* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    250     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   105.46505   -29.12501
    3     1 S   H    _H1_     3     1.02043    65.12991    74.68461
    4     1 S   H    _H2_     4     1.02147    47.42405  -130.49834
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.84238    97.53397  -178.16070
   34    33 S   HC   _H5_    37     1.08527   104.02541    37.07073
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.52574   109.37179   159.99566
   39    38 S   HC   _H4_    39     1.09686   111.58741   -15.32483
   40    38 S   CO4  _C22    40     1.51163   102.42560    99.46194
   41    40 S   O    _O39    41     1.22230   125.01452  -167.32449
   42    38 S   CT   _C9_    64     1.54119   118.79552  -142.08964
   43    42 S   HC   _H15    65     1.10334   103.93674   176.41914
   44    42 S   HC   _H16    66     1.08319   113.62742   -73.42289
   45    40 S   OS   _O38    42     1.36244   110.97761    15.00190
   46    33 S   CT   _C12    43     1.52809   109.03437   -84.67152
   47    46 S   HC   _H6_    44     1.09683   112.18818    12.88904
   48    46 S   CT   _C13    45     1.53956   116.69215   135.30524
   49    48 S   HC   _H17    46     1.09773   109.54447   168.15848
   50    48 S   HC   _H18    47     1.09806   108.27775   -75.79442
   51    48 S   C3T  _C14    48     1.48994   113.17965    46.05329
   52    51 S   C3T  _C15    49     1.50384   117.76470   -90.47747
   53    52 S   HC   _H7_    50     1.08351   120.32789    -4.02312
   54    51 S   CT   _C21    79     1.49559   114.89998    76.86194
   55    54 S   HC   _H21    80     1.10020   111.37059  -179.96044
   56    54 S   HC   _H22    81     1.10003   111.35356    60.03427
   57    54 S   HC   _H23    82     1.09993   111.36882   -59.96840
   58    52 S   CT   _C16    51     1.49215   120.12738   146.51617
   59    58 S   HC   _H8_    52     1.09526   112.53490    23.61727
   60    51 S   O3T  _O35    78     1.43391   117.81072  -157.33024
   61    58 S   CT   _C17    53     1.53712   111.09055  -103.17701
   62    61 S   HC   _H9_    54     1.09765   110.54685   -28.81319
   63    61 S   CM   _C18    55     1.50116    99.99027  -139.78771
   64    61 S   CT   _C8_    62     1.54710   116.24293    96.43607
   65    64 S   HC   _H3_    63     1.09928   107.61539    79.35603
   66    63 S   CO4  _C20    56     1.47414   109.47403    19.02673
   67    66 S   O    _O36    57     1.21883   127.13530   170.82116
   68    63 S   CM   _C19    59     1.33635   130.27198  -159.91374
   69    68 S   HC   _H19    60     1.08406   120.67234    -1.15301
   70    68 S   HC   _H20    61     1.08306   120.65891   178.84411
   71    64 S   OS   _O34    67     1.42977   109.48744  -166.06725
   72    58 S   OS   _O37    58     1.44173   107.46783   140.73025
   73    71 S   CO4  _C7_    68     1.36172   115.73978  -145.70738
   74    73 S   O    _O33    69     1.22253   125.80337     0.00000
   75    73 S   CM   _C5_    70     1.48965   109.59959  -179.97202
   76    75 S   CM   _C6_    71     1.34140   117.28081  -150.03814
   77    76 S   HC   _H13    72     1.08610   120.79337  -179.96574
   78    76 S   HC   _H14    73     1.08487   122.69115     0.03426
   79    75 S   CT   _C4_    74     1.49790   120.33260    29.96541
   80    79 S   HC   _H10    75     1.09501   110.56545   -90.05304
   81    79 S   HC   _H11    76     1.09441   110.53769    30.47624
   82    79 S   HC   _H12    77     1.09511   111.91053   150.24856
  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  10   5   4   3
  16   8   2   1   1  14   8   9   3  12   5   4   6   8   4  11
   5   4  11  14   6   5   3   2   1  12   7   2  12   7   9   8
   2   5   2   3   1   1   5   1   9   3   7   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    47    48    49    50    51    64    42    43    44  
   38    39    40    45    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    61    64    65    42    43    44    71  
   40    41    45    46    64    42    43    44  
   41    45    46    47    48    64    42    43    44  
   45    46    42  
   43    44    71    73    45    46    58    61    62    63    64    65  
