* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    165    257     482
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121    45.46697   105.74964
    3     1 S   H    _H1_     3     1.02154    67.33240  -100.49277
    4     1 S   H    _H2_     4     1.02053   104.83614     3.92999
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   _C26    36     1.83643    99.43543   180.00000
   34    33 S   F    F1__    37     1.37240   107.89911   -56.06397
   35    33 S   F    F2__    38     1.37117   107.90930    56.07267
   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   CA   _C22    39     1.49148   110.96334  -179.96574
   40    39 S   CA   _C23    40     1.39103   119.97167   -88.85570
   41    40 S   HA   _H26    41     1.08654   120.54135     0.77884
   42    40 S   CA   _C24    42     1.39409   119.87655  -179.69868
   43    42 S   HA   _H27    43     1.08822   118.55268  -179.73681
   44    42 S   CA   _C25    44     1.40266   120.51526    -0.14804
   45    44 S   CA   _C20    45     1.40733   119.90751    -1.10127
   46    44 S   S    _S1_    59     1.78998   117.70690   179.58599
   47    39 S   CA   _C21    46     1.39575   119.99382    90.96730
   48    47 S   HA   _H25    47     1.08817   118.60459    -0.02798
   49    45 S   CM   _C10    48     1.48846   119.30019   179.68847
   50    49 S   CA   _C8_    49     1.48729   121.57023   -31.45116
   51    49 S   CM   _C11    60     1.34738   119.06074   142.29631
   52    51 S   HC   _H7_    61     1.08233   118.17687     6.70212
   53    50 S   CA   _C9_    50     1.40617   121.86039  -146.14020
   54    53 S   HA   _H6_    51     1.08864   121.07341    -1.33896
   55    51 S   CT   _C12    62     1.49581   123.69064  -173.97579
   56    55 S   HC   _H8_    63     1.09700   111.09255    30.04807
   57    55 S   HC   _H9_    64     1.09562   107.80251   -86.75415
   58    53 S   CA   _C4_    52     1.39540   120.87366   179.34329
   59    58 S   HA   _H3_    53     1.08666   119.95755   179.35837
   60    55 S   CT   _C13    65     1.52674   112.21968   153.33761
   61    60 S   HC   _H10    66     1.09520   109.92058    60.01727
   62    60 S   HC   _H11    67     1.09541   111.58545   -59.89487
   63    58 S   CA   _C5_    54     1.39092   120.04058    -0.51014
   64    63 S   HA   _H4_    55     1.08539   120.05953   179.14751
   65    60 S   NTH0 _N4_    68     1.46085   112.28446   178.99556
   66    63 S   CA   _C6_    56     1.39381   119.90156    -0.45500
   67    66 S   HA   _H5_    57     1.08737   118.65233   179.82086
   68    65 S   CT   _C14    69     1.46820   110.83550    79.31366
   69    68 S   HC   _H12    70     1.09552   110.76377    57.89616
   70    68 S   HC   _H13    71     1.09399   109.55112   -60.73238
   71    50 S   CA   _C7_    58     1.40763   119.36866    31.47211
   72    68 S   CT   _C15    72     1.53191   110.89222   179.81337
   73    72 S   HC   _H14    73     1.09865   109.66154    65.78664
   74    72 S   HC   _H15    74     1.09720   108.32039  -177.46580
   75    72 S   NTH0 _N5_    75     1.46845   110.88117   -56.97653
   76    75 S   CT   _C16    76     1.46790   110.36048    56.77473
   77    76 S   HC   _H16    77     1.09742   109.72119  -176.38605
   78    76 S   HC   _H17    78     1.09824   110.95262    65.26552
   79    75 S   CT   _C18    82     1.46105   110.81983   179.96044
   80    79 S   HC   _H20    83     1.09533   108.23585   -40.00705
   81    79 S   HC   _H21    84     1.09479   108.13983  -158.07140
   82    65 S   CT   _C17    79     1.46900   110.78885  -157.75912
   83    82 S   HC   _H18    80     1.09376   109.56606    60.70622
   84    82 S   HC   _H19    81     1.09573   110.75484   -57.96884
   85    79 S   CT   _C19    85     1.51736   109.64043    81.52633
   86    85 S   HC   _H22    86     1.09476   110.02973    59.96707
   87    85 S   HC   _H23    87     1.09522   111.55024   -61.15793
   88    85 S   OH   _O33    88     1.42184   109.43322   178.46813
   89    88 S   HO   _H24    89     0.97029   106.76399   180.00000
