* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    228     432
    1     0 S   NP   _N1_     1    28.86243    94.73874   -24.26596
    2     1 S   H    _HN1     2     1.02785   108.66574   -92.83840
    3     1 S   H    _H1_     3     1.02953    82.86247    14.16460
    4     1 S   H    _H2_     4     1.02829    25.73212   174.56426
    5     1 S   CT   _CA1     5     1.50104   129.33131   124.77748
    6     5 S   HC   _HA1     6     1.09573   105.23365    79.99980
    7     5 S   CO3  _C1_     7     1.53816   112.38332   -40.30466
    8     7 S   O2Z  _O11     8     1.26377   115.01928   -44.33393
    9     7 S   O2Z  _O12     9     1.26239   114.94026   134.84393
   10     5 S   CT   _CB1    10     1.53086   107.43041  -162.00247
   11    10 S   HC   HB11    11     1.09829   109.46456   -49.69243
   12    10 S   HC   HB12    12     1.09816   110.40459    66.92426
   13    10 S   CT   _CG1    13     1.52987   112.57699  -170.67818
   14    13 S   HC   HG11    14     1.09589   110.56748   -63.27557
   15    13 S   HC   HG12    15     1.09661   109.87697    55.95881
   16    13 S   C    _CD1    16     1.51791   112.27055   176.44774
   17    16 S   O    _OE1    17     1.22729   123.30103     2.88276
   18    16 S   N    _N2_    18     1.38649   111.63218  -177.29600
   19    18 S   H    _HN2    19     1.01584   118.98534     2.16591
   20    18 S   CT1  _CA2    20     1.46189   123.36908   179.36142
   21    20 S   HC   _HA2    21     1.09737   109.33962    -0.67377
   22    20 S   C    _C2_    22     1.53463   108.70462  -116.24017
   23    22 S   O    _O2_    23     1.23053   122.27247  -148.45339
   24    20 S   CT   _CB2    32     1.53352   111.54630   121.19255
   25    24 S   HC   HB21    33     1.09593   110.09401    57.20504
   26    24 S   HC   HB22    34     1.09469   110.09197   176.26687
   27    22 S   N    _N3_    24     1.38330   113.65819    39.02756
   28    27 S   H    _HN3    25     1.01608   119.55106    -3.52603
   29    24 S   S    _SG2    35     1.82638   111.46791   -63.60191
   30    27 S   CT   _CA3    26     1.45293   123.17320   177.02395
   31    30 S   HC   HA31    27     1.09551   107.52317   -64.01467
   32    30 S   HC   HA32    28     1.09558   107.95645    52.40550
   33    29 S   CT   _C17    36     1.80779    99.51607   174.86512
   34    33 S   HC   _H3_    37     1.09889   106.28402   -55.84184
   35    30 S   CO3  _C3_    29     1.52950   114.11215   174.38678
   36    35 S   O2Z  _O31    30     1.26370   116.05969    -0.82424
   37    35 S   O2Z  _O32    31     1.26429   114.41364   179.23792
   38    33 S   CM   _C5_    38     1.50356   118.10909  -174.45949
   39    38 S   CMA  _C7_    39     1.35590   108.73993  -154.98878
   40    39 S   OM   _O20    40     1.26284   128.30275  -171.76532
   41    38 S   CT   _C14    63     1.50357   123.45591    30.40954
   42    41 S   HC   _H32    64     1.09575   110.46275   -12.29892
   43    41 S   HC   _H33    65     1.09957   106.12750    98.51732
   44    39 S   OS   _O23    41     1.43601   109.61860     8.60295
   45    33 S   CT   _C19    42     1.52709   116.89248    67.13817
   46    45 S   HC   _H39    43     1.09730   109.18188   -82.48965
   47    45 S   CT   _C15    44     1.56468   119.61663    41.60266
   48    47 S   HC   _H34    45     1.09598   110.63403   -57.87394
   49    47 S   HC   _H35    46     1.09828   107.62447  -172.47595
   50    47 S   CM   _C6_    47     1.52005   114.51006    67.57032
   51    50 S   CM   _C4_    48     1.34719   119.76927   -76.96175
   52    51 S   HC   _H27    49     1.08415   118.85139   -13.35990
   53    50 S   CT   _C21    77     1.50586   115.50785    97.09533
   54    53 S   HC   _H41    78     1.09260   111.59358   -60.09062
   55    53 S   HC   _H42    79     1.09323   113.00391   177.74155
   56    53 S   HC   _H43    80     1.09574   109.49487    59.31973
