* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    142    207     406
    1     0 S   NP   _N1_     1    28.75334    95.81795   -23.28714
    2     1 S   H    _HN1     2     1.02949    73.27800    19.97501
    3     1 S   H    _H1_     3     1.02829    36.99124   175.27909
    4     1 S   H    _H2_     4     1.02788   105.20327   -85.04644
    5     1 S   CT   _CA1     5     1.50110   138.14105   122.12903
    6     5 S   HC   _HA1     6     1.09571   105.19906    90.23807
    7     5 S   CO3  _C1_     7     1.53789   112.45707   -30.02531
    8     7 S   O2Z  _O11     8     1.26374   115.00837   -42.81487
    9     7 S   O2Z  _O12     9     1.26238   114.94189   136.31990
   10     5 S   CT   _CB1    10     1.53076   107.42626  -151.76040
   11    10 S   HC   HB11    11     1.09834   109.39131   -49.54869
   12    10 S   HC   HB12    12     1.09813   110.44025    67.06197
   13    10 S   CT   _CG1    13     1.52998   112.60577  -170.51038
   14    13 S   HC   HG11    14     1.09580   110.65325   -65.46966
   15    13 S   HC   HG12    15     1.09669   109.77732    53.77463
   16    13 S   C    _CD1    16     1.51798   112.17818   174.25775
   17    16 S   O    _OE1    17     1.22736   123.25470     7.67455
   18    16 S   N    _N2_    18     1.38655   111.70743  -172.44649
   19    18 S   H    _HN2    19     1.01574   118.95988     1.81844
   20    18 S   CT1  _CA2    20     1.46223   123.38517   177.70791
   21    20 S   HC   _HA2    21     1.09737   109.33199     4.03925
   22    20 S   C    _C2_    22     1.53572   108.61366  -111.47124
   23    22 S   O    _O2_    23     1.23058   122.30043  -147.54175
   24    20 S   CT   _CB2    32     1.53346   111.63163   125.99651
   25    24 S   HC   HB21    33     1.09593   110.11882    57.04571
   26    24 S   HC   HB22    34     1.09473   109.99036   176.10932
   27    22 S   N    _N3_    24     1.38337   113.72614    39.86089
   28    27 S   H    _HN3    25     1.01574   119.59925    -3.19273
   29    24 S   S    _SG2    35     1.82734   111.49727   -63.75074
   30    27 S   CT   _CA3    26     1.45289   123.22502   177.19307
   31    30 S   HC   HA31    27     1.09549   107.49951   -64.87279
   32    30 S   HC   HA32    28     1.09556   108.00010    51.57215
   33    29 S   CT   _C16    36     1.81917    99.60287   175.73828
   34    33 S   HC   _H3_    37     1.09639   110.06630   -46.25810
   35    30 S   CO3  _C3_    29     1.52965   114.07232   173.57194
   36    35 S   O2Z  _O31    30     1.26376   116.06756    -0.82803
   37    35 S   O2Z  _O32    31     1.26428   114.41438   179.23639
   38    33 S   CM   _C10    38     1.48854   111.69043    74.92160
   39    38 S   HC   _H28    39     1.09186   114.17672   -82.76322
   40    38 S   CMA  _C11    40     1.35262   128.23179   100.30443
   41    40 S   OM   _O20    41     1.26649   124.51248   176.88366
   42    40 S   CA   _C5_    42     1.52183   114.20929    -3.88020
   43    42 S   CA   _C6_    43     1.41218   121.53227    15.59156
   44    43 S   CA   _C9_    44     1.41547   121.60359   179.77971
   45    33 S   CO4  _C12    79     1.50715   108.49333  -162.81253
   46    45 S   O    _O21    80     1.22820   121.25286    90.27557
   47    44 S   CA   _C7_    45     1.40341   120.98541    -3.20919
   48    44 S   OS   _O24    74     1.37472   120.55935   179.40226
   49    47 S   CA   _C4_    46     1.39771   117.83391     3.27871
   50    49 S   HA   _H27    47     1.08844   120.00839   179.06518
   51    47 S   CT   _C22    51     1.51913   122.28681  -176.88096
   52    51 S   HC   _H45    52     1.09674   111.10970     9.06958
   53    48 S   CT   _C20    75     1.42925   110.70421   -88.15022
   54    53 S   HC   _H40    76     1.09402   107.70931   176.92980
   55    53 S   HC   _H41    77     1.09461   111.85787    58.42994
   56    53 S   HC   _H42    78     1.09427   111.13441   -64.99966
   57    42 S   CA   _C8_    48     1.41457   122.44385  -165.75505
   58    51 S   CT   _C21    53     1.53969   111.20947  -112.46946
   59    58 S   HC   _H43    54     1.09742   110.24101    48.39378
   60    58 S   HC   _H44    55     1.09496   110.85538   -68.50668
   61    51 S   OS   _O25    67     1.44930   109.08350   129.01772
   62    57 S   OH   _O23    49     1.37417   123.22166     2.09536
   63    62 S   HO   _H46    50     0.97553   107.43936    -3.15169
   64    58 S   CM   _C13    56     1.50661   111.46083   167.47806
   65    64 S   HC   _H29    57     1.08960   114.06401   -77.31765
   66    61 S   CO4  _C15    68     1.36220   117.50601   -87.29133
   67    66 S   O    _O22    69     1.22292   126.57157     0.16669
   68    64 S   CM   _C14    58     1.34663   127.77048   103.39573
   69    66 S   CT   _C19    70     1.49837   109.36287  -179.86294
