* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    161    250     470
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02010    45.40306   105.87398
    3     1 S   H    _H1_     3     1.02079    67.38954  -100.38060
    4     1 S   H    _H2_     4     1.02012   104.84360     4.00815
    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   _C20    36     1.80776    98.61927  -178.16656
   34    33 S   HC   _H21    37     1.09272   109.27617    40.68858
   35    33 S   HC   _H22    38     1.09270   109.40658   159.04954
   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   CM   _C18    39     1.49058   109.99732   -80.00300
   40    39 S   CM   _C19    40     1.33988   127.14225   120.32440
   41    40 S   OS   _O37    41     1.39087   114.94663  -173.89208
   42    40 S   OH   _O38    84     1.37048   126.24815     3.73397
   43    42 S   HO   _H20    85     0.96703   110.48384   179.95577
   44    41 S   CT   _C16    42     1.44108   102.84994   -16.59571
   45    44 S   HC   _H5_    43     1.09733   105.41203   -90.99049
   46    44 S   CM   _C15    44     1.49581   108.17283   149.19361
   47    46 S   HC   _H19    45     1.08932   115.15307   -59.50195
   48    39 S   CT   _C17    61     1.51262   123.68881   -51.59136
   49    48 S   HC   _H6_    62     1.09950   106.10606    74.71214
   50    46 S   CM   _C14    46     1.34779   125.89882   127.58258
   51    50 S   CT   _C13    47     1.51305   119.03142   165.16223
   52    51 S   HC   _H17    48     1.09859   110.30603    19.34546
   53    51 S   HC   _H18    49     1.09549   110.60166   136.31746
   54    50 S   CT   _C21    78     1.50887   124.14343    -3.79132
   55    54 S   HC   _H23    79     1.09601   112.21894   178.17737
   56    54 S   HC   _H24    80     1.09625   108.82446   -64.66243
   57    51 S   CT   _C12    50     1.53835   110.68550  -100.88709
   58    57 S   HC   _H15    51     1.09668   109.07150   163.02048
   59    57 S   HC   _H16    52     1.09575   109.89526   -81.41167
   60    57 S   C3T  _C11    53     1.49988   111.34955    42.56853
   61    60 S   HC   _H4_    54     1.08258   112.63620    70.57008
   62    60 S   C3T  _C10    55     1.53777   121.69318   -80.42408
   63    62 S   CT   _C9_    56     1.51425   117.67948   156.68862
   64    63 S   HC   _H13    57     1.10031   106.60386   120.93091
   65    63 S   HC   _H14    58     1.09887   109.97513     8.85943
   66    62 S   CO   _C22    75     1.51781   122.02162    -9.72749
   67    66 S   HC   _H7_    76     1.09602   111.60895   -31.78572
   68    60 S   O3T  _O36    83     1.42082   116.70561  -148.46297
   69    63 S   CT   _C8_    59     1.54764   118.95000  -116.82990
   70    69 S   HC   _H3_    60     1.09965   110.32846   -47.28771
   71    66 S   OS   _O39    77     1.42835   111.16617    90.79599
   72    66 S   OH   _O40    81     1.42966   108.54423  -148.39369
   73    72 S   HO   _H25    82     0.96856   106.25487   179.98022
   74    69 S   OS   _O35    63     1.43555   104.04810  -160.91085
   75    74 S   CO4  _C7_    64     1.35920   115.58496    86.41117
   76    75 S   O    _O34    65     1.22340   125.94233     0.06256
   77    75 S   CM   _C5_    66     1.48971   109.56869  -179.86438
   78    77 S   CM   _C4_    67     1.34132   116.95114  -120.10234
   79    78 S   HC   _H8_    68     1.08613   120.82332  -179.56121
   80    78 S   HC   _H9_    69     1.08418   122.68955     0.48497
   81    77 S   CT   _C6_    70     1.50032   120.97001    60.93255
   82    81 S   HC   _H10    71     1.09528   111.64345   -61.04218
   83    81 S   HC   _H11    72     1.09496   110.86093   178.75967
   84    81 S   OH   _O33    73     1.42142   109.43187    58.39793
   85    84 S   HO   _H12    74     0.97166   106.77451  -179.97202
  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
  10   4   3   2   1   1  13   9  10   3   1  12   6  13   4  10
   4  12  13   6   5   8   3   2   8   5   4  11   4  12  11   6
