* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    154    224     442
    1     0 S   NP   _N1_     1    28.84146    95.88770   -19.86800
    2     1 S   H    _HN1     2     1.02779    79.97764   -85.56779
    3     1 S   H    _H1_     3     1.02961    86.39178    23.76390
    4     1 S   H    _H2_     4     1.02837    42.73144   143.80797
    5     1 S   CT   _CA1     5     1.50089   153.16500   154.26824
    6     5 S   HC   _HA1     6     1.09568   105.28316    51.60164
    7     5 S   CO3  _C1_     7     1.53768   112.42036   -68.75122
    8     7 S   O2Z  _O11     8     1.26355   115.00841   -43.56910
    9     7 S   O2Z  _O12     9     1.26233   114.94949   135.87808
   10     5 S   CT   _CB1    10     1.53100   107.46381   169.63460
   11    10 S   HC   HB11    11     1.09821   109.42268   -50.39072
   12    10 S   HC   HB12    12     1.09824   110.37695    66.19240
   13    10 S   CT   _CG1    13     1.52994   112.63989  -171.49356
   14    13 S   HC   HG11    14     1.09534   110.43279   -61.90284
   15    13 S   HC   HG12    15     1.09642   110.04420    57.29579
   16    13 S   C    _CD1    16     1.51765   112.31811   177.66527
   17    16 S   O    _OE1    17     1.22714   123.23565    -5.60389
   18    16 S   N    _N2_    18     1.38619   111.61133   174.76643
   19    18 S   H    _HN2    19     1.01578   119.05207     1.43204
   20    18 S   CT1  _CA2    20     1.46208   123.38655  -179.45571
   21    20 S   HC   _HA2    21     1.09733   109.42022    -8.02840
   22    20 S   C    _C2_    22     1.53442   108.24112  -123.66222
   23    22 S   O    _O2_    23     1.23011   122.27684  -144.68381
   24    20 S   CT   _CB2    32     1.53399   111.51449   113.99989
   25    24 S   HC   HB21    33     1.09591   109.89460    56.04548
   26    24 S   HC   HB22    34     1.09454   110.07869   175.04702
   27    22 S   N    _N3_    24     1.38522   113.38094    42.55505
   28    27 S   H    _HN3    25     1.01515   118.93898    -0.50085
   29    24 S   S    _SG2    35     1.82841   111.65917   -64.75789
   30    27 S   CT   _CA3    26     1.45456   123.48340   175.19287
   31    30 S   HC   HA31    27     1.09519   109.30373    23.29493
   32    30 S   HC   HA32    28     1.09497   107.10967   140.30800
   33    29 S   CT   _C15    36     1.86263    99.76140   173.48350
   34    33 S   HC   _H3_    37     1.09449   105.29199   -36.04598
   35    30 S   CO3  _C3_    29     1.52918   113.04670  -100.22687
   36    35 S   O2Z  _O31    30     1.26407   115.37202   -45.26121
   37    35 S   O2Z  _O32    31     1.26350   115.00339   135.65338
   38    33 S   CM   _C10    38     1.51142   105.94479    79.70779
   39    38 S   HC   _H30    39     1.08982   115.91306   -75.52579
   40    38 S   CMA  _C11    40     1.34923   125.89685   106.03572
   41    40 S   OM   _O21    41     1.26177   129.43388   178.64896
   42    40 S   CT   _C13    42     1.52471   119.22463    -1.34930
   43    42 S   HC   _H31    43     1.09989   108.93873   113.00699
   44    42 S   HC   _H32    44     1.10008   110.49046  -130.59293
   45    42 S   CT   _C14    45     1.53756   115.28573    -9.07398
   46    45 S   HC   _H33    46     1.09656   108.71519   166.23434
   47    45 S   HC   _H34    47     1.09815   108.37337   -80.48296
   48    33 S   CT   _C16    48     1.57991   114.65491  -155.44078
   49    48 S   CA   _C7_    49     1.56239   114.11828   166.94404
   50    48 S   CT   _C21    68     1.56940   111.97610    45.08939
   51    50 S   HC   _H48    69     1.09702   110.52899   -64.11358
   52    50 S   HC   _H49    70     1.09784   109.90781  -177.77586
   53    49 S   CA   _C4_    50     1.40220   123.09922    -6.88701
   54    53 S   HA   _H27    51     1.08506   121.91690     1.10021
   55    50 S   CT   _C22    71     1.53674   114.76080    59.39019
   56    55 S   HC   _H50    72     1.09477   111.47521   -69.59615
   57    55 S   HC   _H51    73     1.09390   110.83455    49.13894
   58    53 S   CA   _C5_    52     1.40031   121.58482  -178.91773
   59    58 S   HA   _H28    53     1.08581   117.41145  -179.83214
   60    55 S   N    _N20    74     1.46801   111.26339   169.60371
   61    58 S   CA   _C8_    54     1.39489   120.72339     0.30901
   62    60 S   CO4  _C12    75     1.39793   122.58157   -87.20973
   63    62 S   O    _O22    76     1.22868   124.52917   179.32565
   64    60 S   CT   _C17    82     1.45544   117.13750    89.53772
   65    64 S   HC   _H36    83     1.09355   109.00111   -58.42888
   66    64 S   HC   _H37    84     1.09275   111.60994  -178.84869
   67    64 S   HC   _H38    85     1.09367   108.69339    60.97671
   68    61 S   CA   _C9_    55     1.40268   119.13027    -0.09487
   69    61 S   OS   _O23    63     1.37263   124.74298   179.74056
   70    62 S   OS   _O25    77     1.36955   112.36704    -0.25869
   71    49 S   CA   _C6_    56     1.41280   120.04665   174.44430
   72    71 S   HA   _H29    57     1.08539   118.39812    -0.82329
   73    68 S   OS   _O24    58     1.37388   115.84122   179.60783
