* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    171    273     495
    1     0 S   NP   _N1_     1    28.63669    96.13951   -22.60749
    2     1 S   H    _HN1     2     1.02772   101.17929   -95.30956
    3     1 S   H    _H1_     3     1.02952    74.95858    10.87223
    4     1 S   H    _H2_     4     1.02827    37.33227   159.75133
    5     1 S   CT   _CA1     5     1.50186   141.41372   114.82737
    6     5 S   HC   _HA1     6     1.09582   105.15615    86.72004
    7     5 S   CO3  _C1_     7     1.53786   111.99150   -33.28054
    8     7 S   O2Z  _O11     8     1.26376   114.98408   -49.72120
    9     7 S   O2Z  _O12     9     1.26215   114.88958   128.70622
   10     5 S   CT   _CB1    10     1.53047   107.30580  -155.58922
   11    10 S   HC   HB11    11     1.09840   109.29672   -50.06404
   12    10 S   HC   HB12    12     1.09809   110.51090    66.46898
   13    10 S   CT   _CG1    13     1.53020   112.69026  -171.03270
   14    13 S   HC   HG11    14     1.09582   110.55601   -65.76000
   15    13 S   HC   HG12    15     1.09657   109.88697    53.48800
   16    13 S   C    _CD1    16     1.51876   111.98278   173.86512
   17    16 S   O    _OE1    17     1.22766   123.22364     6.44418
   18    16 S   N    _N2_    18     1.38517   111.92538  -173.54172
   19    18 S   H    _HN2    19     1.01884   118.85668    -0.08393
   20    18 S   CT1  _CA2    20     1.46184   123.60908  -179.80617
   21    20 S   HC   _HA2    21     1.09734   109.30580     8.15789
   22    20 S   C    _C2_    22     1.53551   109.24320  -107.86834
   23    22 S   O    _O2_    23     1.23101   121.93218  -145.12896
   24    20 S   CT   _CB2    32     1.53524   111.23228   129.86620
   25    24 S   HC   HB21    33     1.09164   109.24902    60.33159
   26    24 S   HC   HB22    34     1.09432   110.06542   177.82094
   27    22 S   N    _N3_    24     1.38404   113.88917    42.37722
   28    27 S   H    _HN3    25     1.01453   119.11860    -0.41022
   29    24 S   S    _SG2    35     1.83178   111.20002   -62.89352
   30    27 S   CT   _CA3    26     1.45455   123.37888   175.42735
   31    30 S   HC   HA31    27     1.09526   109.22971    25.46836
   32    30 S   HC   HA32    28     1.09499   107.13900   142.41557
   33    29 S   CT   _C17    36     1.87419   102.63147   150.05055
   34    30 S   CO3  _C3_    29     1.52907   113.04248   -98.02632
   35    34 S   O2Z  _O31    30     1.26412   115.34171   -47.74578
   36    34 S   O2Z  _O32    31     1.26350   115.04258   133.17614
   37    33 S   CT   _C18    37     1.55801   104.22368  -176.32976
   38    37 S   HC   _H16    38     1.09632   110.45844   -60.55441
   39    37 S   HC   _H17    39     1.09528   111.29768    56.62035
   40    33 S   CT   _C19    81     1.56460   110.38679    61.91757
   41    40 S   HC   _H18    82     1.09712   111.85095   -53.99146
   42    40 S   HC   _H19    83     1.09661   111.10154  -171.22011
   43    37 S   S    _S2_    40     1.82700   116.27968   178.48586
   44    40 S   NAP  _N9_    84     1.49193   115.30134    68.18338
   45    43 S   C4T  _C14    41     1.82071    98.41273   -52.60136
   46    45 S   HC   _H4_    42     1.09467   114.52072   -85.24266
   47    44 S   CA   _C20    85     1.35270   120.39421   -86.99660
   48    47 S   HA   _H20    86     1.08179   117.52871     1.19992
   49    45 S   C4T  _C13    43     1.56402   115.39728   139.04881
   50    49 S   HC   _H3_    44     1.09510   114.04355   131.79403
   51    45 S   N4   _N8_    47     1.45104   110.01187    42.98645
   52    47 S   CA   _C21    87     1.38908   121.17676  -177.87100
   53    52 S   HA   _H21    88     1.08551   120.29690  -179.24931
   54    49 S   C4   _C15    45     1.55777    84.84239  -114.79084
   55    54 S   O    _O37    46     1.20888   137.15181  -178.87413
   56    33 S   CT1  _C16    48     1.56756   110.55954   -57.82701
   57    56 S   HC   _H5_    49     1.09834   108.21023    80.54602
   58    49 S   N    _N7_    53     1.47849   116.15799    -0.17017
   59    58 S   H    _H15    54     1.02016   118.72316    25.83821
   60    52 S   CA   _C22    89     1.38688   119.25604     1.47870
   61    60 S   HA   _H22    90     1.08600   120.32672   179.72517
   62    56 S   CO3  _C25    50     1.55008   118.11710   -39.87430
