* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    251     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087   102.50295   -41.96161
    3     1 S   H    _H1_     3     1.02136    73.25390    64.08025
    4     1 S   H    _H2_     4     1.02082    40.61976  -146.12955
    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   _C14    36     1.83227    97.81176   161.82019
   34    33 S   HC   _H8_    37     1.09596   105.53679   -42.69919
   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   CA   _C15    38     1.51735   110.73390  -160.00118
   39    33 S   CT   _C13    49     1.53544   109.40798    73.18192
   40    39 S   HC   _H18    50     1.09730   112.24648    64.82127
   41    39 S   HC   _H19    51     1.09733   111.37657   -53.97857
   42    38 S   CA   _C16    39     1.39442   120.02716    85.94256
   43    42 S   HA   _H20    40     1.08666   120.50972    -0.07402
   44    39 S   CO4  _C12    52     1.51229   111.85499  -174.06337
   45    44 S   O    _O34    53     1.22413   123.75492   -93.75584
   46    42 S   CA   _C17    41     1.39546   120.02863  -180.00000
   47    46 S   HA   _H21    42     1.08560   120.00674   179.92087
   48    44 S   OS   _O33    54     1.36533   110.13142    86.11170
   49    46 S   CA   _C18    43     1.39487   119.94177    -0.06256
   50    49 S   HA   _H22    44     1.08681   119.98610   179.92087
   51    48 S   CT   _C10    55     1.42758   115.52656  -179.89721
   52    51 S   HC   _H7_    56     1.09690   106.31077   -29.95487
   53    49 S   CA   _C19    45     1.39442   120.02956     0.06853
   54    53 S   HA   _H23    46     1.08644   120.02371   179.89532
   55    51 S   CT   _C11    57     1.54242   107.89555    86.86835
   56    55 S   HC   _H16    58     1.09694   109.90181   -38.34452
   57    55 S   HC   _H17    59     1.09787   108.52793  -155.27708
   58    51 S   CT   _C9_    70     1.54220   111.68808  -149.95810
   59    58 S   HC   _H6_    71     1.10008   107.33881   161.20014
   60    38 S   CA   _C20    47     1.39525   119.97456   -94.08714
   61    60 S   HA   _H24    48     1.08735   120.50571    -0.03426
   62    55 S   CT   _C5_    60     1.54257   113.82636    84.12827
   63    62 S   HC   _H4_    61     1.09498   111.00028   175.94122
   64    58 S   CO4  _C21    72     1.50052   112.04199    46.42785
   65    64 S   O    _O35    73     1.22350   124.07096  -123.80243
   66    62 S   CT   _C6_    62     1.52821   113.44975   -55.10234
   67    66 S   HC   _H12    63     1.09444   112.74635   -36.14006
   68    66 S   HC   _H13    64     1.09604   110.14450  -155.06672
   69    64 S   OS   _O36    74     1.36386   109.48154    56.19183
   70    66 S   CT   _C7_    65     1.53280   105.49309    86.99522
   71    70 S   HC   _H14    66     1.09728   109.21288   118.83598
   72    70 S   HC   _H15    67     1.09387   112.36474  -123.29293
   73    69 S   CT   _C22    75     1.43085   115.39314   179.97202
   74    73 S   HC   _H25    76     1.09257   109.53788  -179.97202
   75    73 S   HC   _H26    77     1.09291   109.57288    59.19744
   76    73 S   HC   _H27    78     1.09319   109.00986   -60.41505
   77    70 S   CT   _C8_    68     1.53208   105.86291     0.44057
   78    77 S   HC   _H5_    69     1.09618   112.86039   143.65434
   79    62 S   NP   _N4_    79     1.51679   106.60759    57.29285
   80    79 S   H    _H3_    80     1.02964   109.50228    41.16217
   81    79 S   CT   _C4_    81     1.50107   115.05342   160.08655
   82    81 S   HC   _H9_    82     1.09130   107.74325    59.05316
   83    81 S   HC   _H10    83     1.09152   107.79867   179.05747
   84    81 S   HC   _H11    84     1.09094   107.80371   -60.88807
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   6   3  10
   5   3  16   8   3   2  15   6   5  15   7   1   1  15   8  10
   3  10   6   5   5   7   4   3   3   2   1   1   7   3   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    53    54    60    61    39    40    41    44  
   40    41    44    45    48    51    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    53    60    61  
   46    47    49    60  
   45    48    51    52    55    58  
   48    51  
   47    49    50    53    54    60  
   49    50    53  
   51    52    55    56    57    62    77    58    59    64  
   50    53    54    60    61  
   53    54    60  
   52    55    56    57    62    63    66    70    77    78    58    59    64    65    69    79  
   55    56    57    62    77    58    59    64  
   54    60    61  