   74    69 S   CT   _C18    64     1.42221   117.26928     0.86139
   75    74 S   HC   _H39    65     1.09430   107.73659   179.53270
   76    74 S   HC   _H40    66     1.09497   111.16540    61.80964
   77    74 S   HC   _H41    67     1.09494   111.12926   -62.77001
   78    70 S   CT   _C20    78     1.43073   115.96902   179.49798
   79    78 S   HC   _H45    79     1.09329   108.06314   178.59055
   80    78 S   HC   _H46    80     1.09411   110.37631    59.91396
   81    78 S   HC   _H47    81     1.09405   110.18506   -62.80216
   82    73 S   CT   _C19    59     1.42199   117.47861  -179.56569
   83    82 S   HC   _H42    60     1.09428   107.72590   179.73756
   84    82 S   HC   _H43    61     1.09494   111.18239    62.06113
   85    82 S   HC   _H44    62     1.09493   111.13840   -62.58143
  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   9   5   4   3
  17   7   2   1   1  10   4   8   4   8   5   4  10   4   3  14
  13  10   5   4   8   4  10   4   3   7   3   8  10  10   3   4
   2   1   1   9   6   4   3   1   4   3   2   1   1   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    48    49    53    71    50    51    52    55  
   38    39    40    45    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50  
   40    41    42    48  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48    49    53    71    50    51    52    55  
   47    48    49    50  
   48    49    50  
   49    53    54    58    68    71    72    50    51    52    55    56    57    60  
   53    54    58    59    61    68    71    72    73    50    51    52    55  
   51    52    55    56    57    60    62    64    53    71  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    61    68    71    72    69  
   58    59    61    71  
   56    57    60    62    63    70    64    65    66    67  
   57    60    62    64  
   60    62    64  
   59    61    68    71    73    69    74  
   61    68    69  
   62    63    70    78    64    65    66    67  
   68    71    72    73    82    69    74    75    76    77  
   63    70    78    79    80    81    64    65    66    67  
   70    78    64  
   65    66    67    70  
   66    67  
   67  
    0  
   71    72    73    82    83    84    85    69    74  
   74    75    76    77    71    73  
   78    79    80    81  
   72    73    82  
   73  
   82    83    84    85  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.221900   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.699500   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660  -0.130300   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   317.000  1.510
   48    50   268.000  1.529
   49    53   469.000  1.400
   49    71   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    68   469.000  1.400
   61    69   450.000  1.364
   68    71   469.000  1.400
   68    73   450.000  1.364
   71    72   367.000  1.080
   73    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   69    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   337.000  1.449
   60    62   435.000  1.380
   60    64   337.000  1.449
   62    63   570.000  1.229
   62    70   214.000  1.327
   70    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    45    58.35000  112.70000
   33    48    49    70.00000  112.17500
   33    48    50    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    48    49    70.00000  112.17500
   45    48    50    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    53    70.00000  120.00000
   48    49    71    70.00000  120.00000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   49    53    54    35.00000  120.00000
   49    53    58    63.00000  120.00000
   49    71    68    63.00000  120.00000
   49    71    72    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    61    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    61    69    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    68    71    63.00000  120.00000
   61    68    73    70.00000  120.00000
   61    69    74    75.00000  111.00000
   68    71    72    35.00000  120.00000
   68    73    82    75.00000  111.00000
   71    49    53    63.00000  120.00000
   73    68    71    70.00000  120.00000
   73    82    83    35.00000  109.50000
   73    82    84    35.00000  109.50000
   73    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   69    61    68    70.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   50    48    49    70.00000  112.17500
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    70.00000  110.72300
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    62    70.00000  120.44000
   55    60    64    50.00000  118.00000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    85.00000  125.96000
   60    62    70   110.00000  108.75700
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   62    70    78    83.00000  116.90000
   70    62    63    83.00000  123.40000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   64    60    62    70.00000  120.44000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    49    53   0.04150 -1.0 2.0
