* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    145    230     416
    1     0 S   NP   _N1_     1    28.87819    96.02404   -20.71786
    2     1 S   H    _HN1     2     1.02843    39.52765   156.74174
    3     1 S   H    _H1_     3     1.02772    83.24455   -74.18803
    4     1 S   H    _H2_     4     1.02967    86.67620    34.74912
    5     1 S   CT   _CA1     5     1.50105   150.17896   161.65461
    6     5 S   HC   _HA1     6     1.09556   105.33033    55.94596
    7     5 S   CO3  _C1_     7     1.53803   112.29599   -64.56604
    8     7 S   O2Z  _O11     8     1.26357   114.91932   -42.67900
    9     7 S   O2Z  _O12     9     1.26221   114.97543   136.76703
   10     5 S   CT   _CB1    10     1.53112   107.49640   174.20701
   11    10 S   HC   HB11    11     1.09821   109.59894   -48.21408
   12    10 S   HC   HB12    12     1.09833   110.29597    68.39731
   13    10 S   CT   _CG1    13     1.53042   112.66661  -169.25603
   14    13 S   HC   HG11    14     1.09483   110.62742   -57.57173
   15    13 S   HC   HG12    15     1.09635   110.05578    61.42674
   16    13 S   C    _CD1    16     1.51808   112.05748  -178.55544
   17    16 S   O    _OE1    17     1.22741   123.11369   -13.75004
   18    16 S   N    _N2_    18     1.38590   111.81841   167.32129
   19    18 S   H    _HN2    19     1.01591   119.06038     0.33920
   20    18 S   CT1  _CA2    20     1.46175   123.36315   179.09908
   21    20 S   HC   _HA2    21     1.09739   109.39422   -10.68981
   22    20 S   C    _C2_    22     1.53471   108.10089  -126.16200
   23    22 S   O    _O2_    23     1.23011   122.29518  -144.74542
   24    20 S   CT   _CB2    32     1.53402   111.73194   111.51244
   25    24 S   HC   HB21    33     1.09643   110.03150    55.11948
   26    24 S   HC   HB22    34     1.09520   109.85450   173.53680
   27    22 S   N    _N3_    24     1.38526   113.36549    42.55040
   28    27 S   H    _HN3    25     1.01517   118.95223    -0.44762
   29    24 S   S    _SG2    35     1.82540   111.96646   -66.45110
   30    27 S   CT   _CA3    26     1.45446   123.39360   175.10247
   31    30 S   HC   HA31    27     1.09527   109.18865    25.49421
   32    30 S   HC   HA32    28     1.09494   107.13747   142.49907
   33    29 S   CM   _C24    36     1.73408   100.74460   169.75468
   34    33 S   Cl   Cl1_    37     1.73679   118.09066    58.83743
   35    30 S   CO3  _C3_    29     1.52929   113.13797   -97.94285
   36    35 S   O2Z  _O31    30     1.26401   115.41894   -44.04750
   37    35 S   O2Z  _O32    31     1.26356   114.97165   136.88341
   38    33 S   CM   _C23    38     1.34443   122.99641  -123.82441
   39    38 S   HC   _H17    39     1.08960   117.39870  -178.15083
   40    38 S   C3T  _C6_    40     1.47291   128.05373     0.50202
   41    40 S   HC   _H3_    41     1.08716   112.90690   -65.54508
   42    40 S   C3T  _C7_    42     1.51652   118.58259   152.72549
   43    42 S   HC   _H4_    43     1.08726   116.99573    -5.29824
   44    40 S   C3T  _C5_    44     1.51797   121.54291    82.06967
   45    42 S   CO4  _C8_    53     1.48036   120.28906   138.04925
   46    45 S   O    _O33    54     1.22233   122.48819   -27.29690
   47    44 S   CT   _C4_    45     1.50927   116.49033  -142.13456
   48    47 S   HC   _H6_    46     1.09462   110.43771  -154.60039
   49    47 S   HC   _H7_    47     1.09363   109.84301    85.90869
   50    47 S   HC   _H8_    48     1.09491   112.70398   -33.66735
   51    44 S   CT   _C25    49     1.50948   120.96096     2.04344
   52    51 S   HC   _H18    50     1.09534   110.01359   156.20880
   53    51 S   HC   _H19    51     1.09483   112.69680    36.42768
   54    51 S   HC   _H20    52     1.09462   110.44473   -84.62597
   55    45 S   OS   _O34    55     1.36090   110.63571   152.77507
   56    55 S   CT   _C9_    56     1.44367   117.06590  -177.78115
   57    56 S   HC   _H5_    57     1.09770   109.40602   -32.26831
   58    56 S   CZ   _C10    58     1.47422   108.86619  -149.36730
   59    58 S   NZ   _N4_    59     1.16078   179.73020    93.66367
   60    56 S   CA   _C11    60     1.51540   109.22286    88.55486
   61    60 S   CA   _C12    61     1.40396   120.09607  -124.35447
   62    61 S   HA   _H9_    62     1.08754   120.45844     0.06853
   63    61 S   CA   _C13    63     1.39546   120.60417   179.48376
   64    63 S   HA   _H10    64     1.08556   120.26262  -179.38770
   65    63 S   CA   _C14    65     1.39054   119.65385     0.54680
   66    65 S   F    F1__    66     1.34112   119.16030  -180.00000
   67    65 S   CA   _C15    67     1.39206   120.77460     0.55107
   68    60 S   CA   _C16    68     1.40628   120.96589    55.38137
   69    68 S   HA   _H11    69     1.08771   119.57845    -1.35205
   70    67 S   OS   _O35    70     1.37628   117.41853  -178.65244
   71    70 S   CA   _C17    71     1.37660   117.10190  -137.39298
   72    71 S   CA   _C18    72     1.39826   122.27331    52.43570
   73    72 S   HA   _H12    73     1.08618   120.98946    -1.30851
   74    72 S   CA   _C19    74     1.39493   119.62743   178.34448
   75    74 S   HA   _H13    75     1.08629   119.95396   179.57896
