* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    159    243     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.01988    95.57944    30.48020
    3     1 S   H    _H1_     3     1.02099    34.09206   145.97888
    4     1 S   H    _H2_     4     1.02091    84.32443   -77.82657
    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     1.08641   109.88695   179.05581
   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   _C24    36     1.82429    98.06005   -78.13544
   34    33 S   HC   _H23    37     1.09557   105.85180    39.98393
   35    33 S   HC   _H24    38     1.09497   107.04350   -75.02426
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C22    39     1.54766   115.10248   161.02712
   40    39 S   CT   _C23    40     1.53710   112.81218    60.94176
   41    40 S   HC   _H20    41     1.09528   111.69388  -179.97202
   42    40 S   HC   _H21    42     1.09540   111.29040    63.12817
   43    40 S   HC   _H22    43     1.09427   111.81566   -58.40263
   44    39 S   CT   _C14    44     1.55749   109.98337  -172.57080
   45    44 S   HC   _H5_    45     1.09763   108.16902    53.29658
   46    39 S   OH   _O37    91     1.43729   107.99640   -57.78091
   47    46 S   HO   _H25    92     0.96624   105.84761   -58.00472
   48    44 S   CM   _C15    46     1.50819   114.78872   -69.90627
   49    48 S   HC   _H14    47     1.08799   116.90334   -58.02163
   50    44 S   OS   _O34    61     1.43228   110.17519   167.51114
   51    48 S   CM   _C16    48     1.34155   123.45524   122.28818
   52    51 S   HC   _H15    49     1.08687   119.49236    -0.26319
   53    50 S   CO4  _C13    62     1.36490   115.49767  -146.18068
   54    53 S   O    _O33    63     1.22473   125.82119    -0.08623
   55    51 S   CM   _C17    50     1.44575   123.13568   179.93744
   56    55 S   HC   _H16    51     1.08686   117.05592     0.05595
   57    53 S   CT1  _C12    64     1.51923   109.42468   178.16112
   58    57 S   HC   _H4_    65     1.09606   109.85887    31.74691
   59    55 S   CM   _C18    52     1.34181   122.95997   180.00000
   60    59 S   HC   _H17    53     1.08799   119.94602  -180.00000
   61    57 S   CT   _C5_    66     1.54371   111.49887   -93.13750
   62    61 S   HC   _H3_    67     1.09962   108.06512   -55.39685
   63    57 S   N    _N4_    83     1.44326   104.53153   145.22841
   64    63 S   H    _H26    84     1.01712   118.31332    93.85640
   65    59 S   CM   _C19    54     1.44856   123.04313     0.01978
   66    65 S   HC   _H18    55     1.08670   116.53821    -0.07133
   67    61 S   CA   _C6_    68     1.52169   112.03724    63.62746
   68    61 S   CT   _C4_    79     1.53624   111.81067  -172.24283
   69    68 S   HC   _H6_    80     1.09520   111.82954   -62.19887
   70    68 S   HC   _H7_    81     1.09626   110.93726   177.50668
   71    68 S   HC   _H8_    82     1.09492   111.08915    58.16589
   72    63 S   C    _C25    85     1.38309   123.24053   -86.12596
   73    72 S   O    _O38    86     1.22559   126.34068     0.06853
   74    65 S   CM   _C20    56     1.34000   122.84020  -179.98022
   75    74 S   HC   _H19    57     1.09052   119.39712    -0.07913
   76    67 S   CA   _C7_    69     1.39493   120.07903    35.09424
   77    76 S   HA   _H9_    70     1.08682   120.48591     0.05234
   78    72 S   CT   _C26    87     1.49269   114.09533   179.88465
   79    78 S   HC   _H27    88     1.10157   112.40938    89.97009
   80    78 S   HC   _H28    89     1.10163   112.44468  -151.33238
   81    78 S   HC   _H29    90     1.10219   115.32795   -30.60124
   82    74 S   CO3  _C21    58     1.53500   121.76163   180.00000
   83    82 S   O2Z  _O36    59     1.26671   113.96326    -0.06561
   84    82 S   O2Z  _O35    60     1.26280   117.07125   179.96574
   85    76 S   CA   _C8_    71     1.39421   120.01973   179.93744
   86    85 S   HA   _H10    72     1.08686   119.99522   179.90109
   87    85 S   CA   _C9_    73     1.39471   120.04832     0.05595
   88    87 S   HA   _H11    74     1.08550   120.03085   179.84174
   89    87 S   CA   _C10    75     1.39472   119.96912    -0.00000
   90    89 S   HA   _H12    76     1.08600   120.07462   179.94405
   91    67 S   CA   _C11    77     1.39548   119.96291  -144.91674
