* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    151    239     438
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   102.26368    14.05146
    3     1 S   H    _H1_     3     1.02070    40.27706   118.65175
    4     1 S   H    _H2_     4     1.02084    73.79082   -92.07429
    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   _C26    36     1.81433    98.59451  -178.23986
   34    33 S   HC   _H19    37     1.09530   109.19900   -59.95120
   35    33 S   HC   _H20    38     1.09500   107.33131  -177.56780
   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   OS   _O33    39     1.42497   112.04845    62.40225
   40    39 S   CT   _C16    40     1.42197   111.65830   158.19989
   41    40 S   CA   _C20    41     1.53687   109.92485   160.04469
   42    40 S   CT   _C17    52     1.56383   107.01291    39.85225
   43    42 S   HC   _H12    53     1.09802   110.17395   -40.21762
   44    42 S   HC   _H13    54     1.09767   110.03249  -156.28745
   45    40 S   CT   _C5_    62     1.58082   108.07984   -79.10453
   46    45 S   HC   _H3_    63     1.09965   107.37330   179.54889
   47    41 S   CA   _C21    42     1.39420   119.90540     2.00818
   48    47 S   HA   _H16    43     1.08737   120.53360    -0.02798
   49    42 S   NA   _N6_    55     1.51682   115.48744    80.15401
   50    45 S   CRA  _C6_    64     1.52948   113.65646    61.58924
   51    45 S   CT   _C4_    82     1.53962   113.81644   -64.46253
   52    51 S   HC   _H4_    83     1.09687   110.53613    62.76625
   53    51 S   HC   _H5_    84     1.09387   111.33395   -55.85079
   54    51 S   HC   _H6_    85     1.09465   112.61692  -177.34886
   55    47 S   CA   _C22    44     1.39505   120.04742  -179.97202
   56    55 S   HA   _H17    45     1.08608   120.06604   179.98022
   57    49 S   CRA  _C18    56     1.37319   129.83733   102.50004
   58    57 S   HA   _H14    57     1.07581   119.60889    -0.05595
   59    50 S   N5B  _N4_    65     1.31495   124.51127   -91.78232
   60    55 S   CA   _C23    46     1.39537   119.94961    -0.00000
   61    60 S   F    F2__    47     1.33975   119.94769   180.00000
   62    57 S   N5B  _N7_    58     1.43968   109.97185  -179.92087
   63    59 S   C5B  _C7_    66     1.38070   108.87905   179.97202
   64    60 S   CA   _C24    48     1.39420   120.00291     0.00000
   65    64 S   HA   _H18    49     1.08665   120.01145  -179.97202
   66    62 S   CRB  _C19    59     1.48208    96.87729    -0.06256
   67    66 S   HA   _H15    60     1.08137   120.59216  -179.98022
   68    63 S   C5A  _C8_    67     1.37893   115.93257     0.02798
   69    68 S   HA   _H7_    68     1.08122   129.16596   179.93439
   70    63 S   CA   _C9_    70     1.43502   121.57851   179.97202
   71    41 S   CA   _C25    50     1.39555   120.12841  -177.94729
   72    71 S   F    F1__    51     1.34040   120.40632    -0.05935
   73    49 S   N5A  _N8_    61     1.38345   117.61444   -77.44465
   74    50 S   SA   _S1_    69     1.71636   119.08885    88.17647
   75    70 S   CA   _C10    71     1.39500   119.93645   149.99924
   76    75 S   HA   _H8_    72     1.08738   120.89232    -0.00000
   77    75 S   CA   _C11    73     1.39518   119.94775   180.00000
   78    77 S   HA   _H9_    74     1.08830   119.08441  -179.96044
   79    77 S   CA   _C12    75     1.39456   120.03947     0.06853
   80    79 S   CA   _C13    76     1.39482   119.97748    -0.00000
   81    80 S   HA   _H10    77     1.08714   120.84279   180.00000
   82    79 S   CZ   _C15    80     1.42872   120.00416   179.89913
   83    82 S   NZ   _N5_    81     1.16081   179.96044  -135.94271
   84    70 S   CA   _C14    78     1.39456   120.05083   -29.93845
   85    84 S   HA   _H11    79     1.08794   120.87279     0.07662
  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   5   5   4   3
