  113.01200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   42    40    41    45.00000  125.66300
   56    38    39    35.00000  109.50000
   56    38    43    80.00000  111.20000
   56    52    53    35.00000  109.50000
   56    52    40    80.00000  111.20000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   60    56    57    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    50.00000  109.50000
   51    54    55    83.00000  123.40000
   51    54    58    81.00000  111.40000
   54    58    59    35.00000  109.50000
   54    58    64    70.00000  110.93000
   54    58    65    63.00000  111.10000
   58    54    55    80.00000  120.40000
   58    64    68    70.00000  120.00000
   58    64    78    70.00000  120.00000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    70    50.00000  109.50000
   64    58    59    35.00000  109.50000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   64    78    76    63.00000  120.00000
   64    78    79    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   78    64    68    63.00000  120.00000
   78    76    77    35.00000  120.00000
   65    58    59    37.50000  110.70000
   65    58    64    70.00000  112.17500
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    56   0.56750  1.0 1.0
   29    33    38    56  -0.07550 -1.0 2.0
   29    33    38    56   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    46   0.56750  1.0 1.0
   33    38    43    46  -0.07550 -1.0 2.0
   33    38    43    46   0.20000  1.0 3.0
   33    38   -56    52   0.47100  1.0 1.0
   33    38    56    57   0.17350  1.0 3.0
   33    38    56    60   0.47100  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    56   0.19200  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    52   0.56750  1.0 1.0
   38    33   -40    52  -0.07550 -1.0 2.0
   38    33   -40    52   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.56750  1.0 1.0
   38    43    46    48  -0.07550 -1.0 2.0
   38    43    46    48   0.20000  1.0 3.0
   38    43    46    51   0.62750  1.0 1.0
   38    43    46    51  -0.30950 -1.0 2.0
   38    43    46    51   0.27300  1.0 3.0
   38    56    60    61   0.15000  1.0 3.0
   38    56    60    62   0.15000  1.0 3.0
   38    56    60    63   0.15000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    46   0.15000  1.0 3.0
   39    38    56    52   0.15000  1.0 3.0
   39    38    56    57   0.13050  1.0 3.0
   39    38    56    60   0.15000  1.0 3.0
   43    38    56    52   0.47100  1.0 1.0
   43    38    56    57   0.17350  1.0 3.0
   43    38    56    60   0.47100  1.0 1.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46   -48    52   0.56750  1.0 1.0
   43    46   -48    52  -0.07550 -1.0 2.0
   43    46   -48    52   0.20000  1.0 3.0
   43    46    51    54  -0.25900  1.0 1.0
   43    46    51    54  -0.47000 -1.0 2.0
   43    46    51    54   0.11750  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.23400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    40   0.56750  1.0 1.0
   46    48    52    40  -0.07550 -1.0 2.0
   46    48    52    40   0.20000  1.0 3.0
   46    48    52    56   1.36600  1.0 1.0
   46    48    52    56  -0.11450 -1.0 2.0
   46    48    52    56   0.24250  1.0 3.0
   46    51    54    55   3.00000 -1.0 2.0
   46    51    54    58   1.63150  1.0 1.0
   46    51    54    58   2.92000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.08050  1.0 3.0
   48    46    51    54  -0.25900  1.0 1.0
   48    46    51    54  -0.47000 -1.0 2.0
   48    46    51    54   0.11750  1.0 3.0
   48    52    40    33   0.56750  1.0 1.0
   48    52    40    33  -0.07550 -1.0 2.0
   48    52    40    33   0.20000  1.0 3.0
   48    52    40    41   0.62750  1.0 1.0
   48    52    40    41  -0.30950 -1.0 2.0
   48    52    40    41   0.27300  1.0 3.0
   48    52    40    42   0.15000  1.0 3.0
   48    52   -56    38   0.47100  1.0 1.0
   48    52    56    57   0.17350  1.0 3.0
   48    52    56    60   0.47100  1.0 1.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    40   0.15000  1.0 3.0
   49    48    52    56   0.19200  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    40   0.15000  1.0 3.0
   50    48    52    56   0.19200  1.0 3.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56    60    63   0.15000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    41   0.23400  1.0 3.0
   53    52    40    42   0.15000  1.0 3.0
   53    52    56    38   0.15000  1.0 3.0
   53    52    56    57   0.13050  1.0 3.0
   53    52    56    60   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33   -38    56   1.36600  1.0 1.0
   40    33   -38    56  -0.11450 -1.0 2.0
   40    33   -38    56   0.24250  1.0 3.0
   40    52   -56    38   0.47100  1.0 1.0
   40    52    56    57   0.17350  1.0 3.0
   40    52    56    60   0.47100  1.0 1.0
   56    38    43    44   0.19200  1.0 3.0
   56    38    43    45   0.19200  1.0 3.0
   56    38   -43    46   1.36600  1.0 1.0
   56    38   -43    46  -0.11450 -1.0 2.0
   56    38   -43    46   0.24250  1.0 3.0
   56    52   -40    33   1.36600  1.0 1.0
   56    52   -40    33  -0.11450 -1.0 2.0
   56    52   -40    33   0.24250  1.0 3.0
   56    52    40    41   1.69300  1.0 1.0
   56    52    40    41  -0.48450 -1.0 2.0
   56    52    40    42   0.19200  1.0 3.0
   57    56    60    61   0.13050  1.0 3.0
   57    56    60    62   0.13050  1.0 3.0
   57    56    60    63   0.13050  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    50   0.23400  1.0 3.0
   51    46    48    52   0.62750  1.0 1.0
   51    46    48    52  -0.30950 -1.0 2.0
   51    46    48    52   0.27300  1.0 3.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    64   0.40000  1.0 3.0
   51    54    58    65   0.36750  1.0 3.0
   54    58    64    68   0.04300 -1.0 2.0
   54    58    64    78   0.04300 -1.0 2.0
   54    58    65    66  -0.11250  1.0 3.0
   54    58    65    67  -0.11250  1.0 3.0
   54    58    65    70  -0.09450  1.0 1.0
   54    58    65    70  -1.12950 -1.0 2.0
   54    58    65    70   0.54000  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    64   0.30150 -1.0 2.0
   55    54    58    65   0.30150 -1.0 2.0
   58    64    68    69   3.62500 -1.0 2.0
   58    64    68    72   3.62500 -1.0 2.0
   58    64    78    76   3.62500 -1.0 2.0
   58    64    78    79   3.62500 -1.0 2.0
   58    65    70    71  -0.11600  1.0 1.0
   58    65    70    71  -0.09450 -1.0 2.0
   58    65    70    71   0.21250  1.0 3.0
   59    58    64    68   0.00000  1.0 1.0
   59    58    64    78   0.00000  1.0 1.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    70   0.23400  1.0 3.0
   64    58    65    66   0.43200  1.0 3.0
   64    58    65    67   0.43200  1.0 3.0
   64    58    65    70   1.13150  1.0 1.0
   64    58    65    70  -1.01400 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68    72    74   3.62500 -1.0 2.0
   68    64    78    76   3.62500 -1.0 2.0
   68    64    78    79   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72   -74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -78    64   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    64   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    64    68    69   3.62500 -1.0 2.0
   78    64   -68    72   3.62500 -1.0 2.0
   65    58    64    68   0.04150 -1.0 2.0
   65    58    64    78   0.04150 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   51    58    54    55  10.50000 -1.0 2.0
   68    78    64    58   4.00000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    64   1.10000 -1.0 2.0
END