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   9  10   8   4   1
  12  11  10   4   7   4   8   5   4   6   3  11   4   3   4   3
  13   2   1  11   6   5   1  11   4   3  13   9   5   4   8   5
   4   2   1   1   4   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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    71    46  
   44    45    46  
   45    47    48    49    50    66    71    46    51  
   47    48    49    50    53    71    46    51    52    55  
   47    49    50    53    63    66    67    71  
   48    49    50    51  
   49  
   50    53    54    58    66    71    51    52    55    56    57    60  
   53    54    58    59    63    66    67    71    51    52    55  
   52    55    56    57    60    61    62    65    53    71  
   55    56    57    60  
   54    58    59    63    64    66    71  
   58    59    63    71  
   56    57    60    61    62    65    68    82  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64    66    67    71  
   63    64    66  
   61    62    65    68    69    70    72    76    82    83    84  
   62    65    68    82  
   65    68    82  
   64    66    67    71  
   66    67    71  
   68    69    70    72    73    74    75    76    77    78    82    83    84  
   67    71  
   71  
   69    70    72    73    74    75    76    82    83    84    79  
   70    72    73    74    75    82  
   72    73    74    75    82  
    0  
   73    74    75    76    77    78    82    79    80    81    85  
   74    75    76    79  
   75    76    79  
   76    77    78    82    83    84    79    80    81    85    86    87    88  
   77    78    82    83    84    79    80    81    85  
   78    82    83    84    79  
   82    83    84    79  
   80    81    85    86    87    88    89    82  
   81    85    86    87    88  
   85    86    87    88  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   76   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   320.000  1.460
   47    48   367.000  1.080
   49    50   320.000  1.460
   49    51   549.000  1.340
   50    53   469.000  1.400
   50    71   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    46   250.000  1.760
   51    52   340.000  1.080
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   310.000  1.447
   65    68   310.000  1.447
   65    82   310.000  1.447
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   310.000  1.447
   75    76   310.000  1.447
   75    79   310.000  1.447
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    60.00000  120.93500
   44    46    71    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    60.00000  122.92000
   45    49    51    60.00000  123.20500
   47    39    40    63.00000  120.00000
   49    45    47    60.00000  120.93500
   49    50    53    60.00000  120.93500
   49    50    71    60.00000  120.93500
   49    51    52    35.00000  120.00000
   49    51    55    70.00000  124.00000
   50    53    54    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    71    66    63.00000  120.00000
   50    71    46    85.00000  119.40000
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    66    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    71    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    71    46    85.00000  119.40000
   71    50    53    63.00000  120.00000
   71    66    67    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    60.00000  123.20500
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    60    70.00000  112.02700
   55    51    52    35.00000  117.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    65    75.00000  113.73300
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    68    80.00000  110.40700
   60    65    82    80.00000  110.40700
   62    60    61    33.00000  107.80000
   65    60    61    50.00000  110.15500
   65    60    62    50.00000  110.15500
   65    68    69    50.00000  110.15500
   65    68    70    50.00000  110.15500
   65    68    72    75.00000  113.73300
