* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    233     442
    1     0 S   NP   _N1_     1    28.84054    95.39389   -20.49453
    2     1 S   H    _HN1     2     1.02781    83.91482   -61.59429
    3     1 S   H    _H1_     3     1.02961    91.69764    46.63442
    4     1 S   H    _H2_     4     1.02838    34.96962   164.67010
    5     1 S   CT   _CA1     5     1.50108   145.24050   177.51336
    6     5 S   HC   _HA1     6     1.09584   105.22736    51.27782
    7     5 S   CO3  _C1_     7     1.53784   112.36316   -68.82042
    8     7 S   O2Z  _O11     8     1.26341   115.03294   -46.04405
    9     7 S   O2Z  _O12     9     1.26251   114.88314   133.13528
   10     5 S   CT   _CB1    10     1.53105   107.41681   169.01069
   11    10 S   HC   HB11    11     1.09814   109.23169   -52.29457
   12    10 S   HC   HB12    12     1.09819   110.47709    64.23397
   13    10 S   CT   _CG1    13     1.52965   112.62885  -173.52316
   14    13 S   HC   HG11    14     1.09565   110.18911   -63.61191
   15    13 S   HC   HG12    15     1.09643   110.13160    55.44346
   16    13 S   C    _CD1    16     1.51841   112.38925   175.59233
   17    16 S   O    _OE1    17     1.22710   123.24676   -10.39101
   18    16 S   N    _N2_    18     1.38570   111.59198   170.55290
   19    18 S   H    _HN2    19     1.01578   118.90838     0.45500
   20    18 S   CT1  _CA2    20     1.46160   123.63756  -179.69226
   21    20 S   HC   _HA2    21     1.09739   109.34501   -15.94589
   22    20 S   C    _C2_    22     1.53502   107.80855  -131.39326
   23    22 S   O    _O2_    23     1.23001   122.38096  -144.37619
   24    20 S   CT   _CB2    32     1.53642   111.75457   106.51029
   25    24 S   HC   HB21    33     1.09402   109.60960    52.41537
   26    24 S   HC   HB22    34     1.09299   109.46503   171.11268
   27    22 S   N    _N3_    24     1.38546   113.25828    42.85400
   28    27 S   H    _HN3    25     1.01535   118.90456    -0.54357
   29    24 S   S    _SG2    35     1.82817   111.73294   -69.07939
   30    27 S   CT   _CA3    26     1.45457   123.49878   175.14728
   31    30 S   HC   HA31    27     1.09519   109.28446    23.25903
   32    30 S   HC   HA32    28     1.09496   107.10313   140.28391
   33    29 S   CT   _C11    36     1.86964   101.75649   173.19219
   34    30 S   CO3  _C3_    29     1.52932   113.11076  -100.24562
   35    34 S   O2Z  _O31    30     1.26402   115.41451   -43.66217
   36    34 S   O2Z  _O32    31     1.26355   114.97102   137.25652
   37    33 S   CM   _C10    37     1.54942   105.51641  -171.13756
   38    33 S   CT   _C12    56     1.53530   111.14308    65.02456
   39    38 S   HC   _H12    57     1.08902   116.17161    92.58964
   40    38 S   HC   _H13    58     1.09270   113.91620   -34.76680
   41    33 S   OS   _O36    59     1.44287   109.49949   -51.60293
   42    37 S   CM   _C9_    38     1.35613   127.34321   105.38369
   43    42 S   HC   _H11    39     1.09338   115.31608   179.35532
   44    37 S   CT   _C22    78     1.55509   116.66942   -73.15075
   45    44 S   OM   _O39    79     1.32555   107.35431  -101.69257
   46    44 S   HC   _H21    80     1.10379   105.29272   131.33716
   47    44 S   HC   _H22    81     1.10032   107.05924    26.36115
   48    42 S   CT   _C8_    40     1.50698   134.19411     1.08930
   49    48 S   HC   _H3_    41     1.09763   104.09149  -153.30259
   50    48 S   CT   _C17    42     1.54626   114.08843    87.96835
   51    50 S   HC   _H5_    43     1.09943   108.58025  -161.87456
   52    48 S   OS   _O34    67     1.44360   112.53403   -40.02789
   53    50 S   CM   _C18    44     1.50026   116.98812    78.72111
   54    52 S   CO4  _C7_    68     1.36417   116.61358  -150.48734
   55    54 S   O    _O33    69     1.22359   125.91850    -0.65402
   56    53 S   CO4  _C20    45     1.47911   107.92016  -155.55728
   57    56 S   O    _O37    46     1.21722   127.32252  -166.86486
   58    53 S   CM   _C19    64     1.33618   131.46499    23.70672
   59    58 S   HC   _H16    65     1.08371   121.85575     0.95736
   60    58 S   HC   _H17    66     1.08567   121.48226  -179.45788
   61    54 S   CM   _C5_    70     1.48658   110.23634   179.49063
   62    56 S   OS   _O38    47     1.36219   106.63958    11.35423
   63    61 S   CM   _C6_    71     1.34119   117.35776  -164.69543
   64    63 S   HC   _H9_    72     1.08571   121.01017  -179.97202
   65    63 S   HC   _H10    73     1.08535   122.50830     0.93251
   66    61 S   CT   _C4_    74     1.49320   120.10608    16.05822
   67    66 S   HC   _H6_    75     1.09191   110.07406   -64.42166
