* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    165    243     482
    1     0 S   NP   _N1_     1    28.79848    98.06215   -20.01113
    2     1 S   H    _HN1     2     1.02963    87.40025    59.65351
    3     1 S   H    _H1_     3     1.02840    47.91178   175.54662
    4     1 S   H    _H2_     4     1.02794    73.56331   -50.27051
    5     1 S   CT   _CA1     5     1.50124   156.93555  -158.58498
    6     5 S   HC   _HA1     6     1.09587   105.18289    38.78633
    7     5 S   CO3  _C1_     7     1.53700   112.48172   -81.20242
    8     7 S   O2Z  _O11     8     1.26341   115.10871   -44.34605
    9     7 S   O2Z  _O12     9     1.26263   114.98584   135.09755
   10     5 S   CT   _CB1    10     1.53154   107.40328   156.45085
   11    10 S   HC   HB11    11     1.09811   109.02451   -52.72695
   12    10 S   HC   HB12    12     1.09814   110.54394    63.73777
   13    10 S   CT   _CG1    13     1.52990   112.72442  -174.01264
   14    13 S   HC   HG11    14     1.09561   110.24105   -67.00142
   15    13 S   HC   HG12    15     1.09665   110.01535    51.96191
   16    13 S   C    _CD1    16     1.51923   112.59536   171.93722
   17    16 S   O    _OE1    17     1.22713   123.23342    -8.06504
   18    16 S   N    _N2_    18     1.38473   111.54550   173.11285
   19    18 S   H    _HN2    19     1.01633   119.02056    -0.15195
   20    18 S   CT1  _CA2    20     1.45933   123.74216   176.44301
   21    20 S   HC   _HA2    21     1.09693   109.28876   -15.95997
   22    20 S   C    _C2_    22     1.52893   106.07659  -132.74203
   23    22 S   O    _O2_    23     1.23013   122.82820   -28.34284
   24    20 S   CT   _CB2    32     1.53361   112.24758   108.08150
   25    24 S   HC   HB21    33     1.09448   109.91246    44.64511
   26    24 S   HC   HB22    34     1.09485   109.65213   163.38393
   27    22 S   N    _N3_    24     1.38461   112.74336   153.98642
   28    27 S   H    _HN3    25     1.01665   120.34572    -0.69097
   29    24 S   S    _SG2    35     1.83380   111.25723   -77.11448
   30    27 S   CT   _CA3    26     1.45356   122.40345   178.81287
   31    30 S   HC   HA31    27     1.09566   107.55370   -61.49905
   32    30 S   HC   HA32    28     1.09570   107.83717    54.79203
   33    29 S   CT   _C17    36     1.87161   101.87287   173.11997
   34    33 S   OM   _O38    37     1.32175   108.16173    54.10172
   35    30 S   CO3  _C3_    29     1.52876   114.43799   176.77937
   36    35 S   O2Z  _O31    30     1.26319   116.10949    -0.13122
   37    35 S   O2Z  _O32    31     1.26455   114.38682   179.92087
   38    33 S   CT   _C16    38     1.54440   106.23661   169.53255
   39    38 S   HC   _H15    39     1.09728   111.88296    52.36189
   40    38 S   HC   _H16    40     1.10032   111.99867   -67.11082
   41    38 S   CO4  _C15    41     1.51664   112.29158   171.57969
   42    41 S   O    _O37    42     1.23188   121.41920   135.38240
   43    41 S   CT   _C14    43     1.51181   117.17763   -50.87981
   44    43 S   HC   _H13    44     1.09729   107.31962   171.42760
   45    43 S   HC   _H14    45     1.09506   107.38429   -73.24767
   46    43 S   CT   _C13    46     1.54013   112.42197    50.17192
   47    33 S   CT   _C12    47     1.57296   112.56421   -68.42527
   48    47 S   HC   _H3_    48     1.09851   107.49505    72.51740
   49    46 S   CT   _C18    70     1.55192   108.35835  -174.20553
   50    49 S   HC   _H17    71     1.09489   109.86630    58.45146
   51    49 S   HC   _H18    72     1.09786   109.76179   -59.25800
   52    46 S   OH   _O42    90     1.43789   106.99766    71.53671
   53    52 S   HO   _H26    91     0.97165   108.74948    56.39739
   54    47 S   CO4  _C11    49     1.54290   111.35038   -44.55154
   55    54 S   O    _O36    50     1.23241   121.82479   -62.87503
   56    49 S   CO4  _C19    73     1.52667   115.71053  -178.56933
   57    56 S   O    _O39    74     1.23026   122.39056    22.27256
   58    54 S   CT   _C10    51     1.51608   117.61701   116.02018
   59    58 S   HC   _H11    52     1.09298   109.95884    14.89013
   60    58 S   HC   _H12    53     1.09361   107.33311  -103.06471
   61    56 S   CT   _C20    75     1.51694   116.34614  -162.68613
   62    61 S   HC   _H19    76     1.09491   107.11746   -90.33621
   63    61 S   HC   _H20    77     1.09401   109.45474    27.35504
   64    58 S   CO4  _C9_    54     1.51566   114.72704   136.03333
   65    64 S   O    _O35    55     1.22977   121.98794    -8.50099
   66    61 S   CO4  _C21    78     1.51735   115.30506   148.08317
   67    66 S   O    _O40    79     1.22950   121.96511   -14.23468
