* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    174    266     505
    1     0 S   NP   _N1_     1    28.79857    95.58433   -21.06954
    2     1 S   H    _HN1     2     1.02945    82.10660    27.51005
    3     1 S   H    _H1_     3     1.02838    36.55355   161.06696
    4     1 S   H    _H2_     4     1.02788    91.72162   -80.67441
    5     1 S   CT   _CA1     5     1.50126   146.30665   142.99901
    6     5 S   HC   _HA1     6     1.09597   105.17803    71.04435
    7     5 S   CO3  _C1_     7     1.53786   111.92087   -48.77360
    8     7 S   O2Z  _O11     8     1.26320   115.14877   -56.26082
    9     7 S   O2Z  _O12     9     1.26230   114.82975   122.46176
   10     5 S   CT   _CB1    10     1.53082   107.31848  -171.55752
   11    10 S   HC   HB11    11     1.09830   109.20844   -52.10921
   12    10 S   HC   HB12    12     1.09807   110.59960    64.39590
   13    10 S   CT   _CG1    13     1.52973   112.59688  -173.17160
   14    13 S   HC   HG11    14     1.09485   110.42730   -64.53348
   15    13 S   HC   HG12    15     1.09658   110.00462    54.62009
   16    13 S   C    _CD1    16     1.51813   112.22238   174.80435
   17    16 S   O    _OE1    17     1.22743   123.26494    -2.67978
   18    16 S   N    _N2_    18     1.38624   111.74812   177.95349
   19    18 S   H    _HN2    19     1.01624   119.00165     0.16902
   20    18 S   CT1  _CA2    20     1.46232   123.24650   177.02718
   21    20 S   HC   _HA2    21     1.09722   109.47011    -5.75367
   22    20 S   C    _C2_    22     1.53456   108.27401  -121.28923
   23    22 S   O    _O2_    23     1.23040   122.35172  -147.76231
   24    20 S   CT   _CB2    32     1.53171   111.61486   116.50772
   25    24 S   HC   HB21    33     1.09257   109.54703    56.17540
   26    24 S   HC   HB22    34     1.09469   110.50612   174.22436
   27    22 S   N    _N3_    24     1.38347   113.54816    39.66741
   28    27 S   H    _HN3    25     1.01629   119.52303    -3.58845
   29    24 S   S    _SG2    35     1.82864   111.77769   -65.41374
   30    27 S   CT   _CA3    26     1.45281   123.13643   177.13310
   31    30 S   HC   HA31    27     1.09550   107.55535   -63.31870
   32    30 S   HC   HA32    28     1.09559   107.91566    53.09175
   33    29 S   CA   _C22    36     1.80153    99.48764   165.79420
   34    30 S   CO3  _C3_    29     1.52937   114.12290   175.05819
   35    34 S   O2Z  _O31    30     1.26367   116.05716    -0.33220
   36    34 S   O2Z  _O32    31     1.26430   114.41229   179.70725
   37    33 S   CA   _C17    37     1.41202   119.12419   -90.38804
   38    37 S   CA   _C18    38     1.39995   121.78204  -179.66545
   39    38 S   HA   _H16    39     1.08833   119.63077  -179.28290
   40    37 S   CO4  _C16    68     1.47385   122.03728    -2.17879
   41    40 S   O    _O34    69     1.22815   116.64790   -75.76701
   42    38 S   CA   _C19    40     1.39258   119.69622     0.03426
   43    42 S   I    I2__    41     2.09948   117.14757  -175.42945
   44    40 S   C5B  _C9_    70     1.45959   119.75560   105.44691
   45    42 S   CA   _C20    42     1.40268   120.08815     2.68919
   46    44 S   C56B _C10    71     1.44046   131.27351    -4.44096
   47    44 S   C5A  _C8_    82     1.39053   123.54559   175.81077
   48    33 S   CA   _C21    43     1.41425   123.02302    90.82275
   49    48 S   I    I1__    44     2.14022   121.26344    -4.03789
   50    45 S   OS   _O35    45     1.37444   119.49483   179.04100
   51    46 S   CA   _C11    72     1.41177   136.97186    -0.44675
   52    51 S   HA   _H12    73     1.08445   121.90349    -0.36262
   53    47 S   CT   _C7_    83     1.48851   134.30102    -0.18975
   54    53 S   HC   _H10    84     1.09534   109.96650    38.98009
   55    53 S   HC   _H11    85     1.09664   109.17229   155.27627
   56    50 S   CT   _C23    46     1.43913   111.09954   -89.53654
   57    56 S   HC   _H17    47     1.09648   110.93152    50.76260
   58    56 S   HC   _H18    48     1.09428   110.44341   -68.55999
   59    51 S   CA   _C12    74     1.40269   119.60160  -179.60634