   63    62 S   O2Z  _O39    51     1.26163   116.10804   -59.48997
   64    62 S   O2Z  _O38    52     1.26557   114.58628   120.66860
   65    58 S   C    _C12    55     1.37737   123.76937  -152.75114
   66    65 S   O    _O36    56     1.21974   128.87134    -7.84298
   67    60 S   CA   _C23    91     1.38638   119.35757     0.81996
   68    67 S   HA   _H23    92     1.08550   120.54301   178.40836
   69    65 S   CD   _C8_    57     1.50626   112.22500   169.85160
   70    44 S   CA   _C24    93     1.35436   119.69666    98.81782
   71    70 S   HA   _H24    94     1.08266   117.44682    -1.17303
   72    69 S   C5B  _C9_    58     1.45288   119.35287   -94.38607
   73    69 S   NI   _N4_    67     1.29693   121.93186    83.29427
   74    72 S   C5A  _C10    59     1.38169   125.56267   179.55238
   75    74 S   HA   _H12    60     1.08127   128.79417     0.89307
   76    73 S   OS   _O35    68     1.40400   111.05933     0.20936
   77    74 S   SA   _S1_    61     1.71140   110.15519  -178.68151
   78    76 S   CT   _C5_    69     1.43790   110.01494  -149.09449
   79    77 S   CRA  _C11    62     1.72239    89.95056    -0.21670
   80    78 S   CO3  _C7_    70     1.55250   109.22867    61.72962
   81    80 S   O2Z  _O34    71     1.26666   115.63031    43.25055
   82    80 S   O2Z  _O33    72     1.26427   115.66656  -136.85761
   83    78 S   CT   _C4_    73     1.52738   110.38815   -66.10916
   84    83 S   HC   _H6_    74     1.09578   110.88777   -50.99163
   85    83 S   HC   _H7_    75     1.09530   111.70103  -172.19486
   86    83 S   HC   _H8_    76     1.09581   111.31648    67.62496
   87    78 S   CT   _C6_    77     1.53065   106.47467   174.93639
   88    87 S   HC   _H9_    78     1.09634   110.66378    62.24677
   89    87 S   HC   _H10    79     1.09659   111.56901   -55.57372
   90    87 S   HC   _H11    80     1.09547   111.78088  -176.83442
   91    72 S   N5B  _N5_    63     1.38875   120.07223     1.01876
   92    79 S   NE   _N6_    64     1.34648   120.43228  -179.93744
   93    92 S   H    _H13    65     1.01408   121.50091   178.14734
   94    92 S   H    _H14    66     1.01419   121.91872     1.10181
  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  13   5   4   3
  18   2   1   1  14   5   4  14   5   4   8  10  12   6   8   4
  10   6   8   6   3   7   2   4   3   6   3   5   3   2   1   1
   7   3   3   2   9   1   1   8   7   5   3  12   5  11   4  10
   3   2   7   3   2   1   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    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    62    63    64    40    41    42    44    47    70  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    62    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    67    70    71    43    51    56    57    62  
   42    44    47    70    56  
   44    47    70    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    67    68    70    71    56  
   46    49    50    54    55    51    56    57    62    58    59    65  
   49    50    54    51    56    58  
   48    52    53    60    61    67    70    71  
   52    53    60    70  
   50    54    55    51    56    58    59    65    66    69  
   54    55    51    58    59    65  
   56    57    62    63    64    58    54    55  
   53    60    61    67    68    70  
   60    61    67  
   55    56    57    62    58    59    65  
   56    58  
   57    62    63    64  
   62    63    64  
   59    65    66    69    72    73  
   65    66    69  
   61    67    68    70    71  
   67    68    70  
   63    64  
   64  
    0  
   66    69    72    74    91    73    76  
   69    72    73  
   68    70    71  
   70    71  
   72    74    75    77    79    91    73    76    78  
   71  
    0  
   74    75    77    79    91    92    73    76  
   76    78    80    83    87    74    91  
   75    77    79    91    92  
   77    79    91  
   78    80    81    82    83    84    85    86    87    88    89    90  
   79    91    92    93    94  
   80    81    82    83    84    85    86    87    88    89    90  
   91    92    93    94  
   81    82    83    84    85    86    87    88    89    90  
   82    83    87  
   83    87  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   73   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   74   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   92   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    69   270.000  1.486
