* LIGAND DATABASE FILE (OPLS2005)
*
001      97   101    194    319     584
    1     0 S   NP   _N1_     1    28.69155    98.81230   -18.41358
    2     1 S   H    _HN1     2     1.02785    79.98590  -100.78005
    3     1 S   H    _H1_     3     1.02960    69.33595    13.26491
    4     1 S   H    _H2_     4     1.02836    57.89260   140.62225
    5     1 S   CT   _CA1     5     1.50114   166.37409   104.75522
    6     5 S   HC   _HA1     6     1.09575   105.22973    91.16343
    7     5 S   CO3  _C1_     7     1.53725   112.42714   -29.04496
    8     7 S   O2Z  _O11     8     1.26338   115.01099   -43.82441
    9     7 S   O2Z  _O12     9     1.26255   114.96445   135.27928
   10     5 S   CT   _CB1    10     1.53074   107.42112  -150.93620
   11    10 S   HC   HB11    11     1.09823   109.27119   -51.11150
   12    10 S   HC   HB12    12     1.09819   110.45924    65.44071
   13    10 S   CT   _CG1    13     1.52986   112.65315  -172.23176
   14    13 S   HC   HG11    14     1.09622   110.43081   -64.92425
   15    13 S   HC   HG12    15     1.09655   109.97580    54.27579
   16    13 S   C    _CD1    16     1.51832   112.34169   174.58470
   17    16 S   O    _OE1    17     1.22726   123.29812    -1.68656
   18    16 S   N    _N2_    18     1.38486   111.57582   178.22579
   19    18 S   H    _HN2    19     1.01559   118.93794     4.94918
   20    18 S   CT1  _CA2    20     1.45937   123.26402   178.49182
   21    20 S   HC   _HA2    21     1.09714   109.24932    14.51445
   22    20 S   C    _C2_    22     1.52837   106.95610  -102.52178
   23    22 S   O    _O2_    23     1.22980   123.03601   -25.39944
   24    20 S   CT   _CB2    32     1.53145   111.66834   137.57891
   25    24 S   HC   HB21    33     1.09581   109.84317    53.37775
   26    24 S   HC   HB22    34     1.09475   110.64644   172.51119
   27    22 S   N    _N3_    24     1.38476   112.56218   157.23643
   28    27 S   H    _HN3    25     1.01668   120.34710    -1.90629
   29    24 S   S    _SG2    35     1.82699   110.51992   -67.38640
   30    27 S   CT   _CA3    26     1.45356   122.50309   178.64737
   31    30 S   HC   HA31    27     1.09567   107.79573   -56.06628
   32    30 S   HC   HA32    28     1.09561   107.62980    60.27401
   33    29 S   CT   _C25    36     1.85872    99.96519   163.13709
   34    33 S   HC   _H7_    37     1.09634   105.98279   -36.44785
   35    30 S   CO3  _C3_    29     1.52889   114.30492  -177.96260
   36    35 S   O2Z  _O31    30     1.26337   116.04446    -0.33338
   37    35 S   O2Z  _O32    31     1.26430   114.41632   179.63096
   38    33 S   CM   _C24    38     1.51029   104.74713    78.12478
   39    38 S   HC   _H29    39     1.08856   117.22542   -78.51732
   40    38 S   CMA  _C23    40     1.34684   123.47740    99.63042
   41    40 S   OM   _O37    41     1.25931   130.77152  -177.86907
   42    40 S   CM   _C22    42     1.46187   117.71263     2.83725
   43    42 S   HC   _H28    43     1.09016   117.82237  -171.20400
   44    42 S   CM   _C21    44     1.35005   123.18595    15.97504
   45    44 S   CT   _C20    45     1.50811   119.51340   166.75745
   46    45 S   HC   _H26    46     1.09780   108.09699   -94.84644
   47    45 S   HC   _H27    47     1.09705   111.04972    21.38840
   48    45 S   CT   _C19    48     1.51943   113.95233   144.32279
   49    48 S   HC   _H24    49     1.09638   108.35248   173.23882
   50    48 S   HC   _H25    50     1.09777   109.38782   -71.01839
   51    48 S   CT   _C9_    51     1.53792   111.99524    51.63320
   52    51 S   HC   _H4_    52     1.09389   108.29075    62.19948
   53    51 S   CT   _C10    53     1.53802   109.80321  -178.13083
   54    53 S   HC   _H5_    54     1.10058   105.90525    61.01546
   55    51 S   CT   _C8_    67     1.56137   109.43590   -58.48310
   56    55 S   F    F1__    68     1.38347   103.40352   -57.86803
   57    53 S   CT   _C11    55     1.52747   118.72147   -57.57979
   58    57 S   HC   _H13    56     1.09582   110.22213   -44.73262
   59    57 S   HC   _H14    57     1.09469   111.95349    75.81506
   60    33 S   CT   _C26    69     1.59369   117.32859  -155.88374
   61    57 S   CT   _C12    58     1.54158   103.94975  -162.82761
   62    61 S   HC   _H6_    59     1.09417   109.37432   135.52194
   63    60 S   CT   _C27    70     1.56109   106.74448   161.47802
   64    63 S   HC   _H30    71     1.09371   112.15160   -48.65486
   65    63 S   HC   _H31    72     1.09397   112.50635  -170.43248
   66    63 S   HC   _H32    73     1.09743   111.85514    69.69950
   67    61 S   CT   _C13    60     1.54056   107.20860    10.30045
   68    53 S   CT   _C5_    61     1.54713   113.87162   179.84549
   69    67 S   OS   _O33    80     1.42645   104.20359   -98.80304
   70    67 S   CO4  _C17    91     1.53842   113.23955   143.15175
   71    70 S   O    _O35    92     1.23269   121.46020   -24.86603