   65    82    76    75.00000  113.73300
   65    82    83    50.00000  110.15500
   65    82    84    50.00000  110.15500
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    75.00000  113.73300
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    75    76    80.00000  110.40700
   72    75    79    80.00000  110.40700
   74    72    73    33.00000  107.80000
   75    72    73    50.00000  110.15500
   75    72    74    50.00000  110.15500
   75    76    77    50.00000  110.15500
   75    76    78    50.00000  110.15500
   75    76    82    75.00000  113.73300
   75    79    80    50.00000  110.15500
   75    79    81    50.00000  110.15500
   75    79    85    75.00000  113.73300
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   78    76    77    33.00000  107.80000
   82    65    68    80.00000  110.40700
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   84    82    83    33.00000  107.80000
   79    75    76    80.00000  110.40700
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    50.00000  109.50000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    71   0.25000 -1.0 2.0
   42    44    46    71   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50  -0.01750  1.0 1.0
   44    45    49    50  -0.32000 -1.0 2.0
   44    45    49    50   0.00600  1.0 3.0
   44    45    49    51   0.15800  1.0 1.0
   44    45    49    51   1.85350 -1.0 2.0
   44    45    49    51  -0.48700  1.0 3.0
   45    44    46    71   0.25000 -1.0 2.0
   45    44    46    71   0.25000 -1.0 4.0
   45    49    50    53  -0.01750  1.0 1.0
   45    49    50    53  -0.32000 -1.0 2.0
   45    49    50    53   0.00600  1.0 3.0
   45    49   -50    71  -0.01750  1.0 1.0
   45    49   -50    71  -0.32000 -1.0 2.0
   45    49   -50    71   0.00600  1.0 3.0
   45    49    51    52   7.00000 -1.0 2.0
   45    49    51    55   7.00000 -1.0 2.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50  -0.01750  1.0 1.0
   47    45    49    50  -0.32000 -1.0 2.0
   47    45    49    50   0.00600  1.0 3.0
   47    45    49    51   0.15800  1.0 1.0
   47    45    49    51   1.85350 -1.0 2.0
   47    45    49    51  -0.48700  1.0 3.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    50    53    58   3.62500 -1.0 2.0
   49    50    71    66   3.62500 -1.0 2.0
   49    50    71    46   3.62500 -1.0 2.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    60   0.09850  1.0 1.0
   49    51    55    60   0.15250 -1.0 2.0
   49    51    55    60  -0.50650  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    55   7.00000 -1.0 2.0
   50    53    58    59   3.62500 -1.0 2.0
   50    53    58    63   3.62500 -1.0 2.0
   50    71   -46    44   0.25000 -1.0 2.0
   50    71   -46    44   0.25000 -1.0 4.0
   53    50    71    66   3.62500 -1.0 2.0
   53    50    71    46   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   53    58   -63    66   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63    66    71   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    66   3.62500 -1.0 2.0
   63    66   -71    50   3.62500 -1.0 2.0
   63    66    71    46   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    71   3.62500 -1.0 2.0
   66    71    46    44   0.25000 -1.0 2.0
   66    71    46    44   0.25000 -1.0 4.0
   67    66    71    50   3.62500 -1.0 2.0
   67    66    71    46   3.62500 -1.0 2.0
   71    50    53    54   3.62500 -1.0 2.0
   71    50   -53    58   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    53   0.15800  1.0 1.0
   51    49    50    53   1.85350 -1.0 2.0
   51    49    50    53  -0.48700  1.0 3.0
   51    49    50    71   0.15800  1.0 1.0
   51    49    50    71   1.85350 -1.0 2.0
   51    49    50    71  -0.48700  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    62   0.15000  1.0 3.0
   51    55    60    65   0.59950  1.0 1.0
   51    55    60    65  -0.21400 -1.0 2.0
   51    55    60    65   0.56200  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    57   0.33100  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   55    60    65    68   1.99000  1.0 1.0