   92    91 S   HA   _H13    78     1.08676   120.48047    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   4   2   1   1  13   9   4   3   2  12   6   3   1   8
   4   7   6   3  10   4   6   3  15   7   6   3  15   8   9   3
   6   3  13   5   2   1   1   5   4   4   3   8   4   3   2   1
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    44    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    48    50    46    47  
   35    39    40    44    46  
   39    40    44    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    51    50    53    46    47  
   41    42    43    44    45    48    50    46    47  
   42    43    44    46  
   43    44    46  
   44    46  
   45    48    49    51    52    55    50    53    54    57    46    47  
   48    49    51    50    53    46  
   47    48    50  
    0  
   49    51    52    55    56    59    50    53  
   51    52    55    50  
   53    54    57    58    61    63    51  
   52    55    56    59    60    65  
   55    56    59  
   54    57    58    61    62    67    68    63    64    72  
   57    58    61    63  
   56    59    60    65    66    74  
   59    60    65  
   58    61    62    67    76    91    68    69    70    71    63    64    72    73    78  
   61    62    67    68    63    64    72  
   60    65    66    74    75    82  
   65    66    74  
   62    67    76    77    85    89    91    92    68    69    70    71    63    64    72  
   67    76    91    68    69    70    71    63  
   64    72    73    78    79    80    81    67    68  
   72    73    78  
   66    74    75    82    83    84  
   74    75    82  
   76    77    85    86    87    89    90    91    92    68    69    70    71  
   69    70    71    76    91  
   70    71  
   71  
    0  
   73    78    79    80    81  
   78    79    80    81  
   75    82    83    84  
   82    83    84  
   77    85    86    87    88    89    91    92  
   85    86    87    91  
   79    80    81  
   80    81  
   81  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    44   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    48   317.000  1.510
   44    50   320.000  1.410
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    55   380.000  1.444
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    74   549.000  1.340
   74    75   340.000  1.080
   74    82   230.000  1.545
   82    83   656.000  1.250
   82    84   656.000  1.250
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    57   255.000  1.522
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   337.000  1.449
   61    62   340.000  1.090
   61    67   317.000  1.510
   61    68   268.000  1.529
   67    76   469.000  1.400
   67    91   469.000  1.400
   76    77   367.000  1.080
   76    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
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   434.000  1.010
   63    72   490.000  1.335
   72    73   570.000  1.229
   72    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    44    58.35000  112.70000
   33    39    46    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    43    37.50000  110.70000
   39    44    45    37.50000  110.70000
   39    44    48    70.00000  112.02700
   39    44    50    50.00000  109.50000
   39    46    47    55.00000  108.50000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    39    40    58.35000  112.70000
   44    48    49    35.00000  117.00000
   44    48    51    70.00000  124.00000
   44    50    53    83.00000  116.90000
   48    44    45    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    55    70.00000  123.01800
   51    48    49    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    70.00000  123.01800
   59    55    56    35.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    74    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    74    75    35.00000  120.00000
   65    74    82    55.00000  124.75400
   74    65    66    35.00000  120.00000
   74    82    83    85.00000  113.83300
   74    82    84    85.00000  113.83300
   82    74    75    40.00000  118.53000
   84    82    83    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    85.00000  110.90400
