* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    168    267     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085    88.05589   -72.26592
    3     1 S   H    _H1_     3     1.02052    92.42346    36.38126
    4     1 S   H    _H2_     4     1.02110    33.01129   157.95671
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C18    36     1.84927    97.26998  -178.14924
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.53765   109.42677   -39.96159
   38    33 S   CT   _C20    80     1.54742   104.89691    82.77727
   39    38 S   HC   _H17    81     1.07522   107.70510   -39.74599
   40    38 S   HC   _H18    82     1.07552   107.97109  -160.42060
   41    37 S   N4   _N8_    38     1.36539   115.97279   -79.32683
   42    37 S   CMA  _C17    77     1.34399   123.99973   104.85171
   43    42 S   OM   _O38    78     1.38701   118.71423  -179.94766
   44    42 S   OM   _O39    79     1.38644   118.64107     0.07662
   45    38 S   NAP  _N9_    83     1.41737   108.98602    79.90138
   46    41 S   C4   _C15    39     1.35306   138.19029  -169.84526
   47    46 S   O    _O37    40     1.20924   134.26109    -3.62288
   48    41 S   C4T  _C14    43     1.44984   124.64117    11.93741
   49    48 S   HC   _H4_    44     1.09563   113.50982    73.41687
   50    45 S   CA   _C21    84     1.42557   122.03443   107.00576
   51    50 S   HA   _H19    85     1.08520   116.71355    -0.06256
   52    46 S   C4T  _C13    41     1.54879    89.91657   173.83843
   53    52 S   HC   _H3_    42     1.09666   112.59826   120.67507
   54    48 S   S    _S2_    45     1.80671   112.06718   -58.69426
   55    50 S   CA   _C22    86     1.34170   122.30014   179.93744
   56    55 S   HA   _H20    87     1.08400   120.77653   179.98022
   57    33 S   CT   _C19    46     1.55546   110.63413  -162.57812
   58    57 S   HC   _H15    47     1.09769   108.63761  -167.36148
   59    57 S   HC   _H16    48     1.09701   110.61316   -51.56116
   60    52 S   N    _N7_    49     1.46318   113.37100  -112.79509
   61    60 S   H    _H14    50     1.00764   116.78393   113.18761
   62    55 S   CA   _C23    88     1.45123   121.45396    -0.00000
   63    62 S   HA   _H21    89     1.08588   116.68065   179.98022
   64    60 S   C    _C12    51     1.36631   122.23014   -67.58278
   65    64 S   O    _O36    52     1.22105   129.99528    -0.00000
   66    62 S   CA   _C24    90     1.34225   123.43566    -0.05234
   67    66 S   HA   _H22    91     1.08213   122.24174   179.97202
   68    64 S   CD   _C8_    53     1.50615   111.82221   179.80317
   69    45 S   CA   _C25    92     1.58206   121.55374   -73.14120
   70    69 S   HA   _H23    93     1.09632   123.06946     0.18767
   71    68 S   C5B  _C9_    54     1.48775   118.87434    90.01983
   72    68 S   NI   _N4_    63     1.29858   120.27250   -90.27388
   73    71 S   C5A  _C10    55     1.37886   123.77501  -179.94405
   74    73 S   HA   _H11    56     1.08183   128.97702    -0.06853
   75    72 S   OS   _O35    64     1.40173   111.77558    -0.01978
   76    73 S   SA   _S1_    57     1.71503   109.62730   179.76845
   77    75 S   CT   _C5_    65     1.41905   108.10557  -180.00000
   78    76 S   CRA  _C11    58     1.71597    89.17271     0.06256
   79    77 S   CO3  _C7_    66     1.54546   107.14708    60.04333
   80    79 S   O2Z  _O34    67     1.26361   115.90068    59.87829
   81    79 S   O2Z  _O33    68     1.26505   115.27011  -120.28120
   82    77 S   CT   _C4_    69     1.52472   108.38103   -64.06681
   83    82 S   HC   _H5_    70     1.09589   110.89054   -60.46676
   84    82 S   HC   _H6_    71     1.09535   111.74160   178.37237
   85    82 S   HC   _H7_    72     1.09581   110.94006    57.60645
   86    77 S   CT   _C6_    73     1.52615   107.81748   176.15758
   87    86 S   HC   _H8_    74     1.09646   111.56790    64.49646
   88    86 S   HC   _H9_    75     1.09491   111.55915   -56.62682
   89    86 S   HC   _H10    76     1.09584   110.76846  -177.59222
   90    71 S   N5B  _N5_    59     1.38146   120.33727    -0.17246
   91    78 S   NE   _N6_    60     1.35948   119.29022   180.00000
   92    91 S   H    _H12    61     1.02563   121.68351   176.84806
   93    91 S   H    _H13    62     1.02559   121.68476     3.03938
  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  12   5   4   3
  17   2   1   1  17  15   5   4  12   5   1   1  10   9   4  10
   5   8   4   8   4   4   6   3   2   1   1   6   3   5   3   7
   3   3   2   9   1   1   8   7   5   3  12   5  11   4  10   3
   2   7   3   2   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    69  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    66    69    70    41    42    54    57    58    59  
   40    45    50    69    57  
   45    50    69    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    66    67    69    70    57  
