* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    140    217     412
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.80555    98.15944  -158.21451
   34    33 S   HC   _H17    37     1.09512   107.72791   -40.59969
   35    33 S   HC   _H18    38     1.09486   108.68945  -156.89764
   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   CT   _C13    39     1.51995   112.18905    80.00339
   40    39 S   HC   _H15    40     1.09522   112.77451   -59.62242
   41    39 S   HC   _H16    41     1.09396   110.77623   177.92057
   42    39 S   NP   _N4_    42     1.48270   110.35517    60.42633
   43    42 S   H    _H4_    43     1.03481   107.88443   -46.66061
   44    42 S   CT   _C15    44     1.50976   112.63200  -163.29412
   45    44 S   HC   _H19    45     1.09593   106.67889   -44.79299
   46    44 S   HC   _H20    46     1.09466   106.69302  -159.76631
   47    42 S   CT   _C5_    58     1.50867   112.60893    70.00546
   48    47 S   HC   _H3_    59     1.09445   105.68898   -36.65952
   49    44 S   CA   _C16    47     1.50029   113.07398    77.71465
   50    47 S   CT   _C4_    60     1.51995   108.17100    82.29122
   51    50 S   HC   _H5_    61     1.09479   110.59518    64.51616
   52    50 S   HC   _H6_    62     1.09548   111.01269  -175.99518
   53    50 S   HC   _H7_    63     1.09546   111.55177   -55.58275
   54    47 S   CT   _C6_    64     1.52400   108.51383  -155.75050
   55    54 S   HC   _H8_    65     1.09558   110.40786  -179.47103
   56    54 S   HC   _H9_    66     1.09570   111.77037   -58.52819
   57    49 S   CA   _C17    48     1.39499   120.06173   -89.94451
   58    57 S   HA   _H21    49     1.08659   120.47645    -0.05935
   59    54 S   OS   _O33    67     1.42148   109.48732    62.03389
   60    57 S   CA   _C18    50     1.39448   119.99637  -179.98022
   61    60 S   HA   _H22    51     1.08643   119.97493   179.93439
   62    59 S   CA   _C7_    68     1.37123   116.76850  -149.90780
   63    60 S   CA   _C19    52     1.39451   120.04770    -0.08623
   64    63 S   HA   _H23    53     1.08566   120.05280   179.90109
   65    62 S   CA   _C8_    69     1.39411   120.01779   -29.99113
   66    65 S   HA   _H10    70     1.08678   120.35612     0.02798
   67    63 S   CA   _C20    54     1.39596   119.96064     0.07662
   68    67 S   HA   _H24    55     1.08571   119.98836   179.92338
   69    65 S   CA   _C9_    71     1.39477   120.01989   179.87180
   70    69 S   HA   _H11    72     1.08545   120.00933   180.00000
   71    49 S   CA   _C21    56     1.39534   119.94698    90.01457
   72    71 S   HA   _H25    57     1.08647   120.50122     0.02798
   73    69 S   CA   _C10    73     1.39492   119.95789     0.05595
   74    73 S   HA   _H12    74     1.08611   120.01219   179.96044
   75    73 S   CA   _C11    75     1.39493   120.02444    -0.03426
   76    75 S   HA   _H13    76     1.08607   119.94864  -179.93744
   77    62 S   CA   _C12    77     1.39499   119.93415   149.90294
   78    77 S   HA   _H14    78     1.08612   120.36412     0.00000
  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   7   5   4   3
   9   5   4   2   1   1  12   5   4  17   8  13   5   4  11   8
   9   7   3   2   1   6   3   2   8   4   7   6   3   9   5   3
   8   4   3   2   6   3   1   1   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    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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    47  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    47    48    50    54  
   41    42    43    44    47  
   42    43    44    47  
   43    44    45    46    49    57    71    47    48    50    51    52    53    54    55    56    59  
   44    45    46    49    47    48    50    54  
   45    46    49    57    58    60    67    71    72    47    48    50    54  
   46    49    57    71    47  
   49    57    71    47  
   48    50    51    52    53    54    55    56    59    62    49  
   50    51    52    53    54    55    56    59  
   57    58    60    61    63    67    68    71    72  
   51    52    53    54    55    56    59  
   52    53    54  
   53    54  
   54  
   55    56    59    62    65    77  
   56    59    62  
   59    62  
   58    60    61    63    64    67    71    72  
   60    61    63    71  
   62    65    66    69    75    77    78  
   61    63    64    67    68    71  
   63    64    67  
   65    66    69    70    73    75    76    77    78  
   64    67    68    71    72  
   67    68    71  
   66    69    70    73    74    75    77    78  
   69    70    73    77  
   68    71    72  
   71    72  
   70    73    74    75    76    77  
   73    74    75  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   43   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   2.5000   1.7750   0.001000000  -0.843144165
   78   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   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   367.000  1.471
   42    43   434.000  1.010
   42    44   367.000  1.471
   42    47   367.000  1.471
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   317.000  1.510
   49    57   469.000  1.400
   49    71   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    54   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   320.000  1.410
   59    62   450.000  1.364
   62    65   469.000  1.400
   62    77   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   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    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    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    80.00000  111.20000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    35.00000  109.50000
   39    42    44    75.00000  113.01200
   39    42    47    75.00000  113.01200
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    49    75.00000  110.83300
   42    47    48    35.00000  109.50000