   44    71    61    64    65  
   71    61    64    65  
   46    47    48    49    50    51  
   47    48    49    50    51    52    60    54  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    60    54  
   51    52    60    54  
   52    53    58    59    61    72    60    54    55    56    57  
   53    58    59    61    62    63    66    72    64    60    54    55    56    57  
   58    59    61    72    60    54  
   55    56    57    58    60  
   56    57    60  
   57    60  
   60  
   59    61    62    63    66    67    72    68    64    65    71    60  
   61    62    63    66    72    64    60  
   61    72  
   62    63    66    67    72    68    69    70    64    65    71    73  
   63    66    72    68    64    65    71  
   66    67    72    68    69    70    64    65    71  
   65    71    73    74    75    66    68    72  
   71    73  
   67    72    68    69    70  
   72    68  
   69    70    72  
   70  
    0  
   73    74    75    76    79  
    0  
   74    75    76    77    78    79    80    81    82  
   75    76    79  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   214.000  1.327
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   275.000  1.510
   51    52   260.000  1.509
   51    60   335.000  1.432
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   275.000  1.510
   52    60   335.000  1.432
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    72   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   64    65   340.000  1.090
   64    42   268.000  1.529
   64    71   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   71    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    46    45    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    81.00000  111.40000
   38    42    64    58.35000  112.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    45    46    83.00000  116.90000
   45    40    41    83.00000  123.40000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.37300
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  120.94000
   48    51    60    80.00000  116.47100
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    45.00000  109.38400
   51    48    50    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    60    15.00000   60.43100
   51    60    52    15.00000   59.14900
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    45.00000  109.38400
   52    58    61    70.00000  112.37300
   52    58    72    50.00000  109.50000
   58    52    53    40.00000  115.04500
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    64    58.35000  112.70000
   58    72    66    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    63    66    65.00000  116.34900
   61    63    68    70.00000  124.00000
   61    64    65    37.50000  110.70000
   61    64    42    58.35000  112.70000
   61    64    71    50.00000  109.50000
   63    61    62    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   72    58    59    35.00000  109.50000
   72    58    61    50.00000  109.50000
   72    66    67    83.00000  123.40000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   64    61    62    37.50000  110.70000
   64    61    63    70.00000  112.02700
   64    42    43    37.50000  110.70000
   64    42    44    37.50000  110.70000
   64    71    73    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    64    65    37.50000  110.70000
   44    42    43    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    42    50.00000  109.50000
   71    73    74    83.00000  123.40000
   71    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    79    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    78    35.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    75    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   60    51    52    15.00000   60.43100
   60    52    53    50.00000  114.27700
   60    52    58    80.00000  116.47100
   54    51    52    60.00000  120.94000
   54    51    60    80.00000  116.47100
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    45   0.36750  1.0 3.0
   33    38    42    64   0.56750  1.0 1.0
   33    38    42    64  -0.07550 -1.0 2.0
