* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    219     426
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C19    36     1.82810    98.53095   180.00000
   34    33 S   F    F1__    37     1.36664   108.77513   -36.86444
   35    33 S   F    F2__    38     1.36585   108.78363    76.88671
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CA   _C18    39     1.50828   110.09631  -159.99304
   40    39 S   CA   _C17    40     1.39396   119.26403   -88.80175
   41    40 S   HA   _H21    41     1.08705   119.99600    -0.05935
   42    40 S   CA   _C16    42     1.39492   119.99238  -179.98022
   43    42 S   CA   _C15    43     1.39537   120.00084    -0.04846
   44    43 S   HA   _H20    44     1.08686   120.60372  -179.97202
   45    42 S   SY   _S1_    79     1.74562   120.05262   179.96044
   46    45 S   OY   _O35    80     1.45602   108.45007  -155.77165
   47    45 S   OY   _O36    81     1.45614   108.52518   -24.16854
   48    43 S   CA   _C14    45     1.39485   119.96272     0.01978
   49    48 S   HA   _H19    46     1.08746   119.59956  -180.00000
   50    45 S   NS   _N8_    82     1.70900   100.96771    89.99231
   51    50 S   H    _H22    83     1.02740   117.96148   -71.59721
   52    50 S   H    _H23    84     1.02755   118.02425    71.60707
   53    39 S   CA   _C13    47     1.39505   120.69819    91.19658
   54    53 S   OS   _O34    48     1.36265   120.79580    -0.05595
   55    54 S   CT   _C12    49     1.42586   117.05490  -180.00000
   56    55 S   HC   _H17    50     1.09482   108.50865    60.02309
   57    55 S   HC   _H18    51     1.09525   108.55465   -58.29161
   58    55 S   CT   _C11    52     1.51961   108.90654  -179.12307
   59    58 S   HC   _H15    53     1.09767   110.01994    63.28023
   60    58 S   HC   _H16    54     1.09675   109.94471   177.92935
   61    58 S   CT   _C10    55     1.52134   111.99154   -59.32830
   62    61 S   HC   _H13    56     1.09445   110.82531    59.97754
   63    61 S   HC   _H14    57     1.09443   111.31725   -60.64522
   64    61 S   OS   _O33    58     1.42093   109.79633   179.18483
   65    64 S   CA   _C7_    59     1.32724   114.99041   179.03531
   66    65 S   CA   _C8_    60     1.36041   120.40596   -90.04797
   67    66 S   NB   _N4_    61     1.39266   124.75815   180.00000
   68    66 S   NE   _N7_    76     1.38240   117.29275    -0.00000
   69    68 S   H    _H11    77     0.98741   117.68367     0.04846
   70    68 S   H    _H12    78     0.98803   117.67723   180.00000
   71    67 S   CQ   _C9_    62     1.29918   121.76159     0.02798
   72    71 S   NAP  _N5_    63     1.54996   120.38861     0.01978
   73    72 S   H    _H8_    64     1.01830   120.74467  -180.00000
   74    71 S   NE   _N6_    73     1.36725   124.43341  -180.00000
   75    74 S   H    _H9_    74     0.99504   118.44082     0.00000
   76    74 S   H    _H10    75     0.99559   118.39308  -179.97202
   77    65 S   CA   _C6_    65     1.47434   118.37299    90.02627
   78    77 S   CT   _C5_    66     1.48978   124.77655    -0.05595
   79    78 S   HC   _H6_    67     1.09424   108.62644  -135.00141
   80    78 S   HC   _H7_    68     1.09440   108.28489   -17.49988
   81    78 S   CT   _C4_    69     1.51573   110.61186   103.56337
   82    81 S   HC   _H3_    70     1.09466   110.56163   -59.61303
   83    81 S   HC   _H4_    71     1.09474   110.99503  -179.87805
   84    81 S   HC   _H5_    72     1.09560   111.02701    60.47913
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   9   4   3   2   1   1  10  11   4  11   9   4   6   4   3   4
   2   2   1   1   5   7   9   5   4   7   5   4   6   3   2   7
  13   9  10   4   1   1   7   9   3   3   1   1   7   6   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    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    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    48    53    54  
   35    39    40    53  
   39    40    53  
   37    38  
   38  
    0  
   40    41    42    43    48    49    53    54    55    45  
   41    42    43    44    48    53    54    45    46    47    50  
   42    43    53    45  
   43    44    48    49    53    45    46    47    50    51    52  
   44    48    49    53    54    45    46    47    50  
   48    49    53    45  
   46    47    50    51    52    48  
   47    50    51    52  
   50    51    52  
   49    53    54    55  
   53    54  
   51    52  
   52  
    0  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    77  
   63    64    65  
   64    65  
   65    66    67    72    77    78    68  
   66    67    71    72    73    77    78    79    80    81    68    69    70  
   67    71    72    77    78    74    68    69    70  
   71    72    73    77    74    75    76    68    69    70  
