* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    165    250     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047    72.78357    64.66404
    3     1 S   H    _H1_     3     1.02114    41.04235  -145.24090
    4     1 S   H    _H2_     4     1.02076   102.72694   -41.26647
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C19    36     1.83485    97.76150  -178.16645
   34    33 S   HC   _H6_    37     1.09623   106.36426    35.02506
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C18    38     1.51101   107.70070   -79.99419
   39    38 S   HC   _H18    39     1.08964   114.71454   -64.70810
   40    33 S   CT   _C20    87     1.53425   108.69774   151.87166
   41    40 S   HC   _H19    88     1.09860   110.71097    62.48797
   42    40 S   HC   _H20    89     1.09974   109.51300   -54.72328
   43    38 S   CM   _C17    40     1.34316   127.05832   114.32512
   44    43 S   HC   _H17    41     1.08556   120.30217  -179.69674
   45    40 S   CO3  _C21    90     1.53600   116.05938  -173.39330
   46    45 S   O2Z  _O36    91     1.26506   114.17264   174.75103
   47    45 S   O2Z  _O35    92     1.26154   116.45376    -4.73168
   48    43 S   CM   _C16    42     1.44583   122.99743    -0.06256
   49    48 S   HC   _H16    43     1.08677   117.39320    -0.03956
   50    48 S   CM   _C15    44     1.34132   123.10614  -180.00000
   51    50 S   HC   _H15    45     1.08924   119.77049     0.01978
   52    50 S   CT   _C14    46     1.50330   123.62060   179.91844
   53    52 S   HC   _H5_    47     1.09662   110.29413     0.07913
   54    52 S   C3T  _C22    48     1.50217   114.05349   122.79314
   55    52 S   OS   _O34    57     1.42872   107.46087  -116.36890
   56    54 S   C3T  _C23    49     1.50163   119.73462   -93.55570
   57    56 S   HC   _H21    50     1.08258   118.76579     5.57197
   58    56 S   HC   _H22    51     1.08259   118.77974   152.96824
   59    54 S   CT   _C24    53     1.48176   117.10108    65.59423
   60    59 S   HC   _H23    54     1.10510   112.06279    20.85864
   61    59 S   HC   _H24    55     1.10543   112.02832   -99.16851
   62    59 S   HC   _H25    56     1.10534   112.00220   140.89964
   63    55 S   CO4  _C13    58     1.36712   115.58952    88.49777
   64    63 S   O    _O33    59     1.22478   125.67777    -0.00000
   65    54 S   O3T  _O37    52     1.43395   113.39708  -159.37202
   66    63 S   CT1  _C12    60     1.51884   109.53440   178.21842
   67    66 S   HC   _H4_    61     1.09605   109.86296     1.74608
   68    66 S   CT   _C5_    62     1.54410   111.50760  -123.15453
   69    68 S   HC   _H3_    63     1.09910   108.06191   -55.41880
   70    66 S   N    _N4_    79     1.44304   104.54543   115.24777
   71    70 S   H    _H26    80     1.01722   118.36447    93.91003
   72    68 S   CA   _C6_    64     1.52292   112.00961    63.66045
   73    68 S   CT   _C4_    75     1.53578   111.81948  -172.26889
   74    73 S   HC   _H7_    76     1.09578   111.88641   -62.14063
   75    73 S   HC   _H8_    77     1.09671   110.95806   177.54091
   76    73 S   HC   _H9_    78     1.09500   111.11224    58.21940
   77    70 S   C    _C25    81     1.38285   123.24287   -86.10403
   78    77 S   O    _O38    82     1.22493   126.34527     0.00000
   79    72 S   CA   _C7_    65     1.39462   120.04135    35.05683
   80    79 S   HA   _H10    66     1.08725   120.51199     0.06256
   81    77 S   CT   _C26    83     1.49309   114.09061   179.87028
   82    81 S   HC   _H27    84     1.10233   112.38280    90.01906
   83    81 S   HC   _H28    85     1.10182   112.43974  -151.35716
   84    81 S   HC   _H29    86     1.10116   115.35775   -30.64696
   85    79 S   CA   _C8_    67     1.39437   119.98978   179.97202
   86    85 S   HA   _H11    68     1.08566   120.01230   179.96044
   87    85 S   CA   _C9_    69     1.39555   120.02649     0.03956
   88    87 S   HA   _H12    70     1.08536   120.01939   179.88297
   89    87 S   CA   _C10    71     1.39488   119.96018    -0.00000
   90    89 S   HA   _H13    72     1.08612   120.00920   179.94065
   91    72 S   CA   _C11    73     1.39527   119.91906  -144.91126
   92    91 S   HA   _H14    74     1.08686   120.50581     0.00000
  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
  12   7   2   1   1  10   4   6   4   3   6   3   2   1   1   7
   3   9   4  14   6  10   9   7   3   2   4   3   2   1  10   4
   1  15   7  15   8   9   3  13   5   2   1   1   5   4   8   4
   3   2   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    43  
   42    45    46    47  
   45    46    47  
   44    48    49    50    51    52  
   48    49    50  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52    53    54    56    65    59    55    63  
   52    53    54    55  
   53    54    56    57    58    65    59    60    61    62    55    63    64    66  
   54    56    65    59    55    63  
   56    57    58    65    59    60    61    62    55    63  
   63    64    66    67    68    70    56    59    65  
   57    58    65    59    60    61    62  
   58    65    59  
   65    59  
   60    61    62    65  
   61    62    65  