   76    74 S   CA   _C20    76     1.39539   120.09563    -0.76156
   77    76 S   HA   _H14    77     1.08630   119.95254  -179.91607
   78    76 S   CA   _C21    78     1.39523   120.09920    -0.35110
   79    78 S   HA   _H15    79     1.08624   120.00556  -179.46551
   80    71 S   CA   _C22    80     1.39574   117.29234  -130.99261
   81    80 S   HA   _H16    81     1.08639   120.43892     1.93775
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1   9   4  15   6  14   6  11   8   2   7   3
   2   1   3   2   1   1   7  10   5   4   1   9   8   4   6   3
   6   3   6   3   1   7   9   8   4   6   3   5   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    51    45  
   40    41    42    44  
   41    42    43    44    47    48    49    50    51    52    53    54    45    46    55  
   42    43    44    47    51    45  
   43    44    47    48    49    50    51    52    53    54    45    46    55    56  
   44    47    51    45    46    55  
   47    48    49    50    51    52    53    54    45    46    55  
   46    55    56    57    58    60    47    51  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    68  
   57    58    59    60    61    62    63    67    68    69  
   58    59    60    61    68  
   59    60    61    68  
   60  
   61    62    63    64    65    67    68    69    70  
   62    63    64    65    66    67    68    69  
   63    64    65    68  
   64    65    66    67    68    70  
   65    66    67  
   66    67    68    69    70    71  
   67    68    70  
   68    69    70    71    72    80  
   69    70    71  
   70  
   71    72    73    74    78    80    81  
   72    73    74    75    76    78    79    80    81  
   73    74    75    76    77    78    80    81  
   74    75    76    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   59   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   60   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   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    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   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   305.000  1.480
   40    41   340.000  1.088
   40    42   260.000  1.509
   40    44   260.000  1.509
   42    43   340.000  1.088
   42    44   260.000  1.509
   42    45   290.000  1.496
   44    47   275.000  1.510
   44    51   275.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   570.000  1.229
   45    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   390.000  1.470
   56    60   317.000  1.510
   58    59   650.000  1.157
   60    61   469.000  1.400
   60    68   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   420.000  1.354
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    70   450.000  1.364
   68    69   367.000  1.080
   70    71   450.000  1.364
   71    72   469.000  1.400
   71    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    55.00000  125.06700
   38    33    34    75.00000  121.50000
   38    40    41    40.00000  112.45000
   38    40    42    60.00000  120.58800
   38    40    44    60.00000  120.58800
   40    38    39    40.00000  117.24000
   40    42    43    37.50000  117.20000
   40    42    44    10.00000   60.00500
   40    42    45    65.00000  117.18000
   40    44    42    10.00000   60.00500
   40    44    47    60.00000  120.94000
   40    44    51    60.00000  120.94000
   42    40    41    37.50000  117.20000
   42    44    47    60.00000  120.94000
   42    44    51    60.00000  120.94000
   42    45    46    75.00000  121.36600
   42    45    55    81.00000  111.40000
   44    40    41    37.50000  117.20000
   44    40    42    10.00000   60.00500
   44    42    43    37.50000  117.20000
   44    47    48    45.00000  109.38400
   44    47    49    45.00000  109.38400
   44    47    50    45.00000  109.38400
   44    51    52    45.00000  109.38400
   44    51    53    45.00000  109.38400
   44    51    54    45.00000  109.38400
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    42    43    40.00000  116.18000
   45    42    44    65.00000  117.18000
   45    55    56    83.00000  116.90000
   55    45    46    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  109.17800
   55    56    60    85.00000  111.85700
   56    58    59   150.00000  180.00000
   56    60    61    70.00000  120.00000
   56    60    68    70.00000  120.00000
   58    56    57    35.00000  108.50000
   60    56    57    35.00000  109.50000
   60    56    58    70.00000  111.71400
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    68    67    63.00000  120.00000
   60    68    69    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    80.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    70    70.00000  120.00000
   67    65    66    80.00000  120.00000
   67    68    69    35.00000  120.00000
   67    70    71    85.00000  114.70000
   68    60    61    63.00000  120.00000
   70    67    68    70.00000  120.00000
   70    71    72    70.00000  120.00000
   70    71    80    70.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    80    78    63.00000  120.00000
   71    80    81    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   80    71    72    63.00000  120.00000