   68    64 S   CT   _C8_    56     1.51376   115.79893   170.57252
   69    68 S   HC   _H9_    57     1.09494   108.71541    38.87001
   70    68 S   HC   _H10    58     1.09321   106.75763   -78.75246
   71    66 S   CT   _C22    80     1.51643   115.71320   165.78724
   72    71 S   HC   _H21    81     1.09583   107.97813    45.02943
   73    71 S   HC   _H22    82     1.09589   106.52069   -72.19203
   74    68 S   CO4  _C7_    59     1.51667   116.36949   159.83029
   75    74 S   O    _O34    60     1.22923   122.14144   -15.63870
   76    71 S   CO4  _C23    83     1.51273   116.09860   165.72204
   77    76 S   O    _O41    84     1.22396   124.82731   -16.06440
   78    74 S   CT   _C6_    61     1.51555   115.32023   164.80189
   79    78 S   HC   _H7_    62     1.09546   107.94995    45.51140
   80    78 S   HC   _H8_    63     1.09495   107.10844   -72.21242
   81    76 S   S    _S1_    85     1.76907   113.05544   165.68504
   82    78 S   CO4  _C5_    64     1.51393   117.25522   166.36106
   83    82 S   O    _O33    65     1.22937   123.61622    -7.94206
   84    81 S   CT   _C24    86     1.80608   100.30808   178.52674
   85    84 S   HC   _H23    87     1.09322   109.25530  -179.96574
   86    84 S   HC   _H24    88     1.09337   110.50348    60.74227
   87    84 S   HC   _H25    89     1.09312   110.64921   -60.60665
   88    82 S   CT   _C4_    66     1.50761   115.82558   173.46391
   89    88 S   HC   _H4_    67     1.09278   109.54524    61.09954
   90    88 S   HC   _H5_    68     1.09358   109.73545  -179.39477
   91    88 S   HC   _H6_    69     1.09279   109.62352   -59.98685
  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
  15   8   2   1   1  11   5   4   8   4  12   5   4  13  13   5
  11   5   4   3   1   7   4   7   4   8   4   3   8   4   3   7
   4   7   4   8   4   3   6   4   3   7   4   6   2   8   4   3
   4   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    47    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    54    55    58    49    52  
   38    39    40    41    46    47    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    54  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    54    49    50    51    56    52    53  
   45    46    47    49    52  
   46    47    49    52  
   47    48    54    55    58    49    50    51    56    57    61    52    53  
   48    54    55    58    59    60    64    49    50    51    56    52    53  
   54    55    58    49    52  
   50    51    56    57    61    62    63    66    52    53    54  
   51    56    57    61    52  
   56    57    61    52  
   53    54    56  
    0  
   55    58    59    60    64    65    68  
   58    59    60    64  
   57    61    62    63    66    67    71  
   61    62    63    66  
   59    60    64    65    68    69    70    74  
   60    64    65    68  
   64    65    68  
   62    63    66    67    71    72    73    76  
   63    66    67    71  
   66    67    71  
   65    68    69    70    74    75    78  
   68    69    70    74  
   67    71    72    73    76    77    81  
   71    72    73    76  
   69    70    74    75    78    79    80    82  
   70    74    75    78  
   74    75    78  
   72    73    76    77    81    84  
   73    76    77    81  
   76    77    81  
   75    78    79    80    82    83    88  
   78    79    80    82  
   77    81    84    85    86    87  
   81    84  
   79    80    82    83    88    89    90    91  
   80    82    83    88  
   82    83    88  
   84    85    86    87  
   83    88    89    90    91  
   88    89    90    91  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   268.000  1.529
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   317.000  1.522
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   317.000  1.522
   82    83   570.000  1.229
   82    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   317.000  1.522
   66    67   570.000  1.229
   66    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   317.000  1.522
   76    77   570.000  1.229
   76    81   210.000  1.799
   81    84   222.000  1.810
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    58.35000  112.70000
   43    46    49    58.35000  112.70000
   43    46    52    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    47    48    37.50000  110.70000
   46    47    54    63.00000  111.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    63.00000  111.10000
   46    52    53    55.00000  108.50000
   47    33    34    50.00000  109.50000
   47    33    38    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    58    70.00000  116.00000