   57    51 S   CT   _C16    50     1.49481   125.88698   155.24891
   58    57 S   HC   _H36    51     1.09772   111.14985   -10.67090
   59    57 S   CT   _C18    52     1.54099   114.47129  -135.67387
   60    59 S   HC   _H38    53     1.10051   110.30847   -46.50583
   61    59 S   CM   _C8_    54     1.50909    96.28609  -155.67063
   62    59 S   CT   _C20    61     1.55883   117.45996    77.73097
   63    62 S   HC   _H40    62     1.09495   109.40034    52.02484
   64    61 S   CO4  _C9_    55     1.48319   107.77871    31.76629
   65    64 S   O    _O21    56     1.21736   127.37848   163.30283
   66    61 S   CM   _C10    58     1.33634   133.34113  -144.42930
   67    66 S   HC   _H28    59     1.08100   122.63570    -1.62594
   68    66 S   HC   _H29    60     1.08612   121.39852   177.94843
   69    62 S   OS   _O25    66     1.46358   106.30861   169.60765
   70    57 S   OS   _O24    57     1.43679   107.95788   107.42035
   71    69 S   CO4  _C13    67     1.36046   118.27740  -150.02719
   72    71 S   O    _O22    68     1.22189   126.15266     2.28876
   73    71 S   CM   _C12    69     1.49009   109.34676  -177.62307
   74    73 S   CM   _C11    70     1.34142   117.40684  -174.99144
   75    74 S   HC   _H30    71     1.08550   120.95406  -179.68596
   76    74 S   HC   _H31    72     1.08539   122.44841     0.32984
   77    73 S   CT   _C22    73     1.49795   120.10272     5.56669
   78    77 S   HC   _H44    74     1.09483   110.65136   -62.56866
   79    77 S   HC   _H45    75     1.09505   110.56679    57.96132
   80    77 S   HC   _H46    76     1.09538   111.87455   177.63735
  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
  15   7   2   1   1  13   9   3  12   5   4   6   7   4  10   4
   3  10  13   5   4   2   1   1  11   6  12   7   9   8   2   5
   2   3   1   1   5   1   9   3   7   6   2   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    47    48    49    50    62    41    42    43  
   38    39    44    45    46    47    41  
   36    37  
   37  
    0  
   39    40    44    45    46    47    59    62    63    41    42    43    69  
   40    44    45    46    47    62    41    42    43  
   44    45    41  
   42    43    69    71    44    45    57    59    60    61    62    63  
   43    69    59    62    63  
   69    59    62    63  
   45    46    47    48    49    50  
   46    47    48    49    50    51    53  
   47    48    49    50  
   48    49    50    51    52    57    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    70    53    54    55    56  
   52    57    58    59    60    61    64    70    62    53    54    55    56  
   57    58    59    70    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    64    65    70    66    62    63    69  
   59    60    61    64    70    62  
   60    61    64    65    70    66    67    68    62    63    69    71  
   61    64    70    66    62    63    69  
   64    65    70    66    67    68    62    63    69  
   63    69    71    72    73    64    66    70  
   69    71  
   65    70    66    67    68  
   70    66  
   67    68    70  
   68  
    0  
   71    72    73    74    77  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    45   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   440.000  1.360
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    70   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    70   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    41   268.000  1.529
   62    69   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    44    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    80.00000  120.01400
   38    41    62    70.00000  112.02700
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   39    44    45    90.00000  111.18400
   44    39    40    65.00000  121.00000
   44    45    46    35.00000  109.50000