   72    68 S   CT   _C6_    62     1.54327   106.56720   -61.95491
   73    72 S   HC   _H11    63     1.09719   109.98271   -65.02311
   74    72 S   HC   _H12    64     1.09518   109.65823   177.81099
   75    68 S   CT   _C4_    76     1.55158   113.06727    60.16656
   76    75 S   HC   _H8_    77     1.09508   112.39432    67.73584
   77    75 S   HC   _H9_    78     1.09143   113.32879   -52.40507
   78    75 S   HC   _H10    79     1.09608   110.55896  -172.67458
   79    69 S   CO   _C14    81     1.42890   107.25247   -21.17149
   80    70 S   CT   _C18    93     1.52000   117.27732   156.36861
   81    80 S   HC   _H21    94     1.08986   109.71411    57.40471
   82    80 S   HC   _H22    95     1.09196   109.26378   -64.04131
   83    72 S   CT   _C7_    65     1.54690   113.24475    55.74417
   84    83 S   HC   _H3_    66     1.09456   106.53357  -170.96956
   85    61 S   OS   _O34    82     1.42544   110.47443  -105.49187
   86    79 S   CT   _C15    83     1.52617   109.65605  -103.36320
   87    86 S   HC   _H15    84     1.09528   110.97029    62.83926
   88    86 S   HC   _H16    85     1.09467   111.33590   -56.59363
   89    86 S   HC   _H17    86     1.09529   111.19369  -178.53593
   90    79 S   CT   _C16    87     1.52353   108.77222   135.82707
   91    90 S   HC   _H18    88     1.09520   110.76098   -61.21084
   92    90 S   HC   _H19    89     1.09512   111.32164   179.97202
   93    90 S   HC   _H20    90     1.09511   111.29391    57.88559
   94    80 S   OH   _O36    96     1.41448   110.63506   176.78807
   95    94 S   HO   _H23    97     0.97270   106.81909   178.56523
   96    83 S   OH   _O38    74     1.42029   109.07421    74.76117
   97    96 S   HO   _H33    75     0.97249   107.86443    57.28250
  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   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  12   6   5   8  13   6   4   2
   1   1  20  16  15  10   4  10   5   4   4   2   1   1   9   4
   3   2   3   2   8   7   3   2   1   3   2   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    83    55    56    60    63    64    65    66  
   38    39    40    44    55    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    63  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    63  
   44    45    60  
   45    46    47    48    49    50    51    83    55    56    60    63    64    65    66  
   46    47    48    49    50    51    52    53    55    60    63  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    68    83    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    68    72    83    84    55    56    60    63    96    75  
   53    54    57    68    83    55    56    60  
   54    57    58    59    61    62    67    68    72    73    74    83    55    56    60    75    76    77    78    69    85    70  
   57    58    59    61    67    68    72    55    75  
   56    60    63    64    65    66    96    97    57    68    72    73    74    83    84  
   60    63    96    72    83    84  
   58    59    61    62    67    68    72    75    69    79    85    70  
   59    61    62    67    68    85  
   61    62    67    68    85  
   63    64    65    66    96    72    83    84  
   62    67    68    72    75    69    79    85    86    90    70    71    80  
   67    68    69    79    85    70  
   64    65    66    83  
   65    66  
   66  
    0  
   68    72    73    74    83    75    76    77    78    69    79    85    86    90    70    71    80    81    82    94  
   72    73    74    83    84    96    75    76    77    78    69    79    85    70    71    80  
   79    85    86    87    88    89    90    91    92    93    70    71    80    72    75  
   71    80    81    82    94    95    72    75    79    85  
   80    81    82    94  
   73    74    83    84    96    97    75    76    77    78  
   74    83    84    96    75  
   83    84    96    75  
   76    77    78    83  
   77    78  
   78  
    0  
   85    86    87    88    89    90    91    92    93  
   81    82    94    95  
   82    94    95  
   94    95  
   84    96    97  
   96    97  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93  
   92    93  
   93  
    0  
   95  
    0  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    68   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    85   320.000  1.410
   67    68   268.000  1.529
   67    69   320.000  1.410
   67    70   317.000  1.522
   68    72   268.000  1.529
   68    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    83   268.000  1.529
   83    84   340.000  1.090
   83    55   268.000  1.529
   83    96   320.000  1.410
   55    56   367.000  1.332
   55    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   96    97   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    79   320.000  1.380
   79    85   320.000  1.380
   79    86   250.000  1.527
   79    90   250.000  1.527
