* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    141    215     407
    1     0 S   NP   _N1_     1    29.49726   101.62664   -19.54172
    2     1 S   H    _HN1     2     1.02778    88.23374   -93.87426
    3     1 S   H    _H1_     3     1.02955    51.93741    21.19037
    4     1 S   H    _H2_     4     1.02833    68.66017   156.12672
    5     1 S   CT   _CA1     5     1.50114   157.69061    63.26243
    6     5 S   HC   _HA1     6     1.09586   105.17515   143.22342
    7     5 S   CO3  _C1_     7     1.53585   112.45163    23.15350
    8     7 S   O2Z  _O11     8     1.26356   115.00056   -44.51612
    9     7 S   O2Z  _O12     9     1.26221   114.87789   134.34508
   10     5 S   CT   _CB1    10     1.53018   107.43612   -99.02850
   11    10 S   HC   HB11    11     1.09828   108.93922   -52.51670
   12    10 S   HC   HB12    12     1.09811   110.60387    63.91526
   13    10 S   CT   _CG1    13     1.53033   112.75064  -173.70284
   14    13 S   HC   HG11    14     1.09611   110.55285   -70.15171
   15    13 S   HC   HG12    15     1.09677   109.87925    49.05875
   16    13 S   C    _CD1    16     1.51832   112.15845   169.13905
   17    16 S   O    _OE1    17     1.22763   123.28857     4.42355
   18    16 S   N    _N2_    18     1.38482   111.74651  -175.15960
   19    18 S   H    _HN2    19     1.01589   119.00779     2.02970
   20    18 S   CT1  _CA2    20     1.45851   122.84483   174.60315
   21    20 S   HC   _HA2    21     1.09722   109.09315    24.91140
   22    20 S   C    _C2_    22     1.52985   106.84914   -91.98810
   23    22 S   O    _O2_    23     1.22980   123.12001   -26.48601
   24    20 S   CT   _CB2    32     1.53013   111.93006   148.54479
   25    24 S   HC   HB21    33     1.09509   109.65595    50.60184
   26    24 S   HC   HB22    34     1.09506   110.53198   169.24148
   27    22 S   N    _N3_    24     1.38518   112.52750   156.17342
   28    27 S   H    _HN3    25     1.01657   120.32167    -2.02893
   29    24 S   S    _SG2    35     1.82697   110.86019   -71.47831
   30    27 S   CT   _CA3    26     1.45348   122.49475   178.59835
   31    30 S   HC   HA31    27     1.09567   107.80317   -55.75655
   32    30 S   HC   HA32    28     1.09562   107.61739    60.57628
   33    29 S   CT   _C14    36     1.84746   100.79515   153.12907
   34    33 S   OM   _O35    37     1.31920   110.38830   175.98736
   35    30 S   CO3  _C3_    29     1.52889   114.32575  -177.67510
   36    35 S   O2Z  _O31    30     1.26335   116.06367    -0.64072
   37    35 S   O2Z  _O32    31     1.26436   114.40964   179.33324
   38    33 S   CT   _C15    38     1.54609   108.01619    60.80974
   39    38 S   HC   _H9_    39     1.09665   111.69235   -66.79110
   40    38 S   HC   _H10    40     1.10012   111.18083   176.77645
   41    38 S   HC   _H11    41     1.09822   113.21822    55.80908
   42    33 S   OS   _O34    42     1.44713   113.68028   -54.96558
   43    42 S   CA   _C12    43     1.36751   123.99166   -61.97966
   44    43 S   CA   _C11    44     1.39632   114.39601   172.48616
   45    44 S   HA   _H7_    45     1.08776   119.97130    -1.17270
   46    44 S   CA   _C10    46     1.39941   120.96903   178.62855
   47    46 S   HA   _H6_    47     1.08667   117.59618  -179.89721
   48    46 S   CA   _C9_    48     1.40131   120.97653    -0.81805
   49    48 S   CA   _C8_    49     1.39619   117.52109     0.58316
   50    43 S   CA   _C13    50     1.39176   127.11582    -8.75122
   51    50 S   HA   _H8_    51     1.08474   121.81633     1.11487
   52    49 S   OS   _O33    52     1.36663   122.57962   179.23306
   53    52 S   CT   _C7_    53     1.44722   116.86716    25.94540
   54    53 S   CM   _C6_    54     1.53154   113.28533   -34.59952
   55    53 S   CT   _C16    71     1.53961   106.95045    88.33158
   56    55 S   HC   _H12    72     1.09656   110.73483    49.02713
   57    55 S   HC   _H13    73     1.09632   111.28321   -68.93412
   58    55 S   HC   _H14    74     1.09467   112.15132   169.79994
   59    53 S   CT   _C17    75     1.53989   103.34810  -157.09066
   60    59 S   HC   _H15    76     1.09709   110.68420   -51.64992
   61    59 S   HC   _H16    77     1.09479   112.64247  -172.13723
   62    59 S   HC   _H17    78     1.09614   110.88009    65.73355