   70    69 S   HC   _H37    71     1.09290   109.81020   -61.62009
   71    69 S   HC   _H38    72     1.09376   109.37247   179.28701
   72    69 S   HC   _H39    73     1.09301   109.81856    60.26494
   73    68 S   CT   _C17    59     1.50559   120.46565   178.82314
   74    73 S   HC   _H31    60     1.09496   110.27503   119.20327
   75    73 S   HC   _H32    61     1.09497   110.21000  -120.97798
   76    73 S   HC   _H33    62     1.09511   112.41159    -0.92111
   77    68 S   CT   _C18    63     1.50278   125.14809    -1.95545
   78    77 S   HC   _H34    64     1.09485   110.08812   115.62003
   79    77 S   HC   _H35    65     1.09209   113.58172    -5.38998
   80    77 S   HC   _H36    66     1.09542   110.01863  -125.07549
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3  11  10  15   4   1  14   6
   8   3  12   6   3   2   1   1   2   9   5   4   7   1   1  10
   3   5   4   8   3   2   1   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    57    45    46  
   40    41    42    45  
   41    42    43    44    49    57    62    45  
   42    43    57  
   43    44    47    49    50    57    62    63    48    45    46  
   44    47    49    57    62    51    48    53    45    46  
   47    49    50    57    51    52    58    61    48    53    54    55    56    45    46  
   46    47    48    57  
    0  
   49    50    57    62    51    52    58    59    60    64    61    66    48    53  
   53    54    55    56    49    51  
   50    57    62    63    51    52    58    61  
   57    62    51  
   52    58    59    60    64    65    68    61    66    67    69    57  
   58    59    60    64    61    66  
   54    55    56  
   55    56  
   56  
    0  
   62    63  
   59    60    64    65    68    73    77    61    66  
   60    64    65    68    61  
   64    65    68    61  
   66    67    69    70    71    72    64  
   63  
    0  
   65    68    73    74    75    76    77    78    79    80  
   68    73    77  
   67    69    70    71    72  
   69    70    71    72  
   73    74    75    76    77    78    79    80  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   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   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    57   469.000  1.400
   43    44   469.000  1.400
   43    45   310.000  1.470
   44    47   469.000  1.400
   44    48   450.000  1.364
   47    49   469.000  1.400
   47    51   317.000  1.510
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    62   450.000  1.364
   62    63   553.000  0.945
   51    52   340.000  1.090
   51    58   268.000  1.529
   51    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    73   317.000  1.510
   68    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   61    66   214.000  1.327
   66    67   570.000  1.229
   66    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  115.47100
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    57    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    45    60.00000  119.52600
   42    57    49    63.00000  120.00000
   42    57    62    70.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    48    70.00000  120.00000
   43    45    46    75.00000  123.78400
   44    47    49    63.00000  120.00000
   44    47    51    70.00000  120.00000
   44    48    53    75.00000  111.00000
   47    49    50    35.00000  120.00000
   47    49    57    63.00000  120.00000
   47    51    52    35.00000  109.50000
   47    51    58    70.00000  112.17500
   47    51    61    85.00000  111.85700
   49    57    62    70.00000  120.00000
   57    42    43    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    62    63    35.00000  113.00000
   51    47    49    70.00000  120.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    70.00000  112.02700
   51    61    66    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    68    70.00000  124.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    73    70.00000  124.00000
   64    68    77    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   68    77    78    35.00000  109.50000
   68    77    79    35.00000  109.50000
   68    77    80    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
   77    68    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   61    51    52    35.00000  109.50000
   61    51    58    50.00000  109.50000
   61    66    67    83.00000  123.40000
   61    66    69    81.00000  111.40000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   69    66    67    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    44    47    70.00000  120.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    33    34    35.00000  109.50000
   45    33    38    70.00000  109.06800