   54    47    48    35.00000  109.50000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    64    75.00000  107.99600
   58    54    55    80.00000  120.40000
   58    64    65    80.00000  120.40000
   58    64    68    70.00000  116.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    74    75.00000  107.99600
   68    64    65    80.00000  120.40000
   68    74    75    80.00000  120.40000
   68    74    78    70.00000  116.00000
   70    68    69    33.00000  107.80000
   74    68    69    35.00000  109.50000
   74    68    70    35.00000  109.50000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    82    75.00000  107.99600
   78    74    75    80.00000  120.40000
   78    82    83    80.00000  120.40000
   78    82    88    70.00000  116.00000
   80    78    79    33.00000  107.80000
   82    78    79    35.00000  109.50000
   82    78    80    35.00000  109.50000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   88    82    83    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   49    46    47    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    61    70.00000  116.00000
   51    49    50    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    51    35.00000  109.50000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    66    75.00000  107.99600
   61    56    57    80.00000  120.40000
   61    66    67    80.00000  120.40000
   61    66    71    70.00000  116.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    76    75.00000  107.99600
   71    66    67    80.00000  120.40000
   71    76    77    80.00000  120.40000
   71    76    81    70.00000  114.16300
   73    71    72    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    35.00000  109.50000
   76    81    84    90.00000   96.72000
   81    76    77    80.00000  121.30200
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   52    46    47    50.00000  109.50000
   52    46    49    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    47    54    55   0.30150 -1.0 2.0
   33    47    54    58   0.60050  1.0 1.0
   33    47    54    58   0.05600 -1.0 2.0
   33    47    54    58   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.09450  1.0 1.0
   34    33    38    41  -1.12950 -1.0 2.0
   34    33    38    41   0.54000  1.0 3.0
   34    33    47    46   0.62750  1.0 1.0
   34    33    47    46  -0.30950 -1.0 2.0
   34    33    47    46   0.27300  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    54  -0.09450  1.0 1.0
   34    33    47    54  -1.12950 -1.0 2.0
   34    33    47    54   0.54000  1.0 3.0
   38    33    47    46   0.56750  1.0 1.0
   38    33    47    46  -0.07550 -1.0 2.0
   38    33    47    46   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    54  -0.95700  1.0 1.0
   38    33    47    54  -0.18200 -1.0 2.0
   38    33    47    54   0.29450  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.95700  1.0 1.0
   41    43    46    47  -0.18200 -1.0 2.0
   41    43    46    47   0.29450  1.0 3.0
   41    43    46    49  -0.95700  1.0 1.0
   41    43    46    49  -0.18200 -1.0 2.0
   41    43    46    49   0.29450  1.0 3.0
   41    43    46    52  -0.09450  1.0 1.0
   41    43    46    52  -1.12950 -1.0 2.0
   41    43    46    52   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    54  -0.95700  1.0 1.0
   43    46    47    54  -0.18200 -1.0 2.0
   43    46    47    54   0.29450  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    56  -0.95700  1.0 1.0
   43    46    49    56  -0.18200 -1.0 2.0
   43    46    49    56   0.29450  1.0 3.0
   43    46    52    53  -0.11600  1.0 1.0
   43    46    52    53  -0.09450 -1.0 2.0
   43    46    52    53   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   44    43    46    52   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   45    43    46    52   0.23400  1.0 3.0
   46    47    54    55   0.30150 -1.0 2.0
   46    47    54    58   0.60050  1.0 1.0
   46    47    54    58   0.05600 -1.0 2.0
   46    47    54    58   0.26150  1.0 3.0
   46    49    56    57   0.30150 -1.0 2.0
   46    49    56    61   0.60050  1.0 1.0
   46    49    56    61   0.05600 -1.0 2.0
   46    49    56    61   0.26150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56  -0.95700  1.0 1.0
   47    46    49    56  -0.18200 -1.0 2.0
   47    46    49    56   0.29450  1.0 3.0
   47    46    52    53  -0.11600  1.0 1.0
   47    46    52    53  -0.09450 -1.0 2.0
   47    46    52    53   0.21250  1.0 3.0
   47    54    58    59   0.00000  1.0 1.0
   47    54    58    60   0.00000  1.0 1.0
   47    54    58    64   0.65300  1.0 1.0
   47    54    58    64  -0.03850 -1.0 2.0
   47    54    58    64   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   54    58    64    65   0.30150 -1.0 2.0