   63    54 S   CA   _C18    55     1.47939   117.51013  -161.44905
   64    48 S   CM   _C5_    66     1.47876   123.02737  -179.32856
   65    63 S   CA   _C19    56     1.40351   120.07118   -89.44685
   66    65 S   HA   _H18    57     1.08749   120.56407     0.69436
   67    64 S   CT   _C4_    67     1.50733   117.90172   -11.56436
   68    67 S   HC   _H3_    68     1.09532   110.57634    67.10824
   69    67 S   HC   _H4_    69     1.09585   110.53057   -53.48415
   70    67 S   HC   _H5_    70     1.09318   113.55419  -172.62669
   71    65 S   CA   _C20    58     1.39498   120.34587  -179.10518
   72    71 S   HA   _H19    59     1.08536   120.32907  -179.83331
   73    71 S   CA   _C21    60     1.39073   119.48809     0.36045
   74    73 S   F    F1__    61     1.34023   119.46637   179.95577
   75    73 S   CA   _C22    62     1.39050   121.04693     0.15323
   76    75 S   HA   _H20    63     1.08534   120.25679   179.71196
   77    63 S   CA   _C23    64     1.40297   120.65327    92.33914
   78    77 S   HA   _H21    65     1.08656   120.50593    -0.98178
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  12
   9   4   1  12  14  20   9   3   2   1   5   2   1   1  11   6
   8   4   3   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    64  
   46    47    48    50  
   47    48    49    50    52    54    64    67  
   48    49    64  
   49    50    51    52    53    54    63    64    67    68    69    70  
   50    51    52    53    54    64    67    55    59  
   51    52    53    64  
   52  
   53    54    63    64    55    56    57    58    59    60    61    62  
   54    63    65    77    64    67    55    56    57    58    59    60    61    62  
   63    65    66    71    75    77    78    64    67    68    69    70    55    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62    63    64  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64  
   61    62  
   62  
    0  
   65    66    71    72    73    75    76    77    78    64    67  
   67    68    69    70    65    77  
   66    71    72    73    74    75    77    78  
   71    72    73    77  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    64   320.000  1.460
   49    50   469.000  1.400
   49    52   450.000  1.364
   50    51   367.000  1.080
   52    53   320.000  1.410
   53    54   317.000  1.510
   53    55   268.000  1.529
   53    59   268.000  1.529
   54    63   320.000  1.460
   54    64   549.000  1.340
   63    65   469.000  1.400
   63    77   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   420.000  1.354
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    64    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    52    70.00000  120.00000
   48    64    54    60.00000  123.20500
   48    64    67    65.00000  118.87000
   49    50    51    35.00000  120.00000
   49    52    53    75.00000  111.00000
   50    43    44    63.00000  120.00000
   52    49    50    70.00000  120.00000
   52    53    54    85.00000  110.90400
   52    53    55    50.00000  109.50000
   52    53    59    50.00000  109.50000
   53    54    63    60.00000  124.00000
   53    54    64    70.00000  124.00000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   54    63    65    60.00000  118.70000
   54    63    77    60.00000  118.70000
   54    64    67    70.00000  124.00000
   63    65    66    35.00000  120.00000
   63    65    71    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    78    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    73    74    80.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    80.00000  120.00000
   75    77    78    35.00000  120.00000
   77    63    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   64    48    49    60.00000  120.93500
   64    54    63    60.00000  123.66000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    53    54    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    53    54    70.00000  112.02700
   59    53    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    51   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    64   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    64    54   0.15800  1.0 1.0
   46    48    64    54   1.85350 -1.0 2.0