   5   6   4   3   5   2   2   1   1   5   9   3   8   6   2   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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    69    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    63    69    70    48    49    74    42    43  
   41    44    45    46    69    48    49    42    43  
   44    45    46    47    50    69    48    49    42    43  
   43    44    48  
    0  
   45    46    47    50    51    63    69    70    48    49    74    54  
   46    47    50    69    48    49  
   47    50    51    52    53    57    69    48    49    71    54    55    56  
   50    51    48    54  
   49    74    75    50    62    63    64    65    69    70  
   74    63    69    70  
   51    52    53    57    58    59    60    66    71    54    55    56  
   52    53    57    58    59    60    61    62    71    54    55    56    68  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    72    57    62    66    67    71  
   56    66    71  
   66    71  
   58    59    60    61    62    63    66    68  
   59    60    61    62    68  
   60    61    62    68  
   61    62    63    64    65    69    66    67    71    72    68  
   62    63    66    68  
   63    64    65    69    70    74    66    67    71    72    73    68  
   64    65    69    70    74    75    66    67    71    72    68  
   65    69    70    74    66    68  
   69    70    74    66    68  
   67    71    72    73    68    69  
   71    72    73    68  
   69    71    72  
   70    74    75    76    77  
   74    75  
   72    73  
   73  
    0  
   75    76    77    78    81  
   76    77    78    79    80    81    82    83    84  
   77    78    81  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   275.000  1.510
   60    61   340.000  1.088
   60    62   260.000  1.509
   60    68   335.000  1.432
   62    63   275.000  1.510
   62    66   275.000  1.510
   62    68   335.000  1.432
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    81   317.000  1.510
   78    79   340.000  1.080
   78    80   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   553.000  0.945
   66    67   340.000  1.090
   66    71   320.000  1.380
   66    72   380.000  1.407
   71    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   72    73   553.000  0.945
   42    43   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    69    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    85.00000  110.90400
   41    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    54    71    85.00000  110.90400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    70.00000  112.37300
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    40.00000  115.04500
   57    60    62    60.00000  120.94000
   57    60    68    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    45.00000  109.38400
   60    57    59    45.00000  109.38400
   60    62    63    60.00000  120.94000
   60    62    66    60.00000  120.94000
   60    62    68    15.00000   60.43100
   60    68    62    15.00000   59.14900
   62    60    61    37.50000  117.20000
   62    63    64    45.00000  109.38400
   62    63    65    45.00000  109.38400
   62    63    69    70.00000  112.37300
   62    66    67    45.00000  112.01100
   62    66    71    90.00000  108.56700
   62    66    72    90.00000  110.19100
   63    69    70    37.50000  110.70000
   63    69    48    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    74    75    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   74    69    70    35.00000  109.50000
   74    69    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    81    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    80    35.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    90.00000  110.39200
   80    78    79    35.00000  117.00000
   81    77    78    70.00000  124.00000
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   66    62    63    75.00000  109.43000
   66    71    54    60.00000  109.50000