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   70    71   570.000  1.229
   70    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    94   320.000  1.410
   94    95   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    63    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    68    58.35000  112.70000
   51    55    83    58.35000  112.70000
   51    55    56    50.00000  109.50000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    68    67    58.35000  112.70000
   53    68    72    58.35000  112.70000
   53    68    75    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    85    50.00000  109.50000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    68    58.35000  112.70000
   61    67    69    50.00000  109.50000
   61    67    70    63.00000  111.10000
   61    85    79    60.00000  109.50000
   67    61    62    37.50000  110.70000
   67    68    72    58.35000  112.70000
   67    68    75    58.35000  112.70000
   67    69    79    60.00000  109.50000
   67    70    71    80.00000  120.40000
   67    70    80    70.00000  116.00000
   68    53    54    37.50000  110.70000
   68    53    57    58.35000  112.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    83    58.35000  112.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    37.50000  110.70000
   72    83    84    37.50000  110.70000
   72    83    55    58.35000  112.70000
   72    83    96    50.00000  109.50000
   74    72    73    33.00000  107.80000
   83    72    73    37.50000  110.70000
   83    72    74    37.50000  110.70000
   83    55    56    50.00000  109.50000
   83    55    60    58.35000  112.70000
   83    96    97    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    83    84    37.50000  110.70000
   55    60    63    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   96    83    84    35.00000  109.50000
   96    83    55    50.00000  109.50000
   75    68    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    67    68    50.00000  109.50000
   69    79    85    92.60000  111.55000
   69    79    86    90.00000  108.56700
   69    79    90    90.00000  108.56700
   79    86    87    45.00000  108.72000
   79    86    88    45.00000  108.72000
   79    86    89    45.00000  108.72000
   79    90    91    45.00000  108.72000
   79    90    92    45.00000  108.72000
   79    90    93    45.00000  108.72000
   85    61    62    35.00000  109.50000
   85    61    67    50.00000  109.50000
   86    79    85    90.00000  108.56700
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    79    85    90.00000  108.56700
   90    79    86    65.00000  112.71400
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   70    67    68    63.00000  111.10000
   70    67    69    90.00000  108.74100
   70    80    81    35.00000  109.50000
   70    80    82    35.00000  109.50000
   70    80    94    90.00000  109.61100
   80    70    71    80.00000  120.40000
   80    94    95    55.00000  108.50000
   82    80    81    33.00000  107.80000
   94    80    81    35.00000  109.50000
   94    80    82    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.56750  1.0 1.0
   29    33    60    44  -0.07550 -1.0 2.0
   29    33    60    44   0.20000  1.0 3.0
   29    33    60    55   0.44750  1.0 1.0
   29    33    60    55  -0.17800 -1.0 2.0
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   85    79    90    91   0.23400  1.0 3.0
   85    79    90    92   0.23400  1.0 3.0
   85    79    90    93   0.23400  1.0 3.0
   86    79    85    61   0.06250  1.0 1.0
   86    79    85    61  -0.01100 -1.0 2.0
   86    79    85    61   0.28050  1.0 3.0
   86    79    90    91   0.15000  1.0 3.0
   86    79    90    92   0.15000  1.0 3.0
   86    79    90    93   0.15000  1.0 3.0
   90    79    85    61   0.06250  1.0 1.0
   90    79    85    61  -0.01100 -1.0 2.0
   90    79    85    61   0.28050  1.0 3.0
   90    79    86    87   0.15000  1.0 3.0
   90    79    86    88   0.15000  1.0 3.0
   90    79    86    89   0.15000  1.0 3.0
   70    67    68    53  -0.95700  1.0 1.0
   70    67    68    53  -0.18200 -1.0 2.0
   70    67    68    53   0.29450  1.0 3.0
   70    67    68    72  -0.95700  1.0 1.0
   70    67    68    72  -0.18200 -1.0 2.0
   70    67    68    72   0.29450  1.0 3.0
   70    67    68    75  -0.95700  1.0 1.0
   70    67    68    75  -0.18200 -1.0 2.0
   70    67    68    75   0.29450  1.0 3.0
   70    67    69    79  -1.11000  1.0 1.0
   70    67    69    79   0.50250 -1.0 2.0
   70    67    69    79   0.47450  1.0 3.0
   70    80    94    95   0.91850  1.0 1.0
   70    80    94    95   0.57950  1.0 3.0
   71    70    80    81   0.00000  1.0 1.0
   71    70    80    82   0.00000  1.0 1.0
   71    70    80    94   0.30150 -1.0 2.0
   81    80    94    95   0.19450  1.0 3.0
   82    80    94    95   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   67    80    70    71  10.50000 -1.0 2.0
END