   62    65  
   65  
   64    66    67    68    69    72    73    70    71    77  
   66    67    68    70  
    0  
   67    68    69    72    79    91    73    74    75    76    70    71    77    78    81  
   68    69    72    73    70    71    77  
   69    72    79    80    85    89    91    92    73    74    75    76    70    71    77  
   72    79    91    73    74    75    76    70  
   71    77    78    81    82    83    84    72    73  
   77    78    81  
   79    80    85    86    87    89    90    91    92    73    74    75    76  
   74    75    76    79    91  
   75    76  
   76  
    0  
   78    81    82    83    84  
   81    82    83    84  
   80    85    86    87    88    89    91    92  
   85    86    87    91  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.305500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   380.000  1.444
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    65   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    65   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    63   214.000  1.327
   63    64   570.000  1.229
   63    66   255.000  1.522
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   337.000  1.449
   68    69   340.000  1.090
   68    72   317.000  1.510
   68    73   268.000  1.529
   72    79   469.000  1.400
   72    91   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   70    71   434.000  1.010
   70    77   490.000  1.335
   77    78   570.000  1.229
   77    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    48    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    50    70.00000  123.01800
   48    43    44    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    55    85.00000  110.90400
   52    50    51    35.00000  117.00000
   52    54    56    60.00000  120.94000
   52    54    65    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    63    83.00000  116.90000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    65    15.00000   60.43100
   54    65    56    15.00000   59.14900
   54    59    60    45.00000  109.38400
   54    59    61    45.00000  109.38400
   54    59    62    45.00000  109.38400
   58    56    57    35.00000  114.30000
   65    54    56    15.00000   60.43100
   65    56    57    50.00000  114.27700
   65    56    58    50.00000  114.27700
   59    54    56    60.00000  120.94000
   59    54    65    80.00000  116.47100
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    63    64    83.00000  123.40000
   55    63    66    90.00000  109.72300
   63    66    67    45.00000  110.09800
   63    66    68    70.00000  110.61500
   63    66    70    80.00000  110.29000
   66    63    64    75.00000  123.42600
   66    68    69    37.50000  110.70000
   66    68    72    63.00000  114.00000
   66    68    73    58.35000  112.70000
   66    70    71    38.00000  118.40000
   66    70    77    50.00000  121.90000
   68    66    67    37.50000  110.70000
   68    72    79    70.00000  120.00000
   68    72    91    70.00000  120.00000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   72    68    69    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    85    63.00000  120.00000
   72    91    89    63.00000  120.00000
   72    91    92    35.00000  120.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   91    72    79    63.00000  120.00000
   91    89    90    35.00000  120.00000
   73    68    69    37.50000  110.70000
   73    68    72    70.00000  112.17500
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    80.00000  109.70000
   70    77    78    80.00000  122.90000
   70    77    81    70.00000  116.60000
   77    70    71    35.00000  119.80000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   81    77    78    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   47    45    46    80.00000  126.00000
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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    48    49  -0.18600  1.0 3.0
   38    43    48    50   0.28850  1.0 1.0
   38    43    48    50   2.61350 -1.0 2.0
   38    43    48    50   0.78400  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    50    51   7.00000 -1.0 2.0
   43    48    50    52   7.00000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50  -0.18600  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.09850  1.0 1.0
   48    50    52    54   0.15250 -1.0 2.0
   48    50    52    54  -0.50650  1.0 3.0
   48    50    52    55   0.39000  1.0 1.0
   48    50    52    55  -0.05800 -1.0 2.0
   48    50    52    55  -0.55150  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    52    54    56   0.34400  1.0 1.0
   50    52    54    56   0.09450 -1.0 2.0
   50    52    54    56   0.11100  1.0 3.0
   50    52    54    65   0.61850  1.0 1.0
   50    52    54    65  -0.22750 -1.0 2.0
   50    52    54    65   0.15300  1.0 3.0
   50    52    54    59   0.34400  1.0 1.0
   50    52    54    59   0.09450 -1.0 2.0
   50    52    54    59   0.11100  1.0 3.0
   50    52    55    63  -0.82050  1.0 1.0
   50    52    55    63   0.00600 -1.0 2.0