   50    53    54    83.00000  123.40000
   50    53    57    90.00000  109.72300
   53    57    58    45.00000  110.09800
   53    57    61    70.00000  110.61500
   53    57    63    80.00000  110.29000
   57    53    54    75.00000  123.42600
   57    61    62    37.50000  110.70000
   57    61    67    63.00000  114.00000
   57    61    68    58.35000  112.70000
   57    63    64    38.00000  118.40000
   57    63    72    50.00000  121.90000
   61    57    58    37.50000  110.70000
   61    67    76    70.00000  120.00000
   61    67    91    70.00000  120.00000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    35.00000  109.50000
   67    76    77    35.00000  120.00000
   67    76    85    63.00000  120.00000
   67    91    89    63.00000  120.00000
   67    91    92    35.00000  120.00000
   76    85    86    35.00000  120.00000
   76    85    87    63.00000  120.00000
   85    76    77    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    67    76    63.00000  120.00000
   91    89    90    35.00000  120.00000
   68    61    62    37.50000  110.70000
   68    61    67    70.00000  112.17500
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    61    80.00000  109.70000
   63    72    73    80.00000  122.90000
   63    72    78    70.00000  116.60000
   72    63    64    35.00000  119.80000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   78    72    73    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   46    39    40    50.00000  109.50000
   46    39    44    50.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.34400  1.0 1.0
   33    39    44    48   0.09450 -1.0 2.0
   33    39    44    48   0.11100  1.0 3.0
   33    39    44    50   0.62750  1.0 1.0
   33    39    44    50  -0.30950 -1.0 2.0
   33    39    44    50   0.27300  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    51   0.09850  1.0 1.0
   39    44    48    51   0.15250 -1.0 2.0
   39    44    48    51  -0.50650  1.0 3.0
   39    44    50    53  -0.25900  1.0 1.0
   39    44    50    53  -0.47000 -1.0 2.0
   39    44    50    53   0.11750  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.34400  1.0 1.0
   40    39    44    48   0.09450 -1.0 2.0
   40    39    44    48   0.11100  1.0 3.0
   40    39    44    50   0.62750  1.0 1.0
   40    39    44    50  -0.30950 -1.0 2.0
   40    39    44    50   0.27300  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   44    39    40    41   0.15000  1.0 3.0
   44    39    40    42   0.15000  1.0 3.0
   44    39    40    43   0.15000  1.0 3.0
   44    39    46    47  -0.11600  1.0 1.0
   44    39    46    47  -0.09450 -1.0 2.0
   44    39    46    47   0.21250  1.0 3.0
   44    48    51    52   7.00000 -1.0 2.0
   44    48    51    55   7.00000 -1.0 2.0
   44    50    53    54   3.00000 -1.0 2.0
   44    50    53    57   1.63150  1.0 1.0
   44    50    53    57   2.92000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    51   0.00000  1.0 1.0
   45    44    50    53   0.08050  1.0 3.0
   48    44    50    53  -0.82050  1.0 1.0
   48    44    50    53   0.00600 -1.0 2.0
   48    44    50    53   0.04400  1.0 3.0
   48    51    55    56  -0.18600  1.0 3.0
   48    51    55    59   0.28850  1.0 1.0
   48    51    55    59   2.61350 -1.0 2.0
   48    51    55    59   0.78400  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    55   7.00000 -1.0 2.0
   51    55    59    60   7.00000 -1.0 2.0
   51    55    59    65   7.00000 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59  -0.18600  1.0 3.0
   55    59    65    66  -0.18600  1.0 3.0
   55    59    65    74   0.28850  1.0 1.0
   55    59    65    74   2.61350 -1.0 2.0
   55    59    65    74   0.78400  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    65   7.00000 -1.0 2.0
   59    65    74    75   7.00000 -1.0 2.0
   59    65    74    82   7.00000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    74  -0.18600  1.0 3.0
   65    74    82    83  -0.04000 -1.0 2.0
   65    74    82    83  -0.29050  1.0 3.0
   65    74    82    84  -0.04000 -1.0 2.0
   65    74    82    84  -0.29050  1.0 3.0
   66    65    74    75   7.00000 -1.0 2.0
   66    65    74    82   7.00000 -1.0 2.0
   75    74    82    83   0.00000  1.0 1.0