   33    38    42    64   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.47050  1.0 1.0
   33    46    48    51   0.03900 -1.0 2.0
   33    46    48    51   0.20100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    45   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    45   0.62750  1.0 1.0
   38    33   -46    45  -0.30950 -1.0 2.0
   38    33   -46    45   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -45    46   1.63150  1.0 1.0
   38    40   -45    46   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    64   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   40    38    42    64  -0.95700  1.0 1.0
   40    38    42    64  -0.18200 -1.0 2.0
   40    38    42    64   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    45   -46    33  -0.25900  1.0 1.0
   40    45   -46    33  -0.47000 -1.0 2.0
   40    45   -46    33   0.11750  1.0 3.0
   40    45    46    47   0.08050  1.0 3.0
   40    45    46    48  -0.25900  1.0 1.0
   40    45    46    48  -0.47000 -1.0 2.0
   40    45    46    48   0.11750  1.0 3.0
   41    40    45    46   3.00000 -1.0 2.0
   45    46    48    49   0.23400  1.0 3.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51  -0.26800  1.0 1.0
   45    46    48    51   0.69150 -1.0 2.0
   45    46    48    51  -0.48750  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.56750  1.0 1.0
   46    33    38    42  -0.07550 -1.0 2.0
   46    33    38    42   0.20000  1.0 3.0
   46    48    51    52   0.07850  1.0 1.0
   46    48    51    52  -0.03950 -1.0 2.0
   46    48    51    52   0.67350  1.0 3.0
   46    48    51    60   0.02550  1.0 1.0
   46    48    51    60  -0.02600 -1.0 2.0
   46    48    51    60   1.20400  1.0 3.0
   46    48    51    54   0.56750  1.0 1.0
   46    48    51    54  -0.07550 -1.0 2.0
   46    48    51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    58   0.56750  1.0 1.0
   48    51    52    58  -0.07550 -1.0 2.0
   48    51    52    58   0.20000  1.0 3.0
   48    51   -52    60   0.02550  1.0 1.0
   48    51   -52    60  -0.02600 -1.0 2.0
   48    51   -52    60   1.20400  1.0 3.0
   48    51   -60    52   0.06250  1.0 1.0
   48    51   -60    52  -0.01100 -1.0 2.0
   48    51   -60    52   0.28050  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    57   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    60   0.23400  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    60   0.23400  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    61   0.07850  1.0 1.0
   51    52    58    61  -0.03950 -1.0 2.0
   51    52    58    61   0.67350  1.0 3.0
   51    52    58    72  -0.26800  1.0 1.0
   51    52    58    72   0.69150 -1.0 2.0
   51    52    58    72  -0.48750  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.34400  1.0 1.0
   52    58    61    63   0.09450 -1.0 2.0
   52    58    61    63   0.11100  1.0 3.0
   52    58    61    64   0.47050  1.0 1.0
   52    58    61    64   0.03900 -1.0 2.0
   52    58    61    64   0.20100  1.0 3.0
   52    58    72    66  -0.25900  1.0 1.0
   52    58    72    66  -0.47000 -1.0 2.0
   52    58    72    66   0.11750  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    58    72   0.23400  1.0 3.0
   53    52   -60    51   0.36800  1.0 3.0
   58    52   -60    51   0.06250  1.0 1.0
   58    52   -60    51  -0.01100 -1.0 2.0
   58    52   -60    51   0.28050  1.0 3.0
   58    61   -63    66   0.09700  1.0 1.0
   58    61   -63    66   0.15600 -1.0 2.0
   58    61   -63    66  -0.50800  1.0 3.0
   58    61    63    68   0.09850  1.0 1.0
   58    61    63    68   0.15250 -1.0 2.0
   58    61    63    68  -0.50650  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    42   0.56750  1.0 1.0
   58    61    64    42  -0.07550 -1.0 2.0
   58    61    64    42   0.20000  1.0 3.0
   58    61    64    71   0.62750  1.0 1.0
   58    61    64    71  -0.30950 -1.0 2.0
   58    61    64    71   0.27300  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    72    66   0.08050  1.0 3.0
   61    58   -72    66  -0.25900  1.0 1.0
   61    58   -72    66  -0.47000 -1.0 2.0
   61    58   -72    66   0.11750  1.0 3.0
   61    63    66    67  -0.64400  1.0 1.0