   69    70    71    77  
   70  
    0  
   72    73    77    78    74    75    76  
   73    77    78    79    80    81    74    75    76  
   77    78    74  
   75    76    77  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   46   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.278800   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   1.022800   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2800   0.1700  -0.709200   1.8650   1.6500   0.001000000  -0.511443539
   68   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   1.021200   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2500   0.1700  -1.134900   1.9750   1.7500   0.001000000  -0.511443539
   73   0.0000   0.0000   0.431900   0.9960   0.8600   0.030040813  -0.651083722
   74   3.3000   0.1700  -0.420000   1.8650   1.6500   0.051222218  -2.220205820
   75   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.532000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    53   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   225.000  1.779
   43    44   367.000  1.080
   43    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   320.000  1.410
   64    65   450.000  1.364
   65    66   469.000  1.400
   65    77   469.000  1.400
   66    67   483.000  1.339
   66    68   481.000  1.340
   67    71   502.000  1.324
   71    72   535.000  1.326
   71    74   410.000  1.375
   72    73   475.000  1.020
   72    77   485.000  1.342
   77    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   434.000  1.010
   74    76   434.000  1.010
   68    69   434.000  1.010
   68    70   434.000  1.010
   45    46   735.000  1.471
   45    47   735.000  1.471
   45    50   245.000  1.722
   50    51   500.000  1.020
   50    52   500.000  1.020
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    53    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    53    48    63.00000  120.00000
   39    53    54    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    65.00000  117.06700
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    48    63.00000  120.00000
   42    45    46   100.00000  107.67100
   42    45    47   100.00000  107.67100
   42    45    50    95.00000  101.59200
   43    48    49    35.00000  120.00000
   43    48    53    63.00000  120.00000
   48    43    44    35.00000  120.00000
   48    53    54    70.00000  120.00000
   53    39    40    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    50.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    75.00000  111.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    70.00000  120.00000
   64    65    77    70.00000  120.00000
   65    66    67    70.00000  124.00000
   65    66    68    70.00000  120.10000
   65    77    72    70.00000  119.29800
   65    77    78    70.00000  120.00000
   66    67    71    70.00000  118.60000
   66    68    69    35.00000  113.50000
   66    68    70    35.00000  113.50000
   67    71    72    80.00000  118.80000
   67    71    74    85.00000  116.09700
   71    72    73    45.00000  118.71300
   71    72    77    80.00000  116.44700
   71    74    75    50.00000  113.31100
   71    74    76    50.00000  113.31100
   72    77    78    70.00000  116.21300
   77    65    66    63.00000  120.00000
   77    72    73    45.00000  117.56800
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    70.00000  112.17500
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    72    85.00000  116.09700
   76    74    75    35.00000  109.00000
   68    66    67    80.00000  117.25000
   70    68    69    35.00000  109.00000
   45    42    43    65.00000  117.06700
   45    50    51    50.00000  110.93800
   45    50    52    50.00000  110.93800
   47    45    46   115.00000  120.17200
   50    45    46   115.00000  107.22500
   50    45    47   115.00000  107.22500
   52    50    51    35.00000  109.80100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    53  -0.16000  1.0 1.0
   29    33    39    53  -0.03200 -1.0 2.0
   29    33    39    53   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    53    48   3.62500 -1.0 2.0
   33    39    53    54   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    53   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    53   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    53    54    55   1.63200 -1.0 2.0
   40    39    53    48   3.62500 -1.0 2.0
   40    39    53    54   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    48   3.62500 -1.0 2.0
   40    42    45    46   0.19500  1.0 1.0
   40    42    45    46   0.12000 -1.0 2.0
   40    42    45    47   0.19500  1.0 1.0
   40    42    45    47   0.12000 -1.0 2.0
   40    42    45    50  -0.49050  1.0 1.0
   40    42    45    50   0.22250 -1.0 2.0