   68    66 S   HC   _H7_    76     1.09409   110.58763    56.07881
   69    66 S   HC   _H8_    77     1.09522   112.06538   175.97878
   70    50 S   CT   _C16    48     1.53476   117.68545   -38.69326
   71    70 S   HC   _H4_    49     1.09520   113.40820    48.02367
   72    70 S   CT   _C15    50     1.53318   115.74188   -81.38549
   73    72 S   HC   _H14    51     1.09888   108.72264  -143.21538
   74    72 S   HC   _H15    52     1.09809   108.39279   -29.05622
   75    72 S   CT   _C14    53     1.53077   116.13294    94.20955
   76    75 S   CO4  _C13    54     1.50578   114.17597    61.36809
   77    76 S   O    _O35    55     1.22331   125.03140    45.69947
   78    75 S   CT   _C21    60     1.52910   110.38396  -175.60858
   79    78 S   HC   _H18    61     1.09537   110.88544    63.67074
   80    78 S   HC   _H19    62     1.09532   111.46688   -57.53019
   81    78 S   HC   _H20    63     1.09568   111.48895  -177.69896
  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  10   5   4   3
  17   2   1   1  16  10   5   4  13  13   5   4   2   1   1  14
   6  16   8   7   9   9   3   8   3   4   1   1   7   6   6   2
   1   3   2   1   1   7   4   9   4   3   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    75    76    38    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    72    75    76    77    38    39    40    41    78    44    45    46    47  
   35    36  
   36  
    0  
   42    43    48    49    50    75    76    38    39    40    41    52    44    45    46    47  
   39    40    41    78    44    42    72    75    76    77  
   40    41    75    76    77  
   41    75    76    77  
   78    79    80    81    44    42    70    72    73    74    75    76    77  
   43    48    49    50    51    53    70    52    54    44    45    46    47  
   48    49    50    52    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    53    56    62    70    71    72    58    52    54    55    61  
   50    51    53    70    52    54  
   51    53    56    57    62    70    71    72    73    74    75    58    59    60    52    54  
   53    56    62    70    71    72    58    52  
   54    55    61    63    66    53    70  
   56    57    62    70    71    72    58    59    60  
   55    61    63    64    65    66    67    68    69  
   61    63    66  
   57    62    70    71    72    58    59    60  
   62    70    58  
   59    60    62    70  
   60  
    0  
   63    64    65    66    67    68    69  
   70    71    72    73    74    75  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    78  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    78  
   75    76    78  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    41   320.000  1.410
   37    42   549.000  1.340
   37    44   317.000  1.510
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    70   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    70   320.000  1.410
   70    71   340.000  1.090
   70    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   317.000  1.522
   75    41   320.000  1.410
   75    78   268.000  1.529
   76    77   570.000  1.229
   76    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   320.000  1.462
   61    63   549.000  1.340
   61    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   44    45   570.000  1.307
   44    46   340.000  1.090
   44    47   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    38    76    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    75    60.00000  109.50000
   37    42    43    35.00000  120.00000
   37    42    48    70.00000  124.00000
   37    44    45    85.00000  110.90400
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    70.00000  112.02700
   48    50    70    58.35000  112.70000
   48    52    54    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    70    62    50.00000  109.50000
   50    70    71    37.50000  110.70000
   50    70    72    58.35000  112.70000
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    62    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    62    70    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    70    71    35.00000  109.50000
   62    70    72    50.00000  109.50000
   70    50    51    37.50000  110.70000
   70    50    53    70.00000  112.02700
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    75    76    63.00000  111.10000
   72    75    41    50.00000  109.50000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    80.00000  120.40000
   75    76    38    70.00000  116.00000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   76    38    39    35.00000  109.50000
   76    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    76    77    80.00000  120.40000