   69    72   305.000  1.466
   69    73   500.000  1.261
   72    74   520.000  1.370
   72    91   410.000  1.394
   74    75   367.000  1.080
   74    77   265.000  1.745
   77    79   250.000  1.765
   79    91   488.000  1.335
   79    92   420.000  1.385
   92    93   434.000  1.010
   92    94   434.000  1.010
   73    76   320.000  1.394
   76    78   320.000  1.410
   78    80   317.000  1.522
   78    83   268.000  1.529
   78    87   268.000  1.529
   80    81   656.000  1.250
   80    82   656.000  1.250
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   280.000  1.457
   44    47   485.000  1.342
   44    70   485.000  1.342
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    71   367.000  1.080
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  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  109.47200
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    65    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    62    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   62    56    57    35.00000  109.50000
   64    62    63    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    65    66    80.00000  122.90000
   58    65    69    75.00000  109.57000
   65    58    59    35.00000  119.80000
   65    69    72    75.00000  114.44000
   65    69    73    65.00000  123.79500
   69    65    66    80.00000  120.45000
   69    72    74    60.00000  121.09900
   69    72    91    60.00000  126.00000
   69    73    76   100.00000  109.52600
   72    74    75    35.00000  130.70000
   72    74    77    80.00000  111.29200
   72    91    79    70.00000  110.00000
   74    77    79   120.00000   89.04400
   77    74    75    40.00000  122.38200
   77    79    91    80.00000  114.57700
   77    79    92    70.00000  122.29500
   79    92    93    35.00000  113.50000
   79    92    94    35.00000  113.50000
   91    72    74    70.00000  111.00000
   92    79    91    75.00000  125.31200
   94    92    93    35.00000  109.00000
   73    69    72    65.00000  124.33800
   73    76    78   110.00000  106.71400
   76    78    80    85.00000  109.63000
   76    78    83    50.00000  109.50000
   76    78    87    50.00000  109.50000
   78    80    81    70.00000  117.00000
   78    80    82    70.00000  117.00000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   78    87    88    37.50000  110.70000
   78    87    89    37.50000  110.70000
   78    87    90    37.50000  110.70000
   82    80    81    80.00000  126.00000
   83    78    80    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    80    70.00000  109.69300
   87    78    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    70.00000  119.18700
   40    44    70    70.00000  119.18700
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  106.41000
   44    40    42    50.00000  106.41000
   44    47    48    45.00000  112.84900
   44    47    52    70.00000  119.29800
   44    70    67    70.00000  119.29800
   44    70    71    45.00000  112.84900
   47    52    53    35.00000  120.00000
   47    52    60    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    71    35.00000  120.00000
   70    44    47    70.00000  123.81700
   70    67    68    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62  -2.17200  1.0 1.0
   29    33    56    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    62    63   0.00000  1.0 1.0
   33    56    62    64   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   33    40    44    70   0.00000  1.0 1.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62  -0.84850  1.0 1.0
   37    33    56    62  -0.22800 -1.0 2.0
   37    33    56    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    65  -0.43950  1.0 1.0
   45    49    58    65  -0.08100 -1.0 2.0
   45    49    58    65   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    62   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    65    66   3.04450 -1.0 2.0
   49    58    65    69   1.49850  1.0 1.0
   49    58    65    69   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    65   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    65  -0.42300  1.0 1.0
   54    49    58    65  -0.07000 -1.0 2.0