   7   3   2   2   1   1  12  22  17  14   5   4  13   7   8   4
   6  10   5   2   1   1   6   3   5   3   7   5   3   3  10   3
   2   2   1   5   2  10   1   1   1   1   8   4   7   3   6   5
   3   2   1   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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    47    71    42    43    44    49    45    46    50    51  
   41    47    48    55    64    71    72    42    43    44    49    57    73    45    46    50    59    74    51    52    53    54  
   47    48    55    56    60    64    65    71    72    42    43    44    49    45    46    50    51  
   43    44    49    57    58    62    66    73    45    46    50    51    47    71  
   44    49    57    73    45  
   49    57    73    45  
   46    50    59    63    68    74    51    52    53    54    47    49    71  
   50    59    74    51    52    53    54  
   48    55    56    60    61    64    71    72  
   55    56    60    71  
   57    58    62    66    67    73  
   59    63    68    69    74    70    51    52    53    54  
   52    53    54    59    74  
   53    54  
   54  
    0  
   56    60    61    64    65    71  
   60    61    64  
   58    62    66    67    73  
   62    66    73  
   63    68    69    74    70    75    84  
   61    64    65    71    72  
   64    65    71  
   66    67    73  
   68    69    74    70    75    76    77    80    84    85  
   65    71    72  
   71    72  
   67    73  
   73  
   69    74    70    75    84  
   74    70  
   75    76    77    78    79    80    81    84    85    74  
   72  
    0  
    0  
    0  
   76    77    78    79    80    84    85    82  
   77    78    79    84  
   78    79    80    81    84    82    83  
   79    80    82  
   80    81    84    85    82    83  
   81    84    85    82    83  
   84    85    82  
   83    84  
    0  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.288900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5000   0.0660   0.241800   2.4950   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700   0.065600   1.8000   1.6000   0.001000000  -0.511443539
   50   3.5500   0.0700   0.185900   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.180000   2.4950   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.277800   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.114600   1.3810   1.2100   0.030040813   0.268726247
   59   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   60   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   62   3.2800   0.1700  -0.632900   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.528100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.052500   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   73   3.2800   0.1700  -0.528200   1.8000   1.6000   0.001000000  -0.511443539
   74   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.035000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.6500   0.1500   0.395000   1.8100   1.6000   0.025318638  -1.264311570
   83   3.2800   0.1700  -0.430000   2.2500   2.0000   0.024786691  -1.117108600
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   340.000  1.090
   33    35   340.000  1.090
   33    39   320.000  1.410
   39    40   320.000  1.410
   40    41   317.000  1.510
   40    42   268.000  1.529
   40    45   268.000  1.529
   41    47   469.000  1.400
   41    71   469.000  1.400
   47    48   367.000  1.080
   47    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   420.000  1.354
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    72   420.000  1.354
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   320.000  1.443
   49    57   477.000  1.343
   49    73   400.000  1.349
   57    58   367.000  1.080
   57    62   488.000  1.335
   62    66   470.000  1.361
   66    67   395.000  1.080
   66    73   550.000  1.323