   40    38    39    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    38    50.00000  109.50000
   41    75    76    90.00000  108.74100
   78    75    76    63.00000  111.10000
   78    75    41    50.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    63    65.00000  118.96000
   54    61    66    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    63    64    35.00000  120.00000
   61    63    65    35.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   65    63    64    35.00000  117.00000
   66    61    63    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   44    37    42    70.00000  124.00000
   46    44    45    45.00000  125.66300
   47    44    45    45.00000  125.66300
   47    44    46    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    38    76   0.56750  1.0 1.0
   29    33    38    76  -0.07550 -1.0 2.0
   29    33    38    76   0.20000  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    41    75   0.14700  1.0 1.0
   29    33    41    75  -1.16150 -1.0 2.0
   29    33    41    75   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    37    44    45   0.09700  1.0 1.0
   33    37    44    45   0.15600 -1.0 2.0
   33    37    44    45  -0.50800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   37    33    38    76  -0.98800  1.0 1.0
   37    33    38    76   0.48800 -1.0 2.0
   37    33    38    76   0.76800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    75  -0.77900  1.0 1.0
   37    33    41    75  -0.36900 -1.0 2.0
   37    33    41    75   0.40400  1.0 3.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.09850  1.0 1.0
   37    42    48    50   0.15250 -1.0 2.0
   37    42    48    50  -0.50650  1.0 3.0
   37    42    48    52   0.39000  1.0 1.0
   37    42    48    52  -0.05800 -1.0 2.0
   37    42    48    52  -0.55150  1.0 3.0
   42    37    44    45   0.39000  1.0 1.0
   42    37    44    45  -0.05800 -1.0 2.0
   42    37    44    45  -0.55150  1.0 3.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    53   0.31000  1.0 1.0
   42    48    50    53   0.14700 -1.0 2.0
   42    48    50    53   0.07550  1.0 3.0
   42    48    50    70   0.34400  1.0 1.0
   42    48    50    70   0.09450 -1.0 2.0
   42    48    50    70   0.11100  1.0 3.0
   42    48    52    54  -0.82050  1.0 1.0
   42    48    52    54   0.00600 -1.0 2.0
   42    48    52    54   0.04400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    52   0.00000  1.0 1.0
   48    50    53    56   0.09700  1.0 1.0
   48    50    53    56   0.15600 -1.0 2.0
   48    50    53    56  -0.50800  1.0 3.0
   48    50    53    58   0.09850  1.0 1.0
   48    50    53    58   0.15250 -1.0 2.0
   48    50    53    58  -0.50650  1.0 3.0
   48    50    70    62   0.62750  1.0 1.0
   48    50    70    62  -0.30950 -1.0 2.0
   48    50    70    62   0.27300  1.0 3.0
   48    50    70    71   0.15000  1.0 3.0
   48    50    70    72   0.56750  1.0 1.0
   48    50    70    72  -0.07550 -1.0 2.0
   48    50    70    72   0.20000  1.0 3.0
   48    52    54    55   3.00000 -1.0 2.0
   48    52    54    61   2.00000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    70   0.15000  1.0 3.0
   49    48    52    54   0.08050  1.0 3.0
   50    48    52    54  -0.25900  1.0 1.0
   50    48    52    54  -0.47000 -1.0 2.0
   50    48    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    62  -0.15000  1.0 1.0
   50    53   -56    62   0.89550 -1.0 2.0
   50    53   -56    62  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    70    72    73   0.15000  1.0 3.0
   50    70    72    74   0.15000  1.0 3.0
   50    70    72    75   0.56750  1.0 1.0
   50    70    72    75  -0.07550 -1.0 2.0
   50    70    72    75   0.20000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    70    62   0.23400  1.0 3.0
   51    50    70    71   0.15000  1.0 3.0
   51    50    70    72   0.15000  1.0 3.0
   53    50   -70    62   0.61850  1.0 1.0
   53    50   -70    62  -0.22750 -1.0 2.0
   53    50   -70    62   0.15300  1.0 3.0
   53    50    70    71   0.15000  1.0 3.0
   53    50    70    72   0.34400  1.0 1.0
   53    50    70    72   0.09450 -1.0 2.0
   53    50    70    72   0.11100  1.0 3.0
   53    56   -62    70   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    62   -70    50  -0.25900  1.0 1.0
   56    62   -70    50  -0.47000 -1.0 2.0
   56    62   -70    50   0.11750  1.0 3.0
   56    62    70    71   0.08050  1.0 3.0
   56    62    70    72  -0.25900  1.0 1.0
   56    62    70    72  -0.47000 -1.0 2.0
   56    62    70    72   0.11750  1.0 3.0
   57    56    62    70   3.00000 -1.0 2.0