   80    78    79    35.00000  120.00000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40   -42    44   0.34400  1.0 1.0
   38    40   -42    44   0.09450 -1.0 2.0
   38    40   -42    44   0.11100  1.0 3.0
   38    40    42    45  -0.98800  1.0 1.0
   38    40    42    45   0.48800 -1.0 2.0
   38    40    42    45   0.76800  1.0 3.0
   38    40   -44    42   0.34400  1.0 1.0
   38    40   -44    42   0.09450 -1.0 2.0
   38    40   -44    42   0.11100  1.0 3.0
   38    40    44    47   0.34400  1.0 1.0
   38    40    44    47   0.09450 -1.0 2.0
   38    40    44    47   0.11100  1.0 3.0
   38    40    44    51   0.34400  1.0 1.0
   38    40    44    51   0.09450 -1.0 2.0
   38    40    44    51   0.11100  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   40    42   -44    47   0.07850  1.0 1.0
   40    42   -44    47  -0.03950 -1.0 2.0
   40    42   -44    47   0.67350  1.0 3.0
   40    42   -44    51   0.07850  1.0 1.0
   40    42   -44    51  -0.03950 -1.0 2.0
   40    42   -44    51   0.67350  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    55   0.36750  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    50   0.15000  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    54   0.15000  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40   -42    44   0.15000  1.0 3.0
   41    40    42    45   0.15000  1.0 3.0
   41    40   -44    42   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40   -44    47   0.07850  1.0 1.0
   42    40   -44    47  -0.03950 -1.0 2.0
   42    40   -44    47   0.67350  1.0 3.0
   42    40   -44    51   0.07850  1.0 1.0
   42    40   -44    51  -0.03950 -1.0 2.0
   42    40   -44    51   0.67350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   42    44    51    52   0.15000  1.0 3.0
   42    44    51    53   0.15000  1.0 3.0
   42    44    51    54   0.15000  1.0 3.0
   42    45    55    56   1.63150  1.0 1.0
   42    45    55    56   2.92000 -1.0 2.0
   43    42   -44    40   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42    45    46   0.50000  1.0 3.0
   43    42    45    55   0.00000  1.0 1.0
   44    40   -42    43   0.15000  1.0 3.0
   44    40   -42    45  -0.95700  1.0 1.0
   44    40   -42    45  -0.18200 -1.0 2.0
   44    40   -42    45   0.29450  1.0 3.0
   44    42    45    46   0.30150 -1.0 2.0
   44    42    45    55   0.36750  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  1.0 3.0
   45    42   -44    40  -0.95700  1.0 1.0
   45    42   -44    40  -0.18200 -1.0 2.0
   45    42   -44    40   0.29450  1.0 3.0
   45    42    44    47  -0.95700  1.0 1.0
   45    42    44    47  -0.18200 -1.0 2.0
   45    42    44    47   0.29450  1.0 3.0
   45    42    44    51  -0.95700  1.0 1.0
   45    42    44    51  -0.18200 -1.0 2.0
   45    42    44    51   0.29450  1.0 3.0
   45    55    56    57   0.08050  1.0 3.0
   45    55    56    58  -0.24150  1.0 1.0
   45    55    56    58  -0.46200 -1.0 2.0
   45    55    56    58   0.11700  1.0 3.0
   45    55    56    60  -0.43900 -1.0 2.0
   45    55    56    60   0.14100  1.0 3.0
   46    45    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.00000  1.0 1.0
   55    56    60    61   0.64500  1.0 1.0
   55    56    60    61   0.14800 -1.0 2.0
   55    56    60    61   0.20650  1.0 3.0
   55    56    60    68   0.64500  1.0 1.0
   55    56    60    68   0.14800 -1.0 2.0
   55    56    60    68   0.20650  1.0 3.0
   56    60    61    62   3.62500 -1.0 2.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60    68    67   3.62500 -1.0 2.0
   56    60    68    69   3.62500 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    68   0.00000  1.0 1.0
   58    56    60    61   0.04300 -1.0 2.0
   58    56    60    68   0.04300 -1.0 2.0
   60    56    58    59   0.00000  1.0 1.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    68    67   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    70   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -68    60   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    70    71   0.47150 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    70   3.62500 -1.0 2.0
   67    70    71    72   0.47150 -1.0 2.0
   67    70    71    80   0.47150 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67    70    71   0.47150 -1.0 2.0
   70    67    68    60   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71    72    74   3.62500 -1.0 2.0
   70    71    80    78   3.62500 -1.0 2.0
   70    71    80    81   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    80    78   3.62500 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    71   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    71   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    71    72    73   3.62500 -1.0 2.0
   80    71   -72    74   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   61    68    60    56   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   4.00000 -1.0 2.0
   68    70    67    65   4.00000 -1.0 2.0
   67    69    68    60   1.10000 -1.0 2.0
   72    80    71    70   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    71   1.10000 -1.0 2.0
END