   60    61  
   56    57    62    63    66    67    68    70    77    58    59    64    79    80    81  
   57    62    63    66    58    79  
   62    63    66    58    79  
   59    64    65    69    73    79    80    81    62    66    70    71    72    77    78  
   64    65    69    79    70    77    78  
   61  
    0  
   63    66    67    68    70    71    72    77    78    79    80    81    82    83    84  
   66    67    68    70    77    79    80    81  
   65    69    73    74    75    76    79    70    77    78  
   69    73    77  
   67    68    70    71    72    77    78    79    80    81  
   68    70    71    72    77    79  
   70    71    72    77    79  
   73    74    75    76    77  
   71    72    77    78    79    80    81  
   72    77    78    79  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   80   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    79   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    58   268.000  1.529
   77    79   367.000  1.471
   58    59   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   79    80   434.000  1.010
   79    81   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    53    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    60    61    35.00000  120.00000
   60    38    42    63.00000  120.00000
   60    53    54    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    55    50.00000  109.50000
   48    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   51    58    77    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    64    63.00000  111.10000
   55    51    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    79    80.00000  111.20000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    79    77    75.00000  113.01200
   62    79    80    35.00000  109.50000
   62    79    81    75.00000  113.01200
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    58    58.35000  112.70000
   70    77    79    80.00000  111.20000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    64    63.00000  111.10000
   77    79    80    35.00000  109.50000
   77    79    81    75.00000  113.01200
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    64    65    80.00000  120.40000
   58    64    69    81.00000  111.40000
   64    58    59    35.00000  109.50000
   64    69    73    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   79    62    63    35.00000  109.50000
   79    62    66    80.00000  111.20000
   79    77    78    35.00000  109.50000
   79    77    58    80.00000  111.20000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   81    79    80    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    53   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    60    53   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    60   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53   -60    38   3.62500 -1.0 2.0
   49    53    60    61   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    60   3.62500 -1.0 2.0
   54    53    60    38   3.62500 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    51   1.63150  1.0 1.0
   39    44    48    51   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.08050  1.0 3.0
   44    48    51    55  -0.25900  1.0 1.0
   44    48    51    55  -0.47000 -1.0 2.0
   44    48    51    55   0.11750  1.0 3.0
   44    48    51    58  -0.25900  1.0 1.0
   44    48    51    58  -0.47000 -1.0 2.0
   44    48    51    58   0.11750  1.0 3.0
   45    44    48    51   3.00000 -1.0 2.0
   48    51    55    56   0.23400  1.0 3.0
   48    51    55    57   0.23400  1.0 3.0
   48    51    55    62   0.62750  1.0 1.0
   48    51    55    62  -0.30950 -1.0 2.0
   48    51    55    62   0.27300  1.0 3.0
   48    51    58    77   0.62750  1.0 1.0
   48    51    58    77  -0.30950 -1.0 2.0
   48    51    58    77   0.27300  1.0 3.0
   48    51    58    59   0.23400  1.0 3.0
   48    51    58    64  -0.09450  1.0 1.0
   48    51    58    64  -1.12950 -1.0 2.0
   48    51    58    64   0.54000  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    66   0.56750  1.0 1.0
   51    55    62    66  -0.07550 -1.0 2.0
   51    55    62    66   0.20000  1.0 3.0
   51    55    62    79   1.36600  1.0 1.0
   51    55    62    79  -0.11450 -1.0 2.0
   51    55    62    79   0.24250  1.0 3.0
   51    58    64    65   0.30150 -1.0 2.0
   51    58    64    69   0.36750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    62   0.15000  1.0 3.0