   33    48    49    71   0.04150 -1.0 2.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52   0.15000  1.0 3.0
   33    48    50    55   0.56750  1.0 1.0
   33    48    50    55  -0.07550 -1.0 2.0
   33    48    50    55   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    45   0.15000  1.0 3.0
   34    33    48    49   0.43200  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    45   0.34400  1.0 1.0
   38    33    48    45   0.09450 -1.0 2.0
   38    33    48    45   0.11100  1.0 3.0
   38    33    48    49   0.21200  1.0 1.0
   38    33    48    49   0.16900 -1.0 2.0
   38    33    48    49  -1.15100  1.0 3.0
   38    33    48    50   0.34400  1.0 1.0
   38    33    48    50   0.09450 -1.0 2.0
   38    33    48    50   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.15000  1.0 3.0
   40    42    45    48   0.34400  1.0 1.0
   40    42    45    48   0.09450 -1.0 2.0
   40    42    45    48   0.11100  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -48    33   0.56750  1.0 1.0
   42    45   -48    33  -0.07550 -1.0 2.0
   42    45   -48    33   0.20000  1.0 3.0
   42    45    48    49  -0.03700  1.0 1.0
   42    45    48    49   0.37200 -1.0 2.0
   42    45    48    49  -0.47300  1.0 3.0
   42    45    48    50   0.56750  1.0 1.0
   42    45    48    50  -0.07550 -1.0 2.0
   42    45    48    50   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.15000  1.0 3.0
   45    48    49    53   0.04150 -1.0 2.0
   45    48    49    71   0.04150 -1.0 2.0
   45    48    50    51   0.15000  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    50    55   0.56750  1.0 1.0
   45    48    50    55  -0.07550 -1.0 2.0
   45    48    50    55   0.20000  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    49   0.43200  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.43200  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    58   3.62500 -1.0 2.0
   48    49    71    68   3.62500 -1.0 2.0
   48    49    71    72   3.62500 -1.0 2.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50    55    60   0.43900  1.0 1.0
   48    50    55    60   0.49100 -1.0 2.0
   48    50    55    60   0.28400  1.0 3.0
   49    48    50    51   0.43200  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    55  -0.03700  1.0 1.0
   49    48    50    55   0.37200 -1.0 2.0
   49    48    50    55  -0.47300  1.0 3.0
   49    53    58    59   3.62500 -1.0 2.0
   49    53    58    61   3.62500 -1.0 2.0
   53    49    71    68   3.62500 -1.0 2.0
   53    49    71    72   3.62500 -1.0 2.0
   53    58   -61    68   3.62500 -1.0 2.0
   53    58    61    69   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    61   3.62500 -1.0 2.0
   58    61    68    71   3.62500 -1.0 2.0
   58    61    68    73   3.62500 -1.0 2.0
   58    61    69    74   1.63200 -1.0 2.0
   59    58    61    68   3.62500 -1.0 2.0
   59    58    61    69   3.62500 -1.0 2.0
   61    68   -71    49   3.62500 -1.0 2.0
   61    68    71    72   3.62500 -1.0 2.0
   61    68    73    82   1.63200 -1.0 2.0
   61    69    74    75   0.08050  1.0 3.0
   61    69    74    76   0.08050  1.0 3.0
   61    69    74    77   0.08050  1.0 3.0
   68    61    69    74   1.63200 -1.0 2.0
   68    73    82    83   0.08050  1.0 3.0
   68    73    82    84   0.08050  1.0 3.0
   68    73    82    85   0.08050  1.0 3.0
   71    49    53    54   3.62500 -1.0 2.0
   71    49   -53    58   3.62500 -1.0 2.0
   71    68    73    82   1.63200 -1.0 2.0
   73    68    71    49   3.62500 -1.0 2.0
   73    68    71    72   3.62500 -1.0 2.0
   69    61    68    71   3.62500 -1.0 2.0
   69    61    68    73   3.62500 -1.0 2.0
   50    48    49    53   0.04150 -1.0 2.0
   50    48    49    71   0.04150 -1.0 2.0
   50    55    60    62  -0.43950  1.0 1.0
   50    55    60    62  -0.08100 -1.0 2.0
   50    55    60    62   0.03350  1.0 3.0
   50    55    60    64  -0.05900 -1.0 2.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    62    63   3.04450 -1.0 2.0
   55    60    62    70   2.45000 -1.0 2.0
   55    60    64    65   0.00000  1.0 1.0
   55    60    64    66   0.00000  1.0 1.0
   55    60    64    67   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    62    70    78  -0.80800  1.0 1.0
   60    62    70    78   2.06850 -1.0 2.0
   62    60    64    65   0.00000  1.0 1.0
   62    60    64    66   0.00000  1.0 1.0
   62    60    64    67   0.00000  1.0 1.0
   62    70    78    79   0.08050  1.0 3.0
   62    70    78    80   0.08050  1.0 3.0
   62    70    78    81   0.08050  1.0 3.0
   63    62    70    78   3.00000 -1.0 2.0
   64    60    62    63   3.04450 -1.0 2.0
   64    60    62    70   2.45000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   53    71    49    48   4.00000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   61    59    58    53   1.10000 -1.0 2.0
   68    69    61    58   4.00000 -1.0 2.0
   71    73    68    61   4.00000 -1.0 2.0
   68    72    71    49   1.10000 -1.0 2.0
   64    62    60    55   1.00000 -1.0 2.0
   60    70    62    63  10.50000 -1.0 2.0
END