   54    49    58    65   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    62   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.56750  1.0 1.0
   56    33    40    44  -0.07550 -1.0 2.0
   56    33    40    44   0.20000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    65    69    72   1.50000 -1.0 2.0
   58    65    69    73   1.50000 -1.0 2.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    69   2.56700 -1.0 2.0
   65    69    72    74   0.30050 -1.0 2.0
   65    69    72    74   0.16600  1.0 3.0
   65    69    72    91   0.30050 -1.0 2.0
   65    69    72    91   0.16600  1.0 3.0
   65    69    73    76   6.00000 -1.0 2.0
   66    65    69    72   1.00000 -1.0 2.0
   66    65    69    73   1.00000 -1.0 2.0
   69    72    74    75   3.62500 -1.0 2.0
   69    72    74    77   3.62500 -1.0 2.0
   69    72    91    79   3.62500 -1.0 2.0
   69    73    76    78   1.50000 -1.0 2.0
   72    69    73    76   6.00000 -1.0 2.0
   72    74   -77    79   3.62500 -1.0 2.0
   74    72   -91    79   2.40000 -1.0 2.0
   74    77   -79    91   3.62500 -1.0 2.0
   74    77    79    92   3.62500 -1.0 2.0
   75    74    77    79   3.62500 -1.0 2.0
   77    79   -91    72   3.62500 -1.0 2.0
   77    79    92    93   0.47600 -1.0 2.0
   77    79    92    94   0.47600 -1.0 2.0
   91    72    74    75   3.62500 -1.0 2.0
   91    72   -74    77   3.62500 -1.0 2.0
   91    79    92    93   1.75000 -1.0 2.0
   91    79    92    94   1.75000 -1.0 2.0
   92    79    91    72   3.62500 -1.0 2.0
   73    69    72    74   1.02250 -1.0 2.0
   73    69    72    91   1.02250 -1.0 2.0
   73    76    78    80   0.37500  1.0 3.0
   73    76    78    83   0.37500  1.0 3.0
   73    76    78    87   0.37500  1.0 3.0
   76    78    80    81   0.30150 -1.0 2.0
   76    78    80    82   0.30150 -1.0 2.0
   76    78    83    84   0.23400  1.0 3.0
   76    78    83    85   0.23400  1.0 3.0
   76    78    83    86   0.23400  1.0 3.0
   76    78    87    88   0.23400  1.0 3.0
   76    78    87    89   0.23400  1.0 3.0
   76    78    87    90   0.23400  1.0 3.0
   80    78    83    84  -0.11250  1.0 3.0
   80    78    83    85  -0.11250  1.0 3.0
   80    78    83    86  -0.11250  1.0 3.0
   80    78    87    88  -0.11250  1.0 3.0
   80    78    87    89  -0.11250  1.0 3.0
   80    78    87    90  -0.11250  1.0 3.0
   83    78    80    81   0.41150 -1.0 2.0
   83    78    80    82   0.41150 -1.0 2.0
   83    78    87    88   0.15000  1.0 3.0
   83    78    87    89   0.15000  1.0 3.0
   83    78    87    90   0.15000  1.0 3.0
   87    78    80    81   0.41150 -1.0 2.0
   87    78    80    82   0.41150 -1.0 2.0
   87    78    83    84   0.15000  1.0 3.0
   87    78    83    85   0.15000  1.0 3.0
   87    78    83    86   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    62  -0.84850  1.0 1.0
   40    33    56    62  -0.22800 -1.0 2.0
   40    33    56    62   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    70    67   3.62500 -1.0 2.0
   40    44    70    71   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    70   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    70   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47    52    60   3.62500 -1.0 2.0
   47    44    70    67   3.62500 -1.0 2.0
   47    44    70    71   3.62500 -1.0 2.0
   47    52    60    61   3.62500 -1.0 2.0
   47    52   -60    67   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   3.62500 -1.0 2.0
   52    60    67    68   3.62500 -1.0 2.0
   52    60    67    70   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -70    44   3.62500 -1.0 2.0
   60    67    70    71   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   68    67    70    44   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   70    44    47    48   3.62500 -1.0 2.0
   70    44   -47    52   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   59    65    58    49   1.00000 -1.0 2.0
   58    69    65    66  10.50000 -1.0 2.0
   65    72    69    73  10.50000 -1.0 2.0
   74    91    72    69   4.00000 -1.0 2.0
   77    75    74    72   1.10000 -1.0 2.0
   91    92    79    77   4.00000 -1.0 2.0
   94    79    92    93   1.00000 -1.0 2.0
   81    78    80    82  10.50000 -1.0 2.0
   47    70    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   67    71    70    44   1.10000 -1.0 2.0
END