   60    59 S   HA   _H13    75     1.08730   119.40172   179.84423
   61    53 S   CT   _C6_    86     1.52869   111.54331   -83.65225
   62    61 S   HC   _H8_    87     1.09725   110.06049    58.13190
   63    61 S   HC   _H9_    88     1.09759   109.72425   -58.90432
   64    56 S   CT   _C24    49     1.52653   108.04352   169.50649
   65    64 S   HC   _H19    50     1.09522   109.34590   -55.48977
   66    64 S   HC   _H20    51     1.09447   112.22157  -177.37281
   67    59 S   CA   _C13    76     1.39344   120.99528     0.00000
   68    67 S   HA   _H14    77     1.08709   119.62576   179.94766
   69    61 S   CT   _C5_    89     1.52854   111.17091   179.64723
   70    69 S   HC   _H6_    90     1.09618   109.82610   -59.19475
   71    69 S   HC   _H7_    91     1.09622   109.89235    58.54429
   72    64 S   NP   _N4_    52     1.52603   110.45595    62.11211
   73    72 S   H    _H21    53     1.03014   105.31399   -33.83434
   74    67 S   CA   _C14    78     1.39521   120.86080     0.11535
   75    74 S   HA   _H15    79     1.08369   121.65064   179.81129
   76    69 S   CT   _C4_    92     1.52018   111.50108   179.72375
   77    76 S   HC   _H3_    93     1.09467   111.00046   -60.29789
   78    76 S   HC   _H4_    94     1.09448   110.25810   179.96044
   79    76 S   HC   _H5_    95     1.09469   110.99817    60.22151
   80    72 S   CT   _C25    54     1.51806   112.31526    81.29833
   81    80 S   HC   _H22    55     1.09352   107.18091   -49.74800
   82    80 S   HC   _H23    56     1.09386   108.43899    67.18899
   83    72 S   CT   _C27    61     1.51882   112.14628  -147.03812
   84    83 S   HC   _H27    62     1.09570   106.73900    54.19960
   85    83 S   HC   _H28    63     1.09385   107.60995   169.00864
   86    46 S   C56A _C15    80     1.39131   105.98942  -179.89347
   87    80 S   CT   _C26    57     1.51730   111.36567  -169.04844
   88    87 S   HC   _H24    58     1.09390   111.71381   -70.08770
   89    87 S   HC   _H25    59     1.09439   111.50967    51.53620
   90    87 S   HC   _H26    60     1.09489   109.81973   171.14754
   91    83 S   CT   _C28    64     1.51728   112.67731   -67.74826
   92    91 S   HC   _H29    65     1.09372   111.78768   -65.02595
   93    91 S   HC   _H30    66     1.09390   111.95633    56.92529
   94    91 S   HC   _H31    67     1.09503   109.63415   176.20956
   95    86 S   OA   _O33    81     1.35497   110.48554    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  12   9   4  10   3   6   3  12   7  11  11   3
   1   7   8   4  11   6   5   9   5   4   6   3  10   5   4  12
   5   4   5   3   6   5   4  15   8   3   2   3   2   1   1  10
   6   5   7   5   4   1   3   2   1   1   3   2   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    48    49    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    48    49    50    40    41    44  
   35    36  
   36  
    0  
   38    39    42    43    45    48    49    40    41    44    46    47  
   39    42    43    45    48    50    40    41    44  
   42    43    45    40  
   41    44    46    51    86    95    47    53    42    48  
   44    46    47  
   43    45    48    49    50    56  
   45    48    50  
   46    51    52    59    74    86    95    47    53    54    55    61  
   48    49    50    56    57    58    64  
   51    52    59    60    67    74    75    86    95    47    53  
   53    54    55    61    62    63    69    51    74    86    95  
   49    50    56  
   50  
   56    57    58    64    65    66    72  
   52    59    60    67    68    74    86    95  
   59    60    67    86  
   54    55    61    62    63    69    70    71    76    86    95  
   55    61    62    63    69    95  
   61    62    63    69    95  
   57    58    64    65    66    72    73    80    83  
   58    64    65    66    72  
   64    65    66    72  
   60    67    68    74    75    86  
   67    68    74  
   62    63    69    70    71    76    77    78    79    95  
   63    69    70    71    76  
   69    70    71    76  