   66    72    73    70.00000  107.92000
   71    66    67    35.00000  109.50000
   71    54    55    35.00000  109.50000
   71    54    56    35.00000  109.50000
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   72    66    67    60.00000  108.02500
   72    66    71   110.00000  112.08000
   68    60    61    50.00000  114.27700
   68    60    62    15.00000   60.43100
   68    62    63    80.00000  116.47100
   68    62    66    80.00000  116.47100
   42    40    41   115.00000  116.36000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    69   0.46850  1.0 1.0
   33    39    48    69   0.08550 -1.0 2.0
   33    39    48    69   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    69   0.09850  1.0 1.0
   40    39    48    69   0.15250 -1.0 2.0
   40    39    48    69  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.48150  1.0 1.0
   40    41    44    46   0.09250 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.00000  1.0 1.0
   41    44    46    50   0.39000  1.0 1.0
   41    44    46    50  -0.05800 -1.0 2.0
   41    44    46    50  -0.55150  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    69   0.62750  1.0 1.0
   41    44    48    69  -0.30950 -1.0 2.0
   41    44    48    69   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.31000  1.0 1.0
   46    44    48    39   0.14700 -1.0 2.0
   46    44    48    39   0.07550  1.0 3.0
   46    44    48    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    54    71   0.39000  1.0 1.0
   46    50    54    71  -0.05800 -1.0 2.0
   46    50    54    71  -0.55150  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    60   0.34400  1.0 1.0
   50    51    57    60   0.09450 -1.0 2.0
   50    51    57    60   0.11100  1.0 3.0
   51    50    54    71   0.09700  1.0 1.0
   51    50    54    71   0.15600 -1.0 2.0
   51    50    54    71  -0.50800  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.07850  1.0 1.0
   51    57    60    62  -0.03950 -1.0 2.0
   51    57    60    62   0.67350  1.0 3.0
   51    57    60    68   0.02550  1.0 1.0
   51    57    60    68  -0.02600 -1.0 2.0
   51    57    60    68   1.20400  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    60    62    63   0.56750  1.0 1.0
   57    60    62    63  -0.07550 -1.0 2.0
   57    60    62    63   0.20000  1.0 3.0
   57    60    62    66   3.97050  1.0 1.0
   57    60   -62    68   0.02550  1.0 1.0
   57    60   -62    68  -0.02600 -1.0 2.0
   57    60   -62    68   1.20400  1.0 3.0
   57    60   -68    62   0.06250  1.0 1.0
   57    60   -68    62  -0.01100 -1.0 2.0
   57    60   -68    62   0.28050  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    68   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    68   0.23400  1.0 3.0
   60    62    63    64   0.15000  1.0 3.0
   60    62    63    65   0.15000  1.0 3.0
   60    62    63    69   0.07850  1.0 1.0
   60    62    63    69  -0.03950 -1.0 2.0
   60    62    63    69   0.67350  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    71  -0.26800  1.0 1.0
   60    62    66    71   0.69150 -1.0 2.0
   60    62    66    71  -0.48750  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60   -62    68   0.23400  1.0 3.0
   61    60   -68    62   0.36800  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    48   0.47050  1.0 1.0
   62    63    69    48   0.03900 -1.0 2.0
   62    63    69    48   0.20100  1.0 3.0
   62    63    69    74  -0.26800  1.0 1.0
   62    63    69    74   0.69150 -1.0 2.0
   62    63    69    74  -0.48750  1.0 3.0
   62    66    71    54   0.06250  1.0 1.0
   62    66    71    54  -0.01100 -1.0 2.0
   62    66    71    54   0.28050  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.62750  1.0 1.0
   63    62    66    71  -0.30950 -1.0 2.0
   63    62    66    71   0.27300  1.0 3.0
   63    62    66    72   0.86500  1.0 1.0
   63    62    66    72  -0.17500 -1.0 2.0
   63    62    66    72   0.20800  1.0 3.0
   63    62   -68    60   0.06250  1.0 1.0
   63    62   -68    60  -0.01100 -1.0 2.0