   40    42    45    50  -0.39350  1.0 3.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    48    49   3.62500 -1.0 2.0
   42    43    48    53   3.62500 -1.0 2.0
   42    45    50    51   1.01100  1.0 1.0
   42    45    50    51  -0.22250 -1.0 2.0
   42    45    50    51   1.33750  1.0 3.0
   42    45    50    52   1.01100  1.0 1.0
   42    45    50    52  -0.22250 -1.0 2.0
   42    45    50    52   1.33750  1.0 3.0
   43    42    45    46   0.19500  1.0 1.0
   43    42    45    46   0.12000 -1.0 2.0
   43    42    45    47   0.19500  1.0 1.0
   43    42    45    47   0.12000 -1.0 2.0
   43    42    45    50  -0.49050  1.0 1.0
   43    42    45    50   0.22250 -1.0 2.0
   43    42    45    50  -0.39350  1.0 3.0
   43    48   -53    39   3.62500 -1.0 2.0
   43    48    53    54   3.62500 -1.0 2.0
   44    43    48    49   3.62500 -1.0 2.0
   44    43    48    53   3.62500 -1.0 2.0
   48    53    54    55   1.63200 -1.0 2.0
   49    48    53    39   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   53    39    40    41   3.62500 -1.0 2.0
   53    39   -40    42   3.62500 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57   0.08050  1.0 3.0
   53    54    55    58  -0.32850  1.0 1.0
   53    54    55    58  -0.35800 -1.0 2.0
   53    54    55    58   0.33950  1.0 3.0
   54    55    58    59   0.23400  1.0 3.0
   54    55    58    60   0.23400  1.0 3.0
   54    55    58    61   0.62750  1.0 1.0
   54    55    58    61  -0.30950 -1.0 2.0
   54    55    58    61   0.27300  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    64   0.62750  1.0 1.0
   55    58    61    64  -0.30950 -1.0 2.0
   55    58    61    64   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    64    65  -0.32850  1.0 1.0
   58    61    64    65  -0.35800 -1.0 2.0
   58    61    64    65   0.33950  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   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    64    65    66   1.63200 -1.0 2.0
   61    64    65    77   1.63200 -1.0 2.0
   62    61    64    65   0.08050  1.0 3.0
   63    61    64    65   0.08050  1.0 3.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    77    72   3.62500 -1.0 2.0
   64    65    77    78   3.62500 -1.0 2.0
   65    66    67    71   3.62500 -1.0 2.0
   65    66    68    69   1.00000 -1.0 2.0
   65    66    68    70   1.00000 -1.0 2.0
   65    77    78    79   0.00000  1.0 1.0
   65    77    78    80   0.00000  1.0 1.0
   65    77    78    81   0.04150 -1.0 2.0
   66    65    77    72   3.62500 -1.0 2.0
   66    65    77    78   3.62500 -1.0 2.0
   66    67   -71    72   3.62500 -1.0 2.0
   66    67    71    74   3.62500 -1.0 2.0
   67    66    68    69   1.75000 -1.0 2.0
   67    66    68    70   1.75000 -1.0 2.0
   67    71    72    73   3.62500 -1.0 2.0
   67    71    72    77   3.62500 -1.0 2.0
   67    71    74    75   1.75000 -1.0 2.0
   67    71    74    76   1.75000 -1.0 2.0
   71    72   -77    65   3.62500 -1.0 2.0
   71    72    77    78   3.62500 -1.0 2.0
   72    71    74    75   1.75000 -1.0 2.0
   72    71    74    76   1.75000 -1.0 2.0
   72    77    78    79   0.00000  1.0 1.0
   72    77    78    80   0.00000  1.0 1.0
   72    77    78    81   0.29300  1.0 1.0
   72    77    78    81  -1.19700 -1.0 2.0
   72    77    78    81   0.60900  1.0 3.0
   73    72    77    65   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   77    65   -66    67   3.62500 -1.0 2.0
   77    65    66    68   3.62500 -1.0 2.0
   77    78    81    82   0.43200  1.0 3.0
   77    78    81    83   0.43200  1.0 3.0
   77    78    81    84   0.43200  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    77   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    48   3.62500 -1.0 2.0
   46    45    50    51   1.12100  1.0 1.0
   46    45    50    51   0.54800 -1.0 2.0
   46    45    50    51  -0.29400  1.0 3.0
   46    45    50    52   1.12100  1.0 1.0
   46    45    50    52   0.54800 -1.0 2.0
   46    45    50    52  -0.29400  1.0 3.0
   47    45    50    51   1.12100  1.0 1.0
   47    45    50    51   0.54800 -1.0 2.0
   47    45    50    51  -0.29400  1.0 3.0
   47    45    50    52   1.12100  1.0 1.0
   47    45    50    52   0.54800 -1.0 2.0
   47    45    50    52  -0.29400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    53    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   53    49    48    43   1.10000 -1.0 2.0
   48    54    53    39   4.00000 -1.0 2.0
   66    77    65    64   4.00000 -1.0 2.0
   67    68    66    65   4.00000 -1.0 2.0
   72    74    71    67   4.00000 -1.0 2.0
   73    71    72    77   1.00000 -1.0 2.0
   72    78    77    65   4.00000 -1.0 2.0
   76    71    74    75   1.00000 -1.0 2.0
   70    66    68    69   1.00000 -1.0 2.0
   52    45    50    51   1.00000 -1.0 2.0
END