   45    46   340.000  1.090
   45    50   295.000  1.488
   45    51   268.000  1.529
   50    59   488.000  1.335
   50    74   250.000  1.765
   59    63   410.000  1.394
   63    68   520.000  1.370
   63    70   330.000  1.454
   68    69   367.000  1.080
   68    74   265.000  1.745
   70    75   469.000  1.400
   70    84   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    82   400.000  1.451
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    85   367.000  1.080
   82    83   650.000  1.157
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    85.00000  114.68000
   33    39    40    60.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    85.00000  111.85700
   39    40    42    50.00000  109.50000
   39    40    45    50.00000  109.50000
   40    41    47    70.00000  120.00000
   40    41    71    70.00000  120.00000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    49    75.00000  111.19500
   40    45    46    37.50000  110.70000
   40    45    50    70.00000  112.56400
   40    45    51    58.35000  112.70000
   41    47    48    35.00000  120.00000
   41    47    55    63.00000  120.00000
   41    71    64    63.00000  120.00000
   41    71    72    80.00000  120.00000
   47    55    56    35.00000  120.00000
   47    55    60    63.00000  120.00000
   55    47    48    35.00000  120.00000
   55    60    61    80.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    71    63.00000  120.00000
   64    60    61    80.00000  120.00000
   64    71    72    80.00000  120.00000
   71    41    47    63.00000  120.00000
   71    64    65    35.00000  120.00000
   42    40    41    70.00000  112.17500
   42    49    57    60.00000  127.66100
   42    49    73    75.00000  118.68000
   44    42    43    33.00000  107.80000
   49    42    43    50.00000  108.61900
   49    42    44    50.00000  108.61900
   49    57    58    35.00000  120.00000
   49    57    62    70.00000  120.00000
   49    73    66   115.00000  101.71600
   57    62    66   105.00000  102.26600
   62    57    58    35.00000  120.00000
   62    66    67    40.00000  123.47600
   62    66    73    85.00000  115.28900
   73    49    57    95.00000  110.06400
   73    66    67    45.00000  122.26300
   45    40    41    70.00000  112.17500
   45    40    42    58.35000  112.70000
   45    50    59    65.00000  125.57700
   45    50    74    65.00000  125.49400
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   50    45    46    45.00000  109.19200
   50    59    63    70.00000  110.00000
   50    74    68   120.00000   89.04400
   59    63    68    70.00000  111.00000
   59    63    70    70.00000  121.90000
   63    68    69    35.00000  130.70000
   63    68    74    80.00000  111.29200
   63    70    75    65.00000  120.49500
   63    70    84    65.00000  120.49500
   74    50    59    80.00000  114.57700
   74    68    69    40.00000  122.38200
   70    63    68    55.00000  131.00000
   70    75    76    35.00000  120.00000
   70    75    77    63.00000  120.00000
   70    84    80    63.00000  120.00000
   70    84    85    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    82    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    84    63.00000  120.00000
   79    82    83   150.00000  180.00000
   80    84    85    35.00000  120.00000
   84    70    75    63.00000  120.00000
   84    80    81    35.00000  120.00000
   82    79    80    70.00000  120.00000
   51    45    46    37.50000  110.70000
   51    45    50    70.00000  112.56400
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.14700  1.0 1.0
   29    33    39    40  -1.16150 -1.0 2.0
   29    33    39    40   0.48700  1.0 3.0
   33    39    40    41   0.37500  1.0 3.0
   33    39    40    42   0.06250  1.0 1.0
   33    39    40    42  -0.01100 -1.0 2.0
   33    39    40    42   0.28050  1.0 3.0