   50    52    55    63   0.04400  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    65   0.02550  1.0 1.0
   52    54   -56    65  -0.02600 -1.0 2.0
   52    54   -56    65   1.20400  1.0 3.0
   52    54   -65    56   0.06250  1.0 1.0
   52    54   -65    56  -0.01100 -1.0 2.0
   52    54   -65    56   0.28050  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   52    54    59    62   0.15000  1.0 3.0
   52    55    63    64   3.00000 -1.0 2.0
   52    55    63    66   1.63150  1.0 1.0
   52    55    63    66   2.92000 -1.0 2.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    65   0.23400  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    55    63   0.08050  1.0 3.0
   54    52    55    63  -0.25900  1.0 1.0
   54    52    55    63  -0.47000 -1.0 2.0
   54    52    55    63   0.11750  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   57    56   -65    54   0.36800  1.0 3.0
   58    56   -65    54   0.36800  1.0 3.0
   65    54   -56    57   0.23400  1.0 3.0
   65    54   -56    58   0.23400  1.0 3.0
   65    54    59    60   0.23400  1.0 3.0
   65    54    59    61   0.23400  1.0 3.0
   65    54    59    62   0.23400  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54   -56    65   0.02550  1.0 1.0
   59    54   -56    65  -0.02600 -1.0 2.0
   59    54   -56    65   1.20400  1.0 3.0
   59    54   -65    56   0.06250  1.0 1.0
   59    54   -65    56  -0.01100 -1.0 2.0
   59    54   -65    56   0.28050  1.0 3.0
   55    52    54    56  -0.26800  1.0 1.0
   55    52    54    56   0.69150 -1.0 2.0
   55    52    54    56  -0.48750  1.0 3.0
   55    52    54    65   1.11900  1.0 1.0
   55    52    54    65  -1.16350 -1.0 2.0
   55    52    54    65  -0.34150  1.0 3.0
   55    52    54    59   0.62750  1.0 1.0
   55    52    54    59  -0.30950 -1.0 2.0
   55    52    54    59   0.27300  1.0 3.0
   55    63    66    67   0.00000  1.0 1.0
   55    63    66    68   0.36750  1.0 3.0
   55    63    66    70   0.40000  1.0 3.0
   63    66    68    69  -0.03800  1.0 3.0
   63    66    68    72  -0.84850  1.0 1.0
   63    66    68    72  -0.22800 -1.0 2.0
   63    66    68    72   0.29250  1.0 3.0
   63    66    68    73  -0.84850  1.0 1.0
   63    66    68    73  -0.22800 -1.0 2.0
   63    66    68    73   0.29250  1.0 3.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    77  -0.29800  1.0 1.0
   63    66    70    77   0.13950 -1.0 2.0
   63    66    70    77  -2.45650  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    70   0.00000  1.0 1.0
   66    68    72    79   0.00000  1.0 1.0
   66    68    72    91   0.00000  1.0 1.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    70    77    78   3.04450 -1.0 2.0
   66    70    77    81   1.15000  1.0 1.0
   66    70    77    81   3.04450 -1.0 2.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.23100  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    77   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    77   0.25950  1.0 1.0
   68    66    70    77   0.43850 -1.0 2.0
   68    66    70    77   2.61650  1.0 3.0
   68    72    79    80   3.62500 -1.0 2.0
   68    72    79    85   3.62500 -1.0 2.0
   68    72    91    89   3.62500 -1.0 2.0
   68    72    91    92   3.62500 -1.0 2.0
   69    68    72    79   0.00000  1.0 1.0
   69    68    72    91   0.00000  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   72    68    73    74   0.43200  1.0 3.0
   72    68    73    75   0.43200  1.0 3.0
   72    68    73    76   0.43200  1.0 3.0
   72    79    85    86   3.62500 -1.0 2.0
   72    79    85    87   3.62500 -1.0 2.0
   79    72    91    89   3.62500 -1.0 2.0
   79    72    91    92   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   79    85   -87    89   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89   -91    72   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    72   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    72    79    80   3.62500 -1.0 2.0
   91    72   -79    85   3.62500 -1.0 2.0
   73    68    72    79   0.04150 -1.0 2.0
   73    68    72    91   0.04150 -1.0 2.0
   70    66    68    69   0.23200  1.0 3.0
   70    66    68    72   0.42250  1.0 1.0
   70    66    68    72  -0.48100 -1.0 2.0
   70    66    68    72   0.35650  1.0 3.0
   70    66    68    73   0.42250  1.0 1.0
   70    66    68    73  -0.48100 -1.0 2.0
   70    66    68    73   0.35650  1.0 3.0
   70    77    81    82   0.00000  1.0 1.0
   70    77    81    83   0.00000  1.0 1.0
   70    77    81    84   0.00000  1.0 1.0
   71    70    77    78   2.45000 -1.0 2.0
   71    70    77    81   2.45000 -1.0 2.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47   0.00000  1.0 1.0
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    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   43    49    48    50  15.00000 -1.0 2.0
   52    51    50    48  15.00000 -1.0 2.0
   55    66    63    64  10.50000 -1.0 2.0
   79    91    72    68   4.00000 -1.0 2.0
   85    80    79    72   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   89    92    91    72   1.10000 -1.0 2.0
   71    77    70    66   1.00000 -1.0 2.0
   70    81    77    78  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