   61    63    66    67   0.26850 -1.0 2.0
   61    63   -66    72  -0.15000  1.0 1.0
   61    63   -66    72   0.89550 -1.0 2.0
   61    63   -66    72  -0.06900  1.0 3.0
   61    63    68    69   7.00000 -1.0 2.0
   61    63    68    70   7.00000 -1.0 2.0
   61    64    42    38   0.56750  1.0 1.0
   61    64    42    38  -0.07550 -1.0 2.0
   61    64    42    38   0.20000  1.0 3.0
   61    64    42    43   0.15000  1.0 3.0
   61    64    42    44   0.15000  1.0 3.0
   61    64    71    73  -0.25900  1.0 1.0
   61    64    71    73  -0.47000 -1.0 2.0
   61    64    71    73   0.11750  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    68   0.00000  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    42   0.15000  1.0 3.0
   62    61    64    71   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    42   0.34400  1.0 1.0
   63    61    64    42   0.09450 -1.0 2.0
   63    61    64    42   0.11100  1.0 3.0
   63    61    64    71   0.61850  1.0 1.0
   63    61    64    71  -0.22750 -1.0 2.0
   63    61    64    71   0.15300  1.0 3.0
   63    66   -72    58   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   67    66    72    58   3.00000 -1.0 2.0
   72    58    61    62   0.23400  1.0 3.0
   72    58   -61    63   0.61850  1.0 1.0
   72    58   -61    63  -0.22750 -1.0 2.0
   72    58   -61    63   0.15300  1.0 3.0
   72    58    61    64   0.62750  1.0 1.0
   72    58    61    64  -0.30950 -1.0 2.0
   72    58    61    64   0.27300  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   64    61    63    66   0.09700  1.0 1.0
   64    61    63    66   0.15600 -1.0 2.0
   64    61    63    66  -0.50800  1.0 3.0
   64    61    63    68   0.09850  1.0 1.0
   64    61    63    68   0.15250 -1.0 2.0
   64    61    63    68  -0.50650  1.0 3.0
   64    71    73    74   3.00000 -1.0 2.0
   64    71    73    75   2.00000 -1.0 2.0
   65    64    42    38   0.15000  1.0 3.0
   65    64    42    43   0.15000  1.0 3.0
   65    64    42    44   0.15000  1.0 3.0
   65    64    71    73   0.08050  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.36750  1.0 3.0
   42    64    71    73  -0.25900  1.0 1.0
   42    64    71    73  -0.47000 -1.0 2.0
   42    64    71    73   0.11750  1.0 3.0
   71    64    42    38   0.62750  1.0 1.0
   71    64    42    38  -0.30950 -1.0 2.0
   71    64    42    38   0.27300  1.0 3.0
   71    64    42    43   0.23400  1.0 3.0
   71    64    42    44   0.23400  1.0 3.0
   71    73    75    76  -0.56150  1.0 1.0
   71    73    75    76   2.19150 -1.0 2.0
   71    73    75    79  -0.15000  1.0 1.0
   71    73    75    79   0.89550 -1.0 2.0
   71    73    75    79  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    78   7.00000 -1.0 2.0
   73    75    79    80   0.15000  1.0 3.0
   73    75    79    81   0.15000  1.0 3.0
   73    75    79    82   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    79  -0.64400  1.0 1.0
   74    73    75    79   0.26850 -1.0 2.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   79    75    76    77   7.00000 -1.0 2.0
   79    75    76    78   7.00000 -1.0 2.0
   60    51   -52    53   0.23400  1.0 3.0
   60    51   -52    58   0.02550  1.0 1.0
   60    51   -52    58  -0.02600 -1.0 2.0
   60    51   -52    58   1.20400  1.0 3.0
   60    51    54    55   0.23400  1.0 3.0
   60    51    54    56   0.23400  1.0 3.0
   60    51    54    57   0.23400  1.0 3.0
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    61   0.02550  1.0 1.0
   60    52    58    61  -0.02600 -1.0 2.0
   60    52    58    61   1.20400  1.0 3.0
   60    52    58    72   1.11900  1.0 1.0
   60    52    58    72  -1.16350 -1.0 2.0
   60    52    58    72  -0.34150  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51   -52    60   0.02550  1.0 1.0
   54    51   -52    60  -0.02600 -1.0 2.0
   54    51   -52    60   1.20400  1.0 3.0
   54    51   -60    52   0.06250  1.0 1.0
   54    51   -60    52  -0.01100 -1.0 2.0
   54    51   -60    52   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   61    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
   73    79    75    76  15.00000 -1.0 2.0
   77    78    76    75  15.00000 -1.0 2.0
END