   33    39    40    45   0.06250  1.0 1.0
   33    39    40    45  -0.01100 -1.0 2.0
   33    39    40    45   0.28050  1.0 3.0
   34    33    39    40   0.37050  1.0 3.0
   35    33    39    40   0.37050  1.0 3.0
   39    40    41    47   0.64500  1.0 1.0
   39    40    41    47   0.14800 -1.0 2.0
   39    40    41    47   0.20650  1.0 3.0
   39    40    41    71   0.64500  1.0 1.0
   39    40    41    71   0.14800 -1.0 2.0
   39    40    41    71   0.20650  1.0 3.0
   39    40    42    43   0.23400  1.0 3.0
   39    40    42    44   0.23400  1.0 3.0
   39    40    42    49  -0.86350  1.0 1.0
   39    40    42    49   0.04750 -1.0 2.0
   39    40    45    46   0.23400  1.0 3.0
   39    40    45    50  -0.64350  1.0 1.0
   39    40    45    50  -0.04200 -1.0 2.0
   39    40    45    50   0.19800  1.0 3.0
   39    40    45    51   0.62750  1.0 1.0
   39    40    45    51  -0.30950 -1.0 2.0
   39    40    45    51   0.27300  1.0 3.0
   40    41    47    48   3.62500 -1.0 2.0
   40    41    47    55   3.62500 -1.0 2.0
   40    41    71    64   3.62500 -1.0 2.0
   40    41    71    72   3.62500 -1.0 2.0
   40    42    49    57   1.10250  1.0 1.0
   40    42    49    57   0.01650 -1.0 2.0
   40    42    49    57   0.39100  1.0 3.0
   40    42    49    73   0.68100  1.0 1.0
   40    42    49    73   0.03350 -1.0 2.0
   40    42    49    73   0.36200  1.0 3.0
   40    45    50    59   0.29300  1.0 1.0
   40    45    50    59  -1.19700 -1.0 2.0
   40    45    50    59   0.60900  1.0 3.0
   40    45    50    74  -1.00500  1.0 1.0
   40    45    50    74  -0.91300 -1.0 2.0
   40    45    50    74   0.11400  1.0 3.0
   40    45    51    52   0.15000  1.0 3.0
   40    45    51    53   0.15000  1.0 3.0
   40    45    51    54   0.15000  1.0 3.0
   41    40    42    43   0.43200  1.0 3.0
   41    40    42    44   0.43200  1.0 3.0
   41    40    42    49   0.56750  1.0 1.0
   41    40    42    49  -0.07550 -1.0 2.0
   41    40    42    49   0.20000  1.0 3.0
   41    40    45    46   0.43200  1.0 3.0
   41    40    45    50  -0.94300  1.0 1.0
   41    40    45    50   1.32550 -1.0 2.0
   41    40    45    50  -0.07100  1.0 3.0
   41    40    45    51  -0.03700  1.0 1.0
   41    40    45    51   0.37200 -1.0 2.0
   41    40    45    51  -0.47300  1.0 3.0
   41    47    55    56   3.62500 -1.0 2.0
   41    47    55    60   3.62500 -1.0 2.0
   47    41    71    64   3.62500 -1.0 2.0
   47    41    71    72   3.62500 -1.0 2.0
   47    55    60    61   3.62500 -1.0 2.0
   47    55   -60    64   3.62500 -1.0 2.0
   48    47    55    56   3.62500 -1.0 2.0
   48    47    55    60   3.62500 -1.0 2.0
   55    60    64    65   3.62500 -1.0 2.0
   55    60    64    71   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64   -71    41   3.62500 -1.0 2.0
   60    64    71    72   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    71   3.62500 -1.0 2.0
   65    64    71    41   3.62500 -1.0 2.0
   65    64    71    72   3.62500 -1.0 2.0
   71    41    47    48   3.62500 -1.0 2.0
   71    41   -47    55   3.62500 -1.0 2.0
   42    40    41    47   0.04150 -1.0 2.0
   42    40    41    71   0.04150 -1.0 2.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    50  -0.03700  1.0 1.0
   42    40    45    50   0.37200 -1.0 2.0
   42    40    45    50  -0.47300  1.0 3.0
   42    40    45    51   0.56750  1.0 1.0
   42    40    45    51  -0.07550 -1.0 2.0
   42    40    45    51   0.20000  1.0 3.0
   42    49    57    58   3.62500 -1.0 2.0
   42    49    57    62   3.62500 -1.0 2.0
   42    49    73    66   3.62500 -1.0 2.0
   43    42    49    57   0.00000  1.0 1.0
   43    42    49    73   0.00000  1.0 1.0
   44    42    49    57   0.00000  1.0 1.0
   44    42    49    73   0.00000  1.0 1.0
   49    57   -62    66   3.62500 -1.0 2.0
   57    49   -73    66   3.62500 -1.0 2.0