   44    45    47    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    50    51    70.00000  124.00000
   47    50    53    65.00000  117.92700
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    70.00000  112.02700
   51    57    70    85.00000  110.90400
   57    51    52    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    70.00000  112.02700
   57    59    62    58.35000  112.70000
   57    70    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    41    58.35000  112.70000
   59    62    69    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    70    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   70    57    58    35.00000  109.50000
   70    57    59    50.00000  109.50000
   70    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    41    42    37.50000  110.70000
   62    41    43    37.50000  110.70000
   62    69    71    83.00000  116.90000
   41    38    39    70.00000  124.00000
   41    62    63    37.50000  110.70000
   43    41    42    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    41    50.00000  109.50000
   69    71    72    83.00000  123.40000
   69    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    77    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    44   0.56750  1.0 1.0
   29    33    45    44  -0.07550 -1.0 2.0
   29    33    45    44   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    44   7.00000 -1.0 2.0
   33    38    41    62   0.46850  1.0 1.0
   33    38    41    62   0.08550 -1.0 2.0
   33    38    41    62   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.15000  1.0 3.0
   33    45    47    50   0.34400  1.0 1.0
   33    45    47    50   0.09450 -1.0 2.0
   33    45    47    50   0.11100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    44   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.15000  1.0 3.0
   38    33   -45    44   0.61850  1.0 1.0
   38    33   -45    44  -0.22750 -1.0 2.0
   38    33   -45    44   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.34400  1.0 1.0
   38    33    45    47   0.09450 -1.0 2.0
   38    33    45    47   0.11100  1.0 3.0
   38    39   -44    45  -2.26850  1.0 1.0
   38    39   -44    45   3.39050 -1.0 2.0
   39    38    41    62   0.09850  1.0 1.0
   39    38    41    62   0.15250 -1.0 2.0
   39    38    41    62  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    44   -45    33  -0.46850  1.0 1.0
   39    44   -45    33   0.09300 -1.0 2.0
   39    44   -45    33  -0.12850  1.0 3.0
   39    44    45    46   0.08050  1.0 3.0
   39    44    45    47  -0.46850  1.0 1.0
   39    44    45    47   0.09300 -1.0 2.0
   39    44    45    47  -0.12850  1.0 3.0
   40    39    44    45   2.00000 -1.0 2.0
   44    45    47    48   0.23400  1.0 3.0
   44    45    47    49   0.23400  1.0 3.0
   44    45    47    50   0.61850  1.0 1.0
   44    45    47    50  -0.22750 -1.0 2.0
   44    45    47    50   0.15300  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    50    51   0.09850  1.0 1.0
   45    47    50    51   0.15250 -1.0 2.0
   45    47    50    51  -0.50650  1.0 3.0
   45    47    50    53   0.46850  1.0 1.0
   45    47    50    53   0.08550 -1.0 2.0
   45    47    50    53   0.09800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    51    52   7.00000 -1.0 2.0
   47    50    51    57   7.00000 -1.0 2.0
   47    50    53    54   0.34800  1.0 3.0
   47    50    53    55   0.34800  1.0 3.0
   47    50    53    56   0.34800  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    53   0.34800  1.0 3.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.09850  1.0 1.0
   50    51    57    59   0.15250 -1.0 2.0
   50    51    57    59  -0.50650  1.0 3.0
   50    51    57    70   0.39000  1.0 1.0
   50    51    57    70  -0.05800 -1.0 2.0
   50    51    57    70  -0.55150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    61   0.31000  1.0 1.0