   65    66    72    73    80    81    82    87    83    84    85    91  
   66    72    73    80    83  
   72    73    80    83  
   68    74    75    86    95  
   74    75    86  
   70    71    76    77    78    79  
   71    76    77    78    79  
   76    77    78    79  
   73    80    81    82    87    88    89    90    83    84    85    91    92    93    94  
   80    81    82    87    83    84    85    91  
   75    86    95  
   86    95  
   77    78    79  
   78    79  
   79  
    0  
   81    82    87    88    89    90    83    84    85    91  
   82    87    88    89    90    83  
   87    88    89    90    83  
   84    85    91    92    93    94    87  
   85    91    92    93    94  
   91    92    93    94  
   95  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.6000  -0.100000   2.1120   1.8750   0.001000000  -0.848554734
   44   3.5500   0.0700  -0.387700   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.7500   0.6000  -0.100000   2.1120   1.8750   0.001000000  -0.848554734
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   73   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
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   250.000  1.760
   33    37   469.000  1.400
   33    48   469.000  1.400
   37    38   469.000  1.400
   37    40   310.000  1.470
   38    39   367.000  1.080
   38    42   469.000  1.400
   42    43   268.000  2.091
   42    45   469.000  1.400
   45    48   469.000  1.400
   45    50   450.000  1.364
   48    49   268.000  2.091
   50    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   367.000  1.471
   72    73   434.000  1.010
   72    80   367.000  1.471
   72    83   367.000  1.471
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   40    41   570.000  1.229
   40    44   345.000  1.446
   44    46   380.000  1.440
   44    47   520.000  1.370
   46    51   469.000  1.404
   46    86   447.000  1.419
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    86   469.000  1.400
   86    95   425.000  1.380
   95    47   340.000  1.360
   47    53   295.000  1.489
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    48    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    60.00000  119.52600
   33    48    45    63.00000  120.00000
   33    48    49    63.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    42    63.00000  120.00000
   37    40    41    75.00000  123.78400
   37    40    44    65.00000  116.00000
   38    42    43    63.00000  120.00000
   38    42    45    63.00000  120.00000
   42    38    39    35.00000  120.00000
   42    45    48    63.00000  120.00000
   42    45    50    70.00000  120.00000
   45    42    43    63.00000  120.00000
   45    48    49    63.00000  120.00000
   45    50    56    75.00000  111.00000
   48    33    37    63.00000  120.00000
   50    45    48    70.00000  120.00000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    64    50.00000  109.50000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    72    80.00000  111.20000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    72    73    35.00000  109.50000
   64    72    80    75.00000  113.01200
   64    72    83    75.00000  113.01200
   66    64    65    33.00000  107.80000
   72    64    65    35.00000  109.50000
   72    64    66    35.00000  109.50000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    87    80.00000  111.20000
   72    83    84    35.00000  109.50000
   72    83    85    35.00000  109.50000
   72    83    91    80.00000  111.20000
   80    72    73    35.00000  109.50000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    72    73    35.00000  109.50000
   83    72    80    75.00000  113.01200
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    94    37.50000  110.70000
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   40    37    38    60.00000  119.52600
   40    44    46    50.00000  130.14000
   40    44    47    60.00000  123.95000
   44    40    41    75.00000  126.12000
   44    46    51    50.00000  134.85500
   44    46    86    80.00000  107.43600