   63    62   -68    60   0.28050  1.0 3.0
   63    69    48    39   0.34400  1.0 1.0
   63    69    48    39   0.09450 -1.0 2.0
   63    69    48    39   0.11100  1.0 3.0
   63    69    48    44   0.56750  1.0 1.0
   63    69    48    44  -0.07550 -1.0 2.0
   63    69    48    44   0.20000  1.0 3.0
   63    69    48    49   0.15000  1.0 3.0
   63    69    74    75  -0.25900  1.0 1.0
   63    69    74    75  -0.47000 -1.0 2.0
   63    69    74    75   0.11750  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    74   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    74   0.23400  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   2.00000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    74    75   0.08050  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    69    74    75  -0.25900  1.0 1.0
   48    69    74    75  -0.47000 -1.0 2.0
   48    69    74    75   0.11750  1.0 3.0
   74    69    48    39   0.61850  1.0 1.0
   74    69    48    39  -0.22750 -1.0 2.0
   74    69    48    39   0.15300  1.0 3.0
   74    69    48    44   0.62750  1.0 1.0
   74    69    48    44  -0.30950 -1.0 2.0
   74    69    48    44   0.27300  1.0 3.0
   74    69    48    49   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    81  -0.15000  1.0 1.0
   74    75    77    81   0.89550 -1.0 2.0
   74    75    77    81  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    80   7.00000 -1.0 2.0
   75    77    81    82   0.15000  1.0 3.0
   75    77    81    83   0.15000  1.0 3.0
   75    77    81    84   0.09700  1.0 1.0
   75    77    81    84   0.15600 -1.0 2.0
   75    77    81    84  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    81  -0.64400  1.0 1.0
   76    75    77    81   0.26850 -1.0 2.0
   77    81    84    85  -0.07800  1.0 1.0
   77    81    84    85  -0.21500 -1.0 2.0
   77    81    84    85  -0.03150  1.0 3.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.67800  1.0 1.0
   78    77    81    84   0.47050 -1.0 2.0
   78    77    81    84  -0.62500  1.0 3.0
   81    77    78    79   7.00000 -1.0 2.0
   81    77    78    80   7.00000 -1.0 2.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    69   3.97050  1.0 1.0
   66    62   -68    60   0.06250  1.0 1.0
   66    62   -68    60  -0.01100 -1.0 2.0
   66    62   -68    60   0.28050  1.0 3.0
   66    71    54    50  -0.77900  1.0 1.0
   66    71    54    50  -0.36900 -1.0 2.0
   66    71    54    50   0.40400  1.0 3.0
   66    71    54    55   0.37050  1.0 3.0
   66    71    54    56   0.37050  1.0 3.0
   67    66    71    54   0.37050  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   71    66    72    73  -0.50000  1.0 1.0
   71    66    72    73  -0.73950 -1.0 2.0
   71    66    72    73   0.17150  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    57   0.46850  1.0 1.0
   54    50    51    57   0.08550 -1.0 2.0
   54    50    51    57   0.09800  1.0 3.0
   72    66    71    54  -0.70900  1.0 1.0
   72    66    71    54  -1.18000 -1.0 2.0
   72    66    71    54   0.91650  1.0 3.0
   68    60   -62    63   0.02550  1.0 1.0
   68    60   -62    63  -0.02600 -1.0 2.0
   68    60   -62    63   1.20400  1.0 3.0
   68    60   -62    66   0.02550  1.0 1.0
   68    60   -62    66  -0.02600 -1.0 2.0
   68    60   -62    66   1.20400  1.0 3.0
   68    62    63    64   0.23400  1.0 3.0
   68    62    63    65   0.23400  1.0 3.0
   68    62    63    69   0.02550  1.0 1.0
   68    62    63    69  -0.02600 -1.0 2.0
   68    62    63    69   1.20400  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    71   1.11900  1.0 1.0
   68    62    66    71  -1.16350 -1.0 2.0
   68    62    66    71  -0.34150  1.0 3.0
   68    62    66    72   3.69350  1.0 1.0
   68    62    66    72  -1.82950 -1.0 2.0
   42    40    41    44   2.00000 -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
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    81    77    78  15.00000 -1.0 2.0
   79    80    78    77  15.00000 -1.0 2.0
END