   75    74    82    84   0.00000  1.0 1.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    51   0.39000  1.0 1.0
   50    44    48    51  -0.05800 -1.0 2.0
   50    44    48    51  -0.55150  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    61   0.36750  1.0 3.0
   50    53    57    63   0.40000  1.0 3.0
   53    57    61    62  -0.03800  1.0 3.0
   53    57    61    67  -0.84850  1.0 1.0
   53    57    61    67  -0.22800 -1.0 2.0
   53    57    61    67   0.29250  1.0 3.0
   53    57    61    68  -0.84850  1.0 1.0
   53    57    61    68  -0.22800 -1.0 2.0
   53    57    61    68   0.29250  1.0 3.0
   53    57    63    64   0.00000  1.0 1.0
   53    57    63    72  -0.29800  1.0 1.0
   53    57    63    72   0.13950 -1.0 2.0
   53    57    63    72  -2.45650  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   54    53    57    63   0.00000  1.0 1.0
   57    61    67    76   0.00000  1.0 1.0
   57    61    67    91   0.00000  1.0 1.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.15000  1.0 3.0
   57    63    72    73   3.04450 -1.0 2.0
   57    63    72    78   1.15000  1.0 1.0
   57    63    72    78   3.04450 -1.0 2.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    67   0.23100  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    72   0.00000  1.0 1.0
   61    57    63    64   0.00000  1.0 1.0
   61    57    63    72   0.25950  1.0 1.0
   61    57    63    72   0.43850 -1.0 2.0
   61    57    63    72   2.61650  1.0 3.0
   61    67    76    77   3.62500 -1.0 2.0
   61    67    76    85   3.62500 -1.0 2.0
   61    67    91    89   3.62500 -1.0 2.0
   61    67    91    92   3.62500 -1.0 2.0
   62    61    67    76   0.00000  1.0 1.0
   62    61    67    91   0.00000  1.0 1.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   67    61    68    69   0.43200  1.0 3.0
   67    61    68    70   0.43200  1.0 3.0
   67    61    68    71   0.43200  1.0 3.0
   67    76    85    86   3.62500 -1.0 2.0
   67    76    85    87   3.62500 -1.0 2.0
   76    67    91    89   3.62500 -1.0 2.0
   76    67    91    92   3.62500 -1.0 2.0
   76    85    87    88   3.62500 -1.0 2.0
   76    85   -87    89   3.62500 -1.0 2.0
   77    76    85    86   3.62500 -1.0 2.0
   77    76    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    67   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    67   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    67    76    77   3.62500 -1.0 2.0
   91    67   -76    85   3.62500 -1.0 2.0
   68    61    67    76   0.04150 -1.0 2.0
   68    61    67    91   0.04150 -1.0 2.0
   63    57    61    62   0.23200  1.0 3.0
   63    57    61    67   0.42250  1.0 1.0
   63    57    61    67  -0.48100 -1.0 2.0
   63    57    61    67   0.35650  1.0 3.0
   63    57    61    68   0.42250  1.0 1.0
   63    57    61    68  -0.48100 -1.0 2.0
   63    57    61    68   0.35650  1.0 3.0
   63    72    78    79   0.00000  1.0 1.0
   63    72    78    80   0.00000  1.0 1.0
   63    72    78    81   0.00000  1.0 1.0
   64    63    72    73   2.45000 -1.0 2.0
   64    63    72    78   2.45000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    81   0.00000  1.0 1.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    42   0.23400  1.0 3.0
   46    39    40    43   0.23400  1.0 3.0
   46    39    44    45   0.23400  1.0 3.0
   46    39    44    48   1.05650  1.0 1.0
   46    39    44    48   0.15600 -1.0 2.0
   46    39    44    48   0.53150  1.0 3.0
   46    39    44    50   3.69350  1.0 1.0
   46    39    44    50  -1.82950 -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
   37    30    36    38  10.50000 -1.0 2.0
   44    49    48    51  15.00000 -1.0 2.0
   55    52    51    48  15.00000 -1.0 2.0
   51    56    55    59  15.00000 -1.0 2.0
   65    60    59    55  15.00000 -1.0 2.0
   59    66    65    74  15.00000 -1.0 2.0
   82    75    74    65  15.00000 -1.0 2.0
   83    74    82    84  10.50000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
   76    91    67    61   4.00000 -1.0 2.0
   85    77    76    67   1.10000 -1.0 2.0
   87    86    85    76   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    67   1.10000 -1.0 2.0
   64    72    63    57   1.00000 -1.0 2.0
   63    78    72    73  10.50000 -1.0 2.0
END