   47    52    53    48    49    54    60    61    64  
   52    53    48    60  
   49    54    57    58    59    60    61    64    52    53  
   54    57    60    52    53  
   51    55    56    62    63    66    69    70  
   55    56    62    69  
   53    54    57    60    61    64    65    68  
   54    60    61    64  
   57    58    59    60  
   56    62    63    66    67    69  
   62    63    66  
   58    59  
   59  
    0  
   61    64    65    68    71    72  
   64    65    68  
   63    66    67    69    70  
   66    67    69  
   65    68    71    73    90    72    75  
   68    71    72  
   67    69    70  
   69    70  
   71    73    74    76    78    90    72    75    77  
   70  
    0  
   73    74    76    78    90    91    72    75  
   75    77    79    82    86    73    90  
   74    76    78    90    91  
   76    78    90  
   77    79    80    81    82    83    84    85    86    87    88    89  
   78    90    91    92    93  
   79    80    81    82    83    84    85    86    87    88    89  
   90    91    92    93  
   80    81    82    83    84    85    86    87    88    89  
   81    82    86  
   82    86  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   68   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   73   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   77   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   91   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    64   490.000  1.335
   64    65   570.000  1.229
   64    68   270.000  1.486
   68    71   305.000  1.466
   68    72   500.000  1.261
   71    73   520.000  1.370
   71    90   410.000  1.394
   73    74   367.000  1.080
   73    76   265.000  1.745
   76    78   250.000  1.765
   78    90   488.000  1.335
   78    91   420.000  1.385
   91    92   434.000  1.010
   91    93   434.000  1.010
   72    75   320.000  1.394
   75    77   320.000  1.410
   77    79   317.000  1.522
   77    82   268.000  1.529
   77    86   268.000  1.529
   79    80   656.000  1.250
   79    81   656.000  1.250
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   280.000  1.457
   45    50   485.000  1.342
   45    69   485.000  1.342
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  109.47200
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    64    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    64    65    80.00000  122.90000
   60    64    68    75.00000  109.57000
   64    60    61    35.00000  119.80000
   64    68    71    75.00000  114.44000
   64    68    72    65.00000  123.79500
   68    64    65    80.00000  120.45000
   68    71    73    60.00000  121.09900
   68    71    90    60.00000  126.00000
   68    72    75   100.00000  109.52600
   71    73    74    35.00000  130.70000
   71    73    76    80.00000  111.29200
   71    90    78    70.00000  110.00000
   73    76    78   120.00000   89.04400
   76    73    74    40.00000  122.38200
   76    78    90    80.00000  114.57700
   76    78    91    70.00000  122.29500
   78    91    92    35.00000  113.50000
   78    91    93    35.00000  113.50000
   90    71    73    70.00000  111.00000
   91    78    90    75.00000  125.31200
   93    91    92    35.00000  109.00000
   72    68    71    65.00000  124.33800
   72    75    77   110.00000  106.71400
   75    77    79    85.00000  109.63000
   75    77    82    50.00000  109.50000
   75    77    86    50.00000  109.50000
   77    79    80    70.00000  117.00000
   77    79    81    70.00000  117.00000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   77    86    87    37.50000  110.70000
   77    86    88    37.50000  110.70000
   77    86    89    37.50000  110.70000
   81    79    80    80.00000  126.00000
   82    77    79    70.00000  109.69300
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    77    79    70.00000  109.69300
   86    77    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    70.00000  119.18700
   38    45    69    70.00000  119.18700
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  106.41000
   45    38    40    50.00000  106.41000
   45    50    51    45.00000  112.84900
   45    50    55    70.00000  119.29800
   45    69    66    70.00000  119.29800
   45    69    70    45.00000  112.84900
   50    55    56    35.00000  120.00000
   50    55    62    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    66    63.00000  120.00000
   62    55    56    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    69    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    69    70    35.00000  120.00000
   69    45    50    70.00000  123.81700
   69    66    67    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.00000  1.0 1.0
   33    38    45    69   0.00000  1.0 1.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    64  -0.42300  1.0 1.0