   51    57    59    61   0.14700 -1.0 2.0
   51    57    59    61   0.07550  1.0 3.0
   51    57    59    62   0.34400  1.0 1.0
   51    57    59    62   0.09450 -1.0 2.0
   51    57    59    62   0.11100  1.0 3.0
   51    57    70    64  -0.82050  1.0 1.0
   51    57    70    64   0.00600 -1.0 2.0
   51    57    70    64   0.04400  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    57    70   0.00000  1.0 1.0
   57    59   -61    64   0.09700  1.0 1.0
   57    59   -61    64   0.15600 -1.0 2.0
   57    59   -61    64  -0.50800  1.0 3.0
   57    59    61    66   0.09850  1.0 1.0
   57    59    61    66   0.15250 -1.0 2.0
   57    59    61    66  -0.50650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    41   0.56750  1.0 1.0
   57    59    62    41  -0.07550 -1.0 2.0
   57    59    62    41   0.20000  1.0 3.0
   57    59    62    69   0.62750  1.0 1.0
   57    59    62    69  -0.30950 -1.0 2.0
   57    59    62    69   0.27300  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    70    64   0.08050  1.0 3.0
   59    57   -70    64  -0.25900  1.0 1.0
   59    57   -70    64  -0.47000 -1.0 2.0
   59    57   -70    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    70  -0.15000  1.0 1.0
   59    61   -64    70   0.89550 -1.0 2.0
   59    61   -64    70  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    41    38   0.34400  1.0 1.0
   59    62    41    38   0.09450 -1.0 2.0
   59    62    41    38   0.11100  1.0 3.0
   59    62    41    42   0.15000  1.0 3.0
   59    62    41    43   0.15000  1.0 3.0
   59    62    69    71  -0.25900  1.0 1.0
   59    62    69    71  -0.47000 -1.0 2.0
   59    62    69    71   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    41   0.15000  1.0 3.0
   60    59    62    69   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    41   0.34400  1.0 1.0
   61    59    62    41   0.09450 -1.0 2.0
   61    59    62    41   0.11100  1.0 3.0
   61    59    62    69   0.61850  1.0 1.0
   61    59    62    69  -0.22750 -1.0 2.0
   61    59    62    69   0.15300  1.0 3.0
   61    64   -70    57   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    70    57   3.00000 -1.0 2.0
   70    57    59    60   0.23400  1.0 3.0
   70    57   -59    61   0.61850  1.0 1.0
   70    57   -59    61  -0.22750 -1.0 2.0
   70    57   -59    61   0.15300  1.0 3.0
   70    57    59    62   0.62750  1.0 1.0
   70    57    59    62  -0.30950 -1.0 2.0
   70    57    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    70  -0.56150  1.0 1.0
   66    61    64    70   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    71    72   3.00000 -1.0 2.0
   62    69    71    73   2.00000 -1.0 2.0
   63    62    41    38   0.15000  1.0 3.0
   63    62    41    42   0.15000  1.0 3.0
   63    62    41    43   0.15000  1.0 3.0
   63    62    69    71   0.08050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    62    69    71  -0.25900  1.0 1.0
   41    62    69    71  -0.47000 -1.0 2.0
   41    62    69    71   0.11750  1.0 3.0
   69    62    41    38   0.61850  1.0 1.0
   69    62    41    38  -0.22750 -1.0 2.0
   69    62    41    38   0.15300  1.0 3.0
   69    62    41    42   0.23400  1.0 3.0
   69    62    41    43   0.23400  1.0 3.0
   69    71    73    74  -0.56150  1.0 1.0
   69    71    73    74   2.19150 -1.0 2.0
   69    71    73    77  -0.15000  1.0 1.0
   69    71    73    77   0.89550 -1.0 2.0
   69    71    73    77  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.15000  1.0 3.0
   71    73    77    79   0.15000  1.0 3.0
   71    73    77    80   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    77  -0.64400  1.0 1.0
   72    71    73    77   0.26850 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   40    44    39    38   1.10000 -1.0 2.0
   47    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    70    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
END