   62    70    72    73   0.23400  1.0 3.0
   62    70    72    74   0.23400  1.0 3.0
   62    70    72    75   0.62750  1.0 1.0
   62    70    72    75  -0.30950 -1.0 2.0
   62    70    72    75   0.27300  1.0 3.0
   70    50   -53    56   0.09700  1.0 1.0
   70    50   -53    56   0.15600 -1.0 2.0
   70    50   -53    56  -0.50800  1.0 3.0
   70    50    53    58   0.09850  1.0 1.0
   70    50    53    58   0.15250 -1.0 2.0
   70    50    53    58  -0.50650  1.0 3.0
   70    72    75    76  -0.95700  1.0 1.0
   70    72    75    76  -0.18200 -1.0 2.0
   70    72    75    76   0.29450  1.0 3.0
   70    72    75    41   0.62750  1.0 1.0
   70    72    75    41  -0.30950 -1.0 2.0
   70    72    75    41   0.27300  1.0 3.0
   70    72    75    78   0.56750  1.0 1.0
   70    72    75    78  -0.07550 -1.0 2.0
   70    72    75    78   0.20000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    75   0.15000  1.0 3.0
   72    75    76    77   0.30150 -1.0 2.0
   72    75    76    38   0.60050  1.0 1.0
   72    75    76    38   0.05600 -1.0 2.0
   72    75    76    38   0.26150  1.0 3.0
   72    75    41    33   0.06250  1.0 1.0
   72    75    41    33  -0.01100 -1.0 2.0
   72    75    41    33   0.28050  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.15000  1.0 3.0
   73    72    75    76  -0.11250  1.0 3.0
   73    72    75    41   0.23400  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76  -0.11250  1.0 3.0
   74    72    75    41   0.23400  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    76   -38    33   0.60050  1.0 1.0
   75    76   -38    33   0.05600 -1.0 2.0
   75    76   -38    33   0.26150  1.0 3.0
   75    76    38    39   0.00000  1.0 1.0
   75    76    38    40   0.00000  1.0 1.0
   76    75   -41    33  -1.11000  1.0 1.0
   76    75   -41    33   0.50250 -1.0 2.0
   76    75   -41    33   0.47450  1.0 3.0
   76    75    78    79  -0.11250  1.0 3.0
   76    75    78    80  -0.11250  1.0 3.0
   76    75    78    81  -0.11250  1.0 3.0
   77    76    38    33   0.30150 -1.0 2.0
   77    76    38    39   0.00000  1.0 1.0
   77    76    38    40   0.00000  1.0 1.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33   -41    75   0.06250  1.0 1.0
   38    33   -41    75  -0.01100 -1.0 2.0
   38    33   -41    75   0.28050  1.0 3.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    37    44   0.09700  1.0 1.0
   41    33    37    44   0.15600 -1.0 2.0
   41    33    37    44  -0.50800  1.0 3.0
   41    33   -38    76  -0.09450  1.0 1.0
   41    33   -38    76  -1.12950 -1.0 2.0
   41    33   -38    76   0.54000  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    75    76    77   0.30150 -1.0 2.0
   41    75   -76    38   0.55300  1.0 1.0
   41    75   -76    38   1.25850 -1.0 2.0
   41    75   -76    38  -0.23600  1.0 3.0
   41    75    78    79   0.23400  1.0 3.0
   41    75    78    80   0.23400  1.0 3.0
   41    75    78    81   0.23400  1.0 3.0
   78    75    76    77   0.30150 -1.0 2.0
   78    75    76    38   0.60050  1.0 1.0
   78    75    76    38   0.05600 -1.0 2.0
   78    75    76    38   0.26150  1.0 3.0
   78    75    41    33   0.06250  1.0 1.0
   78    75    41    33  -0.01100 -1.0 2.0
   78    75    41    33   0.28050  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    62  -0.56150  1.0 1.0
   58    53    56    62   2.19150 -1.0 2.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.61850  1.0 1.0
   52    48    50    53  -0.22750 -1.0 2.0
   52    48    50    53   0.15300  1.0 3.0
   52    48    50    70   0.62750  1.0 1.0
   52    48    50    70  -0.30950 -1.0 2.0
   52    48    50    70   0.27300  1.0 3.0
   52    54    61    63  -0.56150  1.0 1.0
   52    54    61    63   2.19150 -1.0 2.0
   52    54    61    66  -0.15000  1.0 1.0
   52    54    61    66   0.89550 -1.0 2.0
   52    54    61    66  -0.06900  1.0 3.0
   54    61    63    64   7.00000 -1.0 2.0
   54    61    63    65   7.00000 -1.0 2.0
   54    61    66    67   0.15000  1.0 3.0
   54    61    66    68   0.15000  1.0 3.0
   54    61    66    69   0.15000  1.0 3.0
   55    54    61    63   1.00000 -1.0 2.0
   55    54    61    66  -0.64400  1.0 1.0
   55    54    61    66   0.26850 -1.0 2.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   63    61    66    69   0.00000  1.0 1.0
   66    61    63    64   7.00000 -1.0 2.0
   66    61    63    65   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   50    56    53    58   1.10000 -1.0 2.0
   53    62    56    57  10.50000 -1.0 2.0
   75    38    76    77  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   54    66    61    63  15.00000 -1.0 2.0
   64    65    63    61  15.00000 -1.0 2.0
END