   44    47    95    70.00000  108.00000
   44    47    53    55.00000  130.44200
   46    51    52    35.00000  120.00000
   46    51    59    63.00000  120.00000
   46    86    74    85.00000  122.70000
   46    86    95   100.00000  108.43400
   51    59    60    35.00000  120.00000
   51    59    67    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    74    63.00000  120.00000
   67    59    60    35.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    86    85.00000  120.00000
   74    67    68    35.00000  120.00000
   74    86    95    70.00000  124.10000
   86    46    51    85.00000  116.20000
   86    74    75    35.00000  120.00000
   86    95    47   110.00000  105.28000
   95    47    53    80.00000  116.10000
   47    44    46    80.00000  105.82900
   47    53    54    45.00000  110.47400
   47    53    55    45.00000  110.47400
   47    53    61    70.00000  113.44400
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    69    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    76    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    48   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    48    45   3.62500 -1.0 2.0
   29    33    48    49   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    40    41   1.05000 -1.0 2.0
   33    37    40    44   0.56600 -1.0 2.0
   37    33    48    45   3.62500 -1.0 2.0
   37    33    48    49   3.62500 -1.0 2.0
   37    38    42    43   3.62500 -1.0 2.0
   37    38   -42    45   3.62500 -1.0 2.0
   37    40    44    46   0.56600 -1.0 2.0
   37    40    44    47   0.56600 -1.0 2.0
   38    37    40    41   1.05000 -1.0 2.0
   38    37    40    44   0.56600 -1.0 2.0
   38    42    45    48   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   39    38    42    43   3.62500 -1.0 2.0
   39    38    42    45   3.62500 -1.0 2.0
   42    45   -48    33   3.62500 -1.0 2.0
   42    45    48    49   3.62500 -1.0 2.0
   42    45    50    56   1.63200 -1.0 2.0
   43    42    45    48   3.62500 -1.0 2.0
   43    42    45    50   3.62500 -1.0 2.0
   45    50    56    57   0.08050  1.0 3.0
   45    50    56    58   0.08050  1.0 3.0
   45    50    56    64  -0.32850  1.0 1.0
   45    50    56    64  -0.35800 -1.0 2.0
   45    50    56    64   0.33950  1.0 3.0
   48    33   -37    38   3.62500 -1.0 2.0
   48    33    37    40   3.62500 -1.0 2.0
   48    45    50    56   1.63200 -1.0 2.0
   50    45    48    33   3.62500 -1.0 2.0
   50    45    48    49   3.62500 -1.0 2.0
   50    56    64    65   0.23400  1.0 3.0
   50    56    64    66   0.23400  1.0 3.0
   50    56    64    72   1.69300  1.0 1.0
   50    56    64    72  -0.48450 -1.0 2.0
   56    64    72    73   0.17350  1.0 3.0
   56    64    72    80   0.47100  1.0 1.0
   56    64    72    83   0.47100  1.0 1.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    72   0.19200  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    72   0.19200  1.0 3.0
   64    72    80    81   0.15000  1.0 3.0
   64    72    80    82   0.15000  1.0 3.0
   64    72    80    87   0.47100  1.0 1.0
   64    72    83    84   0.15000  1.0 3.0
   64    72    83    85   0.15000  1.0 3.0
   64    72    83    91   0.47100  1.0 1.0
   65    64    72    73   0.13050  1.0 3.0
   65    64    72    80   0.15000  1.0 3.0
   65    64    72    83   0.15000  1.0 3.0
   66    64    72    73   0.13050  1.0 3.0
   66    64    72    80   0.15000  1.0 3.0
   66    64    72    83   0.15000  1.0 3.0
   72    80    87    88   0.19200  1.0 3.0
   72    80    87    89   0.19200  1.0 3.0
   72    80    87    90   0.19200  1.0 3.0
   72    83    91    92   0.19200  1.0 3.0
   72    83    91    93   0.19200  1.0 3.0
   72    83    91    94   0.19200  1.0 3.0
   73    72    80    81   0.13050  1.0 3.0
   73    72    80    82   0.13050  1.0 3.0
   73    72    80    87   0.17350  1.0 3.0
   73    72    83    84   0.13050  1.0 3.0
   73    72    83    85   0.13050  1.0 3.0
   73    72    83    91   0.17350  1.0 3.0
   80    72    83    84   0.15000  1.0 3.0
   80    72    83    85   0.15000  1.0 3.0