   42    47    50    80.00000  111.20000
   42    47    54    80.00000  111.20000
   44    42    43    35.00000  109.50000
   44    49    57    70.00000  120.00000
   44    49    71    70.00000  120.00000
   46    44    45    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
   49    57    58    35.00000  120.00000
   49    57    60    63.00000  120.00000
   49    71    67    63.00000  120.00000
   49    71    72    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    63    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    67    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    71    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    71    72    35.00000  120.00000
   71    49    57    63.00000  120.00000
   71    67    68    35.00000  120.00000
   47    42    43    35.00000  109.50000
   47    42    44    75.00000  113.01200
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    59    50.00000  109.50000
   50    47    48    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    50    58.35000  112.70000
   54    59    62    75.00000  111.00000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    62    65    70.00000  120.00000
   59    62    77    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    63.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    78    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   77    62    65    63.00000  120.00000
   77    75    76    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.17350  1.0 3.0
   33    39    42    44   0.47100  1.0 1.0
   33    39    42    47   0.47100  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.19200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.19200  1.0 3.0
   39    42    44    45   0.15000  1.0 3.0
   39    42    44    46   0.15000  1.0 3.0
   39    42    44    49   0.03550  1.0 1.0
   39    42    44    49   0.09800 -1.0 2.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    50   0.47100  1.0 1.0
   39    42    47    54   0.47100  1.0 1.0
   40    39    42    43   0.13050  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   41    39    42    43   0.13050  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    47   0.15000  1.0 3.0
   42    44    49    57  -0.46400 -1.0 2.0
   42    44    49    71  -0.46400 -1.0 2.0
   42    47    50    51   0.19200  1.0 3.0
   42    47    50    52   0.19200  1.0 3.0
   42    47    50    53   0.19200  1.0 3.0
   42    47    54    55   0.19200  1.0 3.0
   42    47    54    56   0.19200  1.0 3.0
   42    47    54    59   1.69300  1.0 1.0
   42    47    54    59  -0.48450 -1.0 2.0
   43    42    44    45   0.13050  1.0 3.0
   43    42    44    46   0.13050  1.0 3.0
   43    42    44    49   0.17350  1.0 3.0
   43    42    47    48   0.13050  1.0 3.0
   43    42    47    50   0.17350  1.0 3.0
   43    42    47    54   0.17350  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    50   0.47100  1.0 1.0
   44    42    47    54   0.47100  1.0 1.0
   44    49    57    58   3.62500 -1.0 2.0
   44    49    57    60   3.62500 -1.0 2.0
   44    49    71    67   3.62500 -1.0 2.0
   44    49    71    72   3.62500 -1.0 2.0
   45    44    49    57   0.00000  1.0 1.0
   45    44    49    71   0.00000  1.0 1.0
   46    44    49    57   0.00000  1.0 1.0
   46    44    49    71   0.00000  1.0 1.0
   49    57    60    61   3.62500 -1.0 2.0
   49    57    60    63   3.62500 -1.0 2.0
   57    49    71    67   3.62500 -1.0 2.0
   57    49    71    72   3.62500 -1.0 2.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60   -63    67   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    63   3.62500 -1.0 2.0
   60    63    67    68   3.62500 -1.0 2.0
   60    63    67    71   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    67   3.62500 -1.0 2.0
   63    67   -71    49   3.62500 -1.0 2.0
   63    67    71    72   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    71   3.62500 -1.0 2.0
   68    67    71    49   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    49    57    58   3.62500 -1.0 2.0
   71    49   -57    60   3.62500 -1.0 2.0
   47    42    44    45   0.15000  1.0 3.0
   47    42    44    46   0.15000  1.0 3.0
   47    42    44    49   0.03550  1.0 1.0
   47    42    44    49   0.09800 -1.0 2.0
   47    54    59    62  -0.32850  1.0 1.0
   47    54    59    62  -0.35800 -1.0 2.0
   47    54    59    62   0.33950  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    59   0.23400  1.0 3.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    59   0.62750  1.0 1.0
   50    47    54    59  -0.30950 -1.0 2.0
   50    47    54    59   0.27300  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   54    59    62    65   1.63200 -1.0 2.0
   54    59    62    77   1.63200 -1.0 2.0
   55    54    59    62   0.08050  1.0 3.0
   56    54    59    62   0.08050  1.0 3.0
   59    62    65    66   3.62500 -1.0 2.0
   59    62    65    69   3.62500 -1.0 2.0
   59    62    77    75   3.62500 -1.0 2.0
   59    62    77    78   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    69    73   3.62500 -1.0 2.0
   65    62    77    75   3.62500 -1.0 2.0
   65    62    77    78   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69   -73    75   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75   -77    62   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    62    65    66   3.62500 -1.0 2.0
   77    62   -65    69   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
   37    30    36    38  10.50000 -1.0 2.0
   57    71    49    44   4.00000 -1.0 2.0
   60    58    57    49   1.10000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   67    64    63    60   1.10000 -1.0 2.0
   71    68    67    63   1.10000 -1.0 2.0
   67    72    71    49   1.10000 -1.0 2.0
   65    77    62    59   4.00000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    62   1.10000 -1.0 2.0
END