   45    43    44    60.00000  119.52600
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    57   0.15800  1.0 1.0
   38    40    42    57   1.85350 -1.0 2.0
   38    40    42    57  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    57    49   3.62500 -1.0 2.0
   40    42    57    62   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    57  -0.01750  1.0 1.0
   41    40    42    57  -0.32000 -1.0 2.0
   41    40    42    57   0.00600  1.0 3.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -45    33   2.26350  1.0 1.0
   42    43   -45    33   0.76750 -1.0 2.0
   42    43   -45    33   0.22500  1.0 3.0
   42    43    45    46   1.05000 -1.0 2.0
   42    57    62    63   0.84100 -1.0 2.0
   43    42    57    49   3.62500 -1.0 2.0
   43    42    57    62   3.62500 -1.0 2.0
   43    44   -47    49   3.62500 -1.0 2.0
   43    44    47    51   3.62500 -1.0 2.0
   43    44    48    53   1.63200 -1.0 2.0
   44    43    45    33   2.26350  1.0 1.0
   44    43    45    33   0.76750 -1.0 2.0
   44    43    45    33   0.22500  1.0 3.0
   44    43    45    46   1.05000 -1.0 2.0
   44    47    49    50   3.62500 -1.0 2.0
   44    47    49    57   3.62500 -1.0 2.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    58   0.04150 -1.0 2.0
   44    47    51    61   0.64500  1.0 1.0
   44    47    51    61   0.14800 -1.0 2.0
   44    47    51    61   0.20650  1.0 3.0
   44    48    53    54   0.08050  1.0 3.0
   44    48    53    55   0.08050  1.0 3.0
   44    48    53    56   0.08050  1.0 3.0
   47    44    48    53   1.63200 -1.0 2.0
   47    49   -57    42   3.62500 -1.0 2.0
   47    49    57    62   3.62500 -1.0 2.0
   47    51    58    59   0.43200  1.0 3.0
   47    51    58    60   0.43200  1.0 3.0
   47    51    58    64   0.21200  1.0 1.0
   47    51    58    64   0.16900 -1.0 2.0
   47    51    58    64  -1.15100  1.0 3.0
   47    51    61    66  -0.43900 -1.0 2.0
   47    51    61    66   0.14100  1.0 3.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    58   0.04150 -1.0 2.0
   49    47    51    61   0.64500  1.0 1.0
   49    47    51    61   0.14800 -1.0 2.0
   49    47    51    61   0.20650  1.0 3.0
   49    57    62    63   0.84100 -1.0 2.0
   50    49    57    42   3.62500 -1.0 2.0
   50    49    57    62   3.62500 -1.0 2.0
   57    42   -43    44   3.62500 -1.0 2.0
   57    42    43    45   3.62500 -1.0 2.0
   51    47    49    50   3.62500 -1.0 2.0
   51    47    49    57   3.62500 -1.0 2.0
   51    58    64    65   0.00000  1.0 1.0
   51    58    64    68   0.09850  1.0 1.0
   51    58    64    68   0.15250 -1.0 2.0
   51    58    64    68  -0.50650  1.0 3.0
   51    61    66    67   3.00000 -1.0 2.0
   51    61    66    69   1.63150  1.0 1.0
   51    61    66    69   2.92000 -1.0 2.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   52    51    61    66   0.08050  1.0 3.0
   58    51    61    66  -0.25900  1.0 1.0
   58    51    61    66  -0.47000 -1.0 2.0
   58    51    61    66   0.11750  1.0 3.0
   58    64    68    73   7.00000 -1.0 2.0
   58    64    68    77   7.00000 -1.0 2.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.33100  1.0 3.0
   60    58    64    68   0.00000  1.0 1.0
   64    68    73    74   0.00000  1.0 1.0
   64    68    73    75   0.00000  1.0 1.0
   64    68    73    76   0.00000  1.0 1.0
   64    68    77    78   0.00000  1.0 1.0
   64    68    77    79   0.00000  1.0 1.0
   64    68    77    80   0.00000  1.0 1.0
   65    64    68    73   7.00000 -1.0 2.0
   65    64    68    77   7.00000 -1.0 2.0
   73    68    77    78   0.34800  1.0 3.0
   73    68    77    79   0.34800  1.0 3.0
   73    68    77    80   0.34800  1.0 3.0
   77    68    73    74   0.34800  1.0 3.0
   77    68    73    75   0.34800  1.0 3.0
   77    68    73    76   0.34800  1.0 3.0
   61    51    58    59   0.23400  1.0 3.0
   61    51    58    60   0.23400  1.0 3.0
   61    51    58    64   0.61850  1.0 1.0
   61    51    58    64  -0.22750 -1.0 2.0
   61    51    58    64   0.15300  1.0 3.0
   61    66    69    70   0.00000  1.0 1.0
   61    66    69    71   0.00000  1.0 1.0
   61    66    69    72   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   48    44    47    49   3.62500 -1.0 2.0
   48    44    47    51   3.62500 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    48   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    57    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   47    48    44    43   4.00000 -1.0 2.0
   49    51    47    44   4.00000 -1.0 2.0
   57    50    49    47   1.10000 -1.0 2.0
   49    62    57    42   4.00000 -1.0 2.0
   58    65    64    68  15.00000 -1.0 2.0
   73    77    68    64  15.00000 -1.0 2.0
   61    69    66    67  10.50000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