   46    52    60    64  -0.07000 -1.0 2.0
   46    52    60    64   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    64    65   3.04450 -1.0 2.0
   52    60    64    68   1.49850  1.0 1.0
   52    60    64    68   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    64   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    64  -0.43950  1.0 1.0
   48    52    60    64  -0.08100 -1.0 2.0
   48    52    60    64   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.56750  1.0 1.0
   57    33    38    45  -0.07550 -1.0 2.0
   57    33    38    45   0.20000  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    64    68    71   1.50000 -1.0 2.0
   60    64    68    72   1.50000 -1.0 2.0
   61    60    64    65   2.45000 -1.0 2.0
   61    60    64    68   2.56700 -1.0 2.0
   64    68    71    73   0.30050 -1.0 2.0
   64    68    71    73   0.16600  1.0 3.0
   64    68    71    90   0.30050 -1.0 2.0
   64    68    71    90   0.16600  1.0 3.0
   64    68    72    75   6.00000 -1.0 2.0
   65    64    68    71   1.00000 -1.0 2.0
   65    64    68    72   1.00000 -1.0 2.0
   68    71    73    74   3.62500 -1.0 2.0
   68    71    73    76   3.62500 -1.0 2.0
   68    71    90    78   3.62500 -1.0 2.0
   68    72    75    77   1.50000 -1.0 2.0
   71    68    72    75   6.00000 -1.0 2.0
   71    73   -76    78   3.62500 -1.0 2.0
   73    71   -90    78   2.40000 -1.0 2.0
   73    76   -78    90   3.62500 -1.0 2.0
   73    76    78    91   3.62500 -1.0 2.0
   74    73    76    78   3.62500 -1.0 2.0
   76    78   -90    71   3.62500 -1.0 2.0
   76    78    91    92   0.47600 -1.0 2.0
   76    78    91    93   0.47600 -1.0 2.0
   90    71    73    74   3.62500 -1.0 2.0
   90    71   -73    76   3.62500 -1.0 2.0
   90    78    91    92   1.75000 -1.0 2.0
   90    78    91    93   1.75000 -1.0 2.0
   91    78    90    71   3.62500 -1.0 2.0
   72    68    71    73   1.02250 -1.0 2.0
   72    68    71    90   1.02250 -1.0 2.0
   72    75    77    79   0.37500  1.0 3.0
   72    75    77    82   0.37500  1.0 3.0
   72    75    77    86   0.37500  1.0 3.0
   75    77    79    80   0.30150 -1.0 2.0
   75    77    79    81   0.30150 -1.0 2.0
   75    77    82    83   0.23400  1.0 3.0
   75    77    82    84   0.23400  1.0 3.0
   75    77    82    85   0.23400  1.0 3.0
   75    77    86    87   0.23400  1.0 3.0
   75    77    86    88   0.23400  1.0 3.0
   75    77    86    89   0.23400  1.0 3.0
   79    77    82    83  -0.11250  1.0 3.0
   79    77    82    84  -0.11250  1.0 3.0
   79    77    82    85  -0.11250  1.0 3.0
   79    77    86    87  -0.11250  1.0 3.0
   79    77    86    88  -0.11250  1.0 3.0
   79    77    86    89  -0.11250  1.0 3.0
   82    77    79    80   0.41150 -1.0 2.0
   82    77    79    81   0.41150 -1.0 2.0
   82    77    86    87   0.15000  1.0 3.0
   82    77    86    88   0.15000  1.0 3.0
   82    77    86    89   0.15000  1.0 3.0
   86    77    79    80   0.41150 -1.0 2.0
   86    77    79    81   0.41150 -1.0 2.0
   86    77    82    83   0.15000  1.0 3.0
   86    77    82    84   0.15000  1.0 3.0
   86    77    82    85   0.15000  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.62500 -1.0 2.0
   38    45    50    55   3.62500 -1.0 2.0
   38    45    69    66   3.62500 -1.0 2.0
   38    45    69    70   3.62500 -1.0 2.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    69   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    69   0.00000  1.0 1.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50    55    62   3.62500 -1.0 2.0
   50    45    69    66   3.62500 -1.0 2.0
   50    45    69    70   3.62500 -1.0 2.0
   50    55    62    63   3.62500 -1.0 2.0
   50    55   -62    66   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    62   3.62500 -1.0 2.0
   55    62    66    67   3.62500 -1.0 2.0
   55    62    66    69   3.62500 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    66   3.62500 -1.0 2.0
   62    66   -69    45   3.62500 -1.0 2.0
   62    66    69    70   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    69   3.62500 -1.0 2.0
   67    66    69    45   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   69    45    50    51   3.62500 -1.0 2.0
   69    45   -50    55   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    64    60    52   1.00000 -1.0 2.0
   60    68    64    65  10.50000 -1.0 2.0
   64    71    68    72  10.50000 -1.0 2.0
   73    90    71    68   4.00000 -1.0 2.0
   76    74    73    71   1.10000 -1.0 2.0
   90    91    78    76   4.00000 -1.0 2.0
   93    78    91    92   1.00000 -1.0 2.0
   80    77    79    81  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   50    69    45    38   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   66    63    62    55   1.10000 -1.0 2.0
   69    67    66    62   1.10000 -1.0 2.0
   66    70    69    45   1.10000 -1.0 2.0
END