   52    51    58    77   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    64  -0.11250  1.0 3.0
   55    51    58    77   0.56750  1.0 1.0
   55    51    58    77  -0.07550 -1.0 2.0
   55    51    58    77   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    64  -0.95700  1.0 1.0
   55    51    58    64  -0.18200 -1.0 2.0
   55    51    58    64   0.29450  1.0 3.0
   55    62    66    67   0.15000  1.0 3.0
   55    62    66    68   0.15000  1.0 3.0
   55    62    66    70   0.56750  1.0 1.0
   55    62    66    70  -0.07550 -1.0 2.0
   55    62    66    70   0.20000  1.0 3.0
   55    62   -79    77   0.47100  1.0 1.0
   55    62    79    80   0.17350  1.0 3.0
   55    62    79    81   0.47100  1.0 1.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    66   0.15000  1.0 3.0
   56    55    62    79   0.19200  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    66   0.15000  1.0 3.0
   57    55    62    79   0.19200  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    72   0.15000  1.0 3.0
   62    66   -70    77   0.56750  1.0 1.0
   62    66   -70    77  -0.07550 -1.0 2.0
   62    66   -70    77   0.20000  1.0 3.0
   62    79    81    82   0.15000  1.0 3.0
   62    79    81    83   0.15000  1.0 3.0
   62    79    81    84   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    79    77   0.15000  1.0 3.0
   63    62    79    80   0.13050  1.0 3.0
   63    62    79    81   0.15000  1.0 3.0
   66    62   -79    77   0.47100  1.0 1.0
   66    62    79    80   0.17350  1.0 3.0
   66    62    79    81   0.47100  1.0 1.0
   66    70    77    78   0.15000  1.0 3.0
   66    70    77    58   0.56750  1.0 1.0
   66    70    77    58  -0.07550 -1.0 2.0
   66    70    77    58   0.20000  1.0 3.0
   66    70   -77    79   1.36600  1.0 1.0
   66    70   -77    79  -0.11450 -1.0 2.0
   66    70   -77    79   0.24250  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    77   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    77   0.15000  1.0 3.0
   70    77    58    51   0.56750  1.0 1.0
   70    77    58    51  -0.07550 -1.0 2.0
   70    77    58    51   0.20000  1.0 3.0
   70    77    58    59   0.15000  1.0 3.0
   70    77    58    64  -0.95700  1.0 1.0
   70    77    58    64  -0.18200 -1.0 2.0
   70    77    58    64   0.29450  1.0 3.0
   70    77   -79    62   0.47100  1.0 1.0
   70    77    79    80   0.17350  1.0 3.0
   70    77    79    81   0.47100  1.0 1.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    58   0.15000  1.0 3.0
   71    70    77    79   0.19200  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    58   0.15000  1.0 3.0
   72    70    77    79   0.19200  1.0 3.0
   77    58    64    65   0.30150 -1.0 2.0
   77    58    64    69   0.36750  1.0 3.0
   77    79    81    82   0.15000  1.0 3.0
   77    79    81    83   0.15000  1.0 3.0
   77    79    81    84   0.15000  1.0 3.0
   78    77    58    51   0.15000  1.0 3.0
   78    77    58    59   0.15000  1.0 3.0
   78    77    58    64  -0.11250  1.0 3.0
   78    77    79    62   0.15000  1.0 3.0
   78    77    79    80   0.13050  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    62   0.56750  1.0 1.0
   58    51    55    62  -0.07550 -1.0 2.0
   58    51    55    62   0.20000  1.0 3.0
   58    77   -79    62   0.47100  1.0 1.0
   58    77    79    80   0.17350  1.0 3.0
   58    77    79    81   0.47100  1.0 1.0
   58    64    69    73   1.63150  1.0 1.0
   58    64    69    73   2.92000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    69   0.00000  1.0 1.0
   64    69    73    74   0.08050  1.0 3.0
   64    69    73    75   0.08050  1.0 3.0
   64    69    73    76   0.08050  1.0 3.0
   65    64    69    73   3.00000 -1.0 2.0
   79    62    66    67   0.19200  1.0 3.0
   79    62    66    68   0.19200  1.0 3.0
   79    62   -66    70   1.36600  1.0 1.0
   79    62   -66    70  -0.11450 -1.0 2.0
   79    62   -66    70   0.24250  1.0 3.0
   79    77   -58    51   1.36600  1.0 1.0
   79    77   -58    51  -0.11450 -1.0 2.0
   79    77   -58    51   0.24250  1.0 3.0
   79    77    58    59   0.19200  1.0 3.0
   79    77    58    64  -1.46550  1.0 1.0
   79    77    58    64  -0.30600 -1.0 2.0
   79    77    58    64  -0.05950  1.0 3.0
   80    79    81    82   0.13050  1.0 3.0
   80    79    81    83   0.13050  1.0 3.0
   80    79    81    84   0.13050  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
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   53    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   58    69    64    65  10.50000 -1.0 2.0
END