   57    62    66    67   3.62500 -1.0 2.0
   57    62   -66    73   3.62500 -1.0 2.0
   58    57    62    66   3.62500 -1.0 2.0
   62    66   -73    49   3.62500 -1.0 2.0
   67    66    73    49   3.62500 -1.0 2.0
   73    49    57    58   3.62500 -1.0 2.0
   73    49   -57    62   3.62500 -1.0 2.0
   45    40    41    47   0.04150 -1.0 2.0
   45    40    41    71   0.04150 -1.0 2.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    49  -0.64600  1.0 1.0
   45    40    42    49   0.58400 -1.0 2.0
   45    50    59    63   3.62500 -1.0 2.0
   45    50    74    68   3.62500 -1.0 2.0
   46    45    50    59   0.00000  1.0 1.0
   46    45    50    74   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   50    45    51    52   0.43200  1.0 3.0
   50    45    51    53   0.43200  1.0 3.0
   50    45    51    54   0.43200  1.0 3.0
   50    59   -63    68   2.40000 -1.0 2.0
   50    59    63    70   3.62500 -1.0 2.0
   59    50   -74    68   3.62500 -1.0 2.0
   59    63    68    69   3.62500 -1.0 2.0
   59    63   -68    74   3.62500 -1.0 2.0
   59    63    70    75   0.04300  1.0 1.0
   59    63    70    75   0.58850 -1.0 2.0
   59    63    70    75   0.22750  1.0 3.0
   59    63    70    84   0.04300  1.0 1.0
   59    63    70    84   0.58850 -1.0 2.0
   59    63    70    84   0.22750  1.0 3.0
   63    68   -74    50   3.62500 -1.0 2.0
   63    70    75    76   3.62500 -1.0 2.0
   63    70    75    77   3.62500 -1.0 2.0
   63    70    84    80   3.62500 -1.0 2.0
   63    70    84    85   3.62500 -1.0 2.0
   68    63    70    75  -0.19450  1.0 1.0
   68    63    70    75   0.63300 -1.0 2.0
   68    63    70    75   0.07450  1.0 3.0
   68    63    70    84  -0.19450  1.0 1.0
   68    63    70    84   0.63300 -1.0 2.0
   68    63    70    84   0.07450  1.0 3.0
   69    68    74    50   3.62500 -1.0 2.0
   74    50   -59    63   3.62500 -1.0 2.0
   70    63    68    69   3.62500 -1.0 2.0
   70    63    68    74   3.62500 -1.0 2.0
   70    75    77    78   3.62500 -1.0 2.0
   70    75    77    79   3.62500 -1.0 2.0
   75    70    84    80   3.62500 -1.0 2.0
   75    70    84    85   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   75    77    79    82   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   77    79    80    84   3.62500 -1.0 2.0
   77    79    82    83   0.00000  1.0 1.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    82   3.62500 -1.0 2.0
   79    80   -84    70   3.62500 -1.0 2.0
   79    80    84    85   3.62500 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   81    80    84    70   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   84    70    75    76   3.62500 -1.0 2.0
   84    70   -75    77   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    84   3.62500 -1.0 2.0
   51    45    50    59   0.29300  1.0 1.0
   51    45    50    59  -1.19700 -1.0 2.0
   51    45    50    59   0.60900  1.0 3.0
   51    45    50    74  -1.00500  1.0 1.0
   51    45    50    74  -0.91300 -1.0 2.0
   51    45    50    74   0.11400  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
   47    71    41    40   4.00000 -1.0 2.0
   55    48    47    41   1.10000 -1.0 2.0
   60    56    55    47   1.10000 -1.0 2.0
   64    61    60    55   4.00000 -1.0 2.0
   71    65    64    60   1.10000 -1.0 2.0
   64    72    71    41   4.00000 -1.0 2.0
   57    73    49    42   4.00000 -1.0 2.0
   62    58    57    49   1.10000 -1.0 2.0
   73    67    66    62   1.10000 -1.0 2.0
   59    74    50    45   4.00000 -1.0 2.0
   68    70    63    59   4.00000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   75    84    70    63   4.00000 -1.0 2.0
   77    76    75    70   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   82    80    79    77   4.00000 -1.0 2.0
   84    81    80    79   1.10000 -1.0 2.0
   80    85    84    70   1.10000 -1.0 2.0
END