   80    72    83    91   0.47100  1.0 1.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90   0.15000  1.0 3.0
   83    72    80    81   0.15000  1.0 3.0
   83    72    80    82   0.15000  1.0 3.0
   83    72    80    87   0.47100  1.0 1.0
   84    83    91    92   0.15000  1.0 3.0
   84    83    91    93   0.15000  1.0 3.0
   84    83    91    94   0.15000  1.0 3.0
   85    83    91    92   0.15000  1.0 3.0
   85    83    91    93   0.15000  1.0 3.0
   85    83    91    94   0.15000  1.0 3.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    42   3.62500 -1.0 2.0
   40    44    46    51   3.62500 -1.0 2.0
   40    44    46    86   3.62500 -1.0 2.0
   40    44    47    95   3.62500 -1.0 2.0
   40    44    47    53   3.62500 -1.0 2.0
   41    40    44    46   1.05000 -1.0 2.0
   41    40    44    47   1.05000 -1.0 2.0
   44    46    51    52   3.62500 -1.0 2.0
   44    46    51    59   3.62500 -1.0 2.0
   44    46    86    74   3.00000 -1.0 2.0
   44    46   -86    95   3.62500 -1.0 2.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    55   0.00000  1.0 1.0
   44    47    53    61   0.04150 -1.0 2.0
   46    44   -47    95   3.62500 -1.0 2.0
   46    44    47    53   3.62500 -1.0 2.0
   46    51    59    60   3.62500 -1.0 2.0
   46    51    59    67   3.62500 -1.0 2.0
   46    86   -95    47   3.62500 -1.0 2.0
   51    46    86    74   3.00000 -1.0 2.0
   51    46    86    95   3.62500 -1.0 2.0
   51    59    67    68   3.62500 -1.0 2.0
   51    59   -67    74   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   52    51    59    67   3.62500 -1.0 2.0
   59    67    74    75   3.62500 -1.0 2.0
   59    67    74    86   3.62500 -1.0 2.0
   60    59    67    68   3.62500 -1.0 2.0
   60    59    67    74   3.62500 -1.0 2.0
   67    74   -86    46   3.62500 -1.0 2.0
   67    74    86    95   3.62500 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    86   3.62500 -1.0 2.0
   74    86    95    47   3.62500 -1.0 2.0
   75    74    86    46   3.62500 -1.0 2.0
   75    74    86    95   3.62500 -1.0 2.0
   86    46    51    52   3.50000 -1.0 2.0
   86    46   -51    59   3.50000 -1.0 2.0
   86    95   -47    44   3.62500 -1.0 2.0
   86    95    47    53   3.62500 -1.0 2.0
   95    47    53    54   0.00000  1.0 1.0
   95    47    53    55   0.00000  1.0 1.0
   95    47    53    61   0.38650  1.0 1.0
   95    47    53    61  -0.24750 -1.0 2.0
   95    47    53    61   0.76750  1.0 3.0
   47    44    46    51   3.62500 -1.0 2.0
   47    44   -46    86   3.50000 -1.0 2.0
   47    53    61    62   0.43200  1.0 3.0
   47    53    61    63   0.43200  1.0 3.0
   47    53    61    69  -0.03700  1.0 1.0
   47    53    61    69   0.37200 -1.0 2.0
   47    53    61    69  -0.47300  1.0 3.0
   53    61    69    70   0.15000  1.0 3.0
   53    61    69    71   0.15000  1.0 3.0
   53    61    69    76   0.56750  1.0 1.0
   53    61    69    76  -0.07550 -1.0 2.0
   53    61    69    76   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    69   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    69   0.15000  1.0 3.0
   61    69    76    77   0.15000  1.0 3.0
   61    69    76    78   0.15000  1.0 3.0
   61    69    76    79   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    76   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    76   0.15000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    78   0.15000  1.0 3.0
   71    69    76    79   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    48    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   45    43    42    38   4.00000 -1.0 2.0
   48    50    45    42   4.00000 -1.0 2.0
   45    49    48    33   4.00000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   46    47    44    40   4.00000 -1.0 2.0
   51    86    46    44   4.00000 -1.0 2.0
   59    52    51    46   1.10000 -1.0 2.0
   67    60    59    51   1.10000 -1.0 2.0
   74    68    67    59   1.10000 -1.0 2.0
   86    75    74    67   1.10000 -1.0 2.0
   74    95    86    46   4.00000 -1.0 2.0
   95    53    47    44   4.00000 -1.0 2.0
END