   55    60    65    68   0.18800 -1.0 2.0
   55    60    65    68   0.81350  1.0 3.0
   55    60    65    82   1.99000  1.0 1.0
   55    60    65    82   0.18800 -1.0 2.0
   55    60    65    82   0.81350  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65   0.15000  1.0 3.0
   60    65    68    69   0.28000  1.0 3.0
   60    65    68    70   0.28000  1.0 3.0
   60    65    68    72   0.58650  1.0 1.0
   60    65    68    72   0.12600 -1.0 2.0
   60    65    68    72   0.33350  1.0 3.0
   60    65    82    76   0.58650  1.0 1.0
   60    65    82    76   0.12600 -1.0 2.0
   60    65    82    76   0.33350  1.0 3.0
   60    65    82    83   0.28000  1.0 3.0
   60    65    82    84   0.28000  1.0 3.0
   61    60    65    68   0.28000  1.0 3.0
   61    60    65    82   0.28000  1.0 3.0
   62    60    65    68   0.28000  1.0 3.0
   62    60    65    82   0.28000  1.0 3.0
   65    68    72    73   0.15000  1.0 3.0
   65    68    72    74   0.15000  1.0 3.0
   65    68    72    75   2.12850  1.0 1.0
   65    68    72    75  -1.41900 -1.0 2.0
   68    65    82    76   1.99000  1.0 1.0
   68    65    82    76   0.18800 -1.0 2.0
   68    65    82    76   0.81350  1.0 3.0
   68    65    82    83   0.28000  1.0 3.0
   68    65    82    84   0.28000  1.0 3.0
   68    72   -75    76   1.99000  1.0 1.0
   68    72   -75    76   0.18800 -1.0 2.0
   68    72   -75    76   0.81350  1.0 3.0
   68    72    75    79   0.58650  1.0 1.0
   68    72    75    79   0.12600 -1.0 2.0
   68    72    75    79   0.33350  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.15000  1.0 3.0
   72    75    76    77   0.28000  1.0 3.0
   72    75    76    78   0.28000  1.0 3.0
   72    75    76    82   1.99000  1.0 1.0
   72    75    76    82   0.18800 -1.0 2.0
   72    75    76    82   0.81350  1.0 3.0
   72    75    79    80   0.28000  1.0 3.0
   72    75    79    81   0.28000  1.0 3.0
   72    75    79    85   1.99000  1.0 1.0
   72    75    79    85   0.18800 -1.0 2.0
   72    75    79    85   0.81350  1.0 3.0
   73    72    75    76   0.28000  1.0 3.0
   73    72    75    79   0.28000  1.0 3.0
   74    72    75    76   0.28000  1.0 3.0
   74    72    75    79   0.28000  1.0 3.0
   75    76   -82    65   2.12850  1.0 1.0
   75    76   -82    65  -1.41900 -1.0 2.0
   75    76    82    83   0.15000  1.0 3.0
   75    76    82    84   0.15000  1.0 3.0
   75    79    85    86   0.15000  1.0 3.0
   75    79    85    87   0.15000  1.0 3.0
   75    79    85    88   3.18500  1.0 1.0
   76    75    79    80   0.28000  1.0 3.0
   76    75    79    81   0.28000  1.0 3.0
   76    75    79    85   1.99000  1.0 1.0
   76    75    79    85   0.18800 -1.0 2.0
   76    75    79    85   0.81350  1.0 3.0
   77    76    82    65   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   78    76    82    65   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   82    65    68    69   0.28000  1.0 3.0
   82    65    68    70   0.28000  1.0 3.0
   82    65   -68    72   1.99000  1.0 1.0
   82    65   -68    72   0.18800 -1.0 2.0
   82    65   -68    72   0.81350  1.0 3.0
   79    75    76    77   0.28000  1.0 3.0
   79    75    76    78   0.28000  1.0 3.0
   79    75    76    82   0.58650  1.0 1.0
   79    75    76    82   0.12600 -1.0 2.0
   79    75    76    82   0.33350  1.0 3.0
   79    85    88    89  -0.11600  1.0 1.0
   79    85    88    89  -0.09450 -1.0 2.0
   79    85    88    89   0.21250  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.23400  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.23400  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   45    50    49    51   1.10000 -1.0 2.0
   53    71    50    49   4.00000 -1.0 2.0
   58    54    53    50   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   66    64    63    58   1.10000 -1.0 2.0
   71    67    66    63   1.10000 -1.0 2.0
   66    46    71    50   4.00000 -1.0 2.0
   55    52    51    49   1.10000 -1.0 2.0
END