   54    58    64    68   0.65300  1.0 1.0
   54    58    64    68  -0.03850 -1.0 2.0
   54    58    64    68   0.33900  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    64   0.30150 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64    68    74   0.65300  1.0 1.0
   58    64    68    74  -0.03850 -1.0 2.0
   58    64    68    74   0.33900  1.0 3.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   64    68    74    75   0.30150 -1.0 2.0
   64    68    74    78   0.65300  1.0 1.0
   64    68    74    78  -0.03850 -1.0 2.0
   64    68    74    78   0.33900  1.0 3.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    74   0.30150 -1.0 2.0
   68    74    78    79   0.00000  1.0 1.0
   68    74    78    80   0.00000  1.0 1.0
   68    74    78    82   0.65300  1.0 1.0
   68    74    78    82  -0.03850 -1.0 2.0
   68    74    78    82   0.33900  1.0 3.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    78   0.00000  1.0 1.0
   70    68    74    75   0.00000  1.0 1.0
   70    68    74    78   0.00000  1.0 1.0
   74    78    82    83   0.30150 -1.0 2.0
   74    78    82    88   0.65300  1.0 1.0
   74    78    82    88  -0.03850 -1.0 2.0
   74    78    82    88   0.33900  1.0 3.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    82   0.30150 -1.0 2.0
   78    82    88    89   0.00000  1.0 1.0
   78    82    88    90   0.00000  1.0 1.0
   78    82    88    91   0.00000  1.0 1.0
   79    78    82    83   0.00000  1.0 1.0
   79    78    82    88   0.00000  1.0 1.0
   80    78    82    83   0.00000  1.0 1.0
   80    78    82    88   0.00000  1.0 1.0
   83    82    88    89   0.00000  1.0 1.0
   83    82    88    90   0.00000  1.0 1.0
   83    82    88    91   0.00000  1.0 1.0
   49    46    47    33   0.56750  1.0 1.0
   49    46    47    33  -0.07550 -1.0 2.0
   49    46    47    33   0.20000  1.0 3.0
   49    46    47    48   0.15000  1.0 3.0
   49    46    47    54  -0.95700  1.0 1.0
   49    46    47    54  -0.18200 -1.0 2.0
   49    46    47    54   0.29450  1.0 3.0
   49    46    52    53  -0.11600  1.0 1.0
   49    46    52    53  -0.09450 -1.0 2.0
   49    46    52    53   0.21250  1.0 3.0
   49    56    61    62   0.00000  1.0 1.0
   49    56    61    63   0.00000  1.0 1.0
   49    56    61    66   0.65300  1.0 1.0
   49    56    61    66  -0.03850 -1.0 2.0
   49    56    61    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    61   0.00000  1.0 1.0
   51    49    56    57   0.00000  1.0 1.0
   51    49    56    61   0.00000  1.0 1.0
   56    61    66    67   0.30150 -1.0 2.0
   56    61    66    71   0.65300  1.0 1.0
   56    61    66    71  -0.03850 -1.0 2.0
   56    61    66    71   0.33900  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    66   0.30150 -1.0 2.0
   61    66    71    72   0.00000  1.0 1.0
   61    66    71    73   0.00000  1.0 1.0
   61    66    71    76   0.65300  1.0 1.0
   61    66    71    76  -0.03850 -1.0 2.0
   61    66    71    76   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    71   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    71   0.00000  1.0 1.0
   66    71    76    77   0.30150 -1.0 2.0
   66    71    76    81   0.00000  1.0 1.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    76   0.30150 -1.0 2.0
   71    76    81    84  -0.11550  1.0 1.0
   71    76    81    84   1.88700 -1.0 2.0
   72    71    76    77   0.00000  1.0 1.0
   72    71    76    81   0.00000  1.0 1.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    81   0.00000  1.0 1.0
   76    81    84    85   0.24000  1.0 3.0
   76    81    84    86   0.24000  1.0 3.0
   76    81    84    87   0.24000  1.0 3.0
   77    76    81    84  -0.11550  1.0 1.0
   77    76    81    84   1.88700 -1.0 2.0
   52    46    47    33   0.86500  1.0 1.0
   52    46    47    33  -0.17500 -1.0 2.0
   52    46    47    33   0.20800  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    54  -0.09450  1.0 1.0
   52    46    47    54  -1.12950 -1.0 2.0
   52    46    47    54   0.54000  1.0 3.0
   52    46    49    50   0.23400  1.0 3.0
   52    46    49    51   0.23400  1.0 3.0
   52    46    49    56  -0.09450  1.0 1.0
   52    46    49    56  -1.12950 -1.0 2.0
   52    46    49    56   0.54000  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
   38    43    41    42  10.50000 -1.0 2.0
   47    58    54    55  10.50000 -1.0 2.0
   58    68    64    65  10.50000 -1.0 2.0
   68    78    74    75  10.50000 -1.0 2.0
   78    88    82    83  10.50000 -1.0 2.0
   49    61    56    57  10.50000 -1.0 2.0
   61    71    66    67  10.50000 -1.0 2.0
   71    81    76    77  10.50000 -1.0 2.0
END