   46    48    64    54  -0.48700  1.0 3.0
   46    48    64    67  -0.02500  1.0 1.0
   46    48    64    67  -0.32150 -1.0 2.0
   46    48    64    67  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    64   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49    52    53   1.63200 -1.0 2.0
   48    64    67    68   0.77000  1.0 3.0
   48    64    67    69   0.77000  1.0 3.0
   48    64    67    70   0.77000  1.0 3.0
   49    48    64    54   0.15800  1.0 1.0
   49    48    64    54   1.85350 -1.0 2.0
   49    48    64    54  -0.48700  1.0 3.0
   49    48    64    67  -0.02500  1.0 1.0
   49    48    64    67  -0.32150 -1.0 2.0
   49    48    64    67  -0.01500  1.0 3.0
   49    52   -53    54  -0.25600  1.0 1.0
   49    52   -53    54  -0.40050 -1.0 2.0
   49    52   -53    54   0.34700  1.0 3.0
   49    52    53    55  -0.32850  1.0 1.0
   49    52    53    55  -0.35800 -1.0 2.0
   49    52    53    55   0.33950  1.0 3.0
   49    52    53    59  -0.32850  1.0 1.0
   49    52    53    59  -0.35800 -1.0 2.0
   49    52    53    59   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   1.63200 -1.0 2.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    54    63   0.09700  1.0 1.0
   52    53    54    63   0.15600 -1.0 2.0
   52    53    54    63  -0.50800  1.0 3.0
   52    53    54    64   0.39000  1.0 1.0
   52    53    54    64  -0.05800 -1.0 2.0
   52    53    54    64  -0.55150  1.0 3.0
   52    53    55    56   0.23400  1.0 3.0
   52    53    55    57   0.23400  1.0 3.0
   52    53    55    58   0.23400  1.0 3.0
   52    53    59    60   0.23400  1.0 3.0
   52    53    59    61   0.23400  1.0 3.0
   52    53    59    62   0.23400  1.0 3.0
   53    54    63    65  -0.02500  1.0 1.0
   53    54    63    65  -0.32150 -1.0 2.0
   53    54    63    65  -0.01500  1.0 3.0
   53    54    63    77  -0.02500  1.0 1.0
   53    54    63    77  -0.32150 -1.0 2.0
   53    54    63    77  -0.01500  1.0 3.0
   53    54   -64    48   7.00000 -1.0 2.0
   53    54    64    67   7.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    63    65    66   3.62500 -1.0 2.0
   54    63    65    71   3.62500 -1.0 2.0
   54    63    77    75   3.62500 -1.0 2.0
   54    63    77    78   3.62500 -1.0 2.0
   54    64    67    68   0.00000  1.0 1.0
   54    64    67    69   0.00000  1.0 1.0
   54    64    67    70   0.00000  1.0 1.0
   63    54    64    48   7.00000 -1.0 2.0
   63    54    64    67   7.00000 -1.0 2.0
   63    65    71    72   3.62500 -1.0 2.0
   63    65    71    73   3.62500 -1.0 2.0
   65    63    77    75   3.62500 -1.0 2.0
   65    63    77    78   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71   -73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    63   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    63   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    63    65    66   3.62500 -1.0 2.0
   77    63   -65    71   3.62500 -1.0 2.0
   64    48    49    50   3.62500 -1.0 2.0
   64    48   -49    52   3.62500 -1.0 2.0
   64    54    63    65   0.15800  1.0 1.0
   64    54    63    65   1.85350 -1.0 2.0
   64    54    63    65  -0.48700  1.0 3.0
   64    54    63    77   0.15800  1.0 1.0
   64    54    63    77   1.85350 -1.0 2.0
   64    54    63    77  -0.48700  1.0 3.0
   55    53    54    63  -0.01700  1.0 1.0
   55    53    54    63   0.06550 -1.0 2.0
   55    53    54    63  -0.91500  1.0 3.0
   55    53    54    64   0.09850  1.0 1.0
   55    53    54    64   0.15250 -1.0 2.0
   55    53    54    64  -0.50650  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   59    53    54    63  -0.01700  1.0 1.0
   59    53    54    63   0.06550 -1.0 2.0
   59    53    54    63  -0.91500  1.0 3.0
   59    53    54    64   0.09850  1.0 1.0
   59    53    54    64   0.15250 -1.0 2.0
   59    53    54    64  -0.50650  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    58   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    64    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   53    63    54    64   1.10000 -1.0 2.0
   65    77    63    54   4.00000 -1.0 2.0
   71    66    65    63   1.10000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    63   1.10000 -1.0 2.0
   48    67    64    54   1.10000 -1.0 2.0
END
