* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    157    268     479
    1     0 S   NP   _N1_     1    28.70520    97.16971   -22.81228
    2     1 S   H    _HN1     2     1.02793   103.16549   -96.29258
    3     1 S   H    _H1_     3     1.02947    67.20233     8.36203
    4     1 S   H    _H2_     4     1.02827    44.08334   161.46899
    5     1 S   CT   _CA1     5     1.50121   142.70881   102.52299
    6     5 S   HC   _HA1     6     1.09573   105.16190    98.83339
    7     5 S   CO3  _C1_     7     1.53771   112.51214   -21.37644
    8     7 S   O2Z  _O11     8     1.26375   115.00347   -41.51518
    9     7 S   O2Z  _O12     9     1.26240   114.94698   137.55418
   10     5 S   CT   _CB1    10     1.53068   107.41375  -143.17690
   11    10 S   HC   HB11    11     1.09840   109.32941   -49.31115
   12    10 S   HC   HB12    12     1.09810   110.47084    67.28949
   13    10 S   CT   _CG1    13     1.53013   112.63776  -170.24962
   14    13 S   HC   HG11    14     1.09572   110.72903   -67.41790
   15    13 S   HC   HG12    15     1.09672   109.69807    51.82503
   16    13 S   C    _CD1    16     1.51807   112.03804   172.31553
   17    16 S   O    _OE1    17     1.22747   123.20902    12.05745
   18    16 S   N    _N2_    18     1.38627   111.78651  -167.96258
   19    18 S   H    _HN2    19     1.01582   118.99959     1.05165
   20    18 S   CT1  _CA2    20     1.46267   123.44587   176.82553
   21    20 S   HC   _HA2    21     1.09742   109.30358     7.79644
   22    20 S   C    _C2_    22     1.53728   108.98202  -107.70496
   23    22 S   O    _O2_    23     1.23087   122.22530  -150.31112
   24    20 S   CT   _CB2    32     1.53556   111.47243   129.81037
   25    24 S   HC   HB21    33     1.09306   108.93855    55.58339
   26    24 S   HC   HB22    34     1.09207   109.61789   173.84451
   27    22 S   N    _N3_    24     1.38296   113.92891    37.25425
   28    27 S   H    _HN3    25     1.01537   119.62673    -3.29134
   29    24 S   S    _SG2    35     1.83126   110.77835   -65.07320
   30    27 S   CT   _CA3    26     1.45284   123.30046   177.16856
   31    30 S   HC   HA31    27     1.09547   107.51885   -64.66767
   32    30 S   HC   HA32    28     1.09554   107.99564    51.79790
   33    29 S   CT   _C19    36     1.89503   103.44531  -174.29168
   34    30 S   CO3  _C3_    29     1.52982   114.01996   173.78688
   35    34 S   O2Z  _O31    30     1.26387   116.06648    -0.58081
   36    34 S   O2Z  _O32    31     1.26422   114.42267   179.48376
   37    33 S   CM   _C4_    37     1.51529   102.63427  -167.28799
   38    37 S   HC   _H26    38     1.09071   115.94935   -66.98922
   39    33 S   CT   _C17    62     1.55831   107.65517    69.99420
   40    39 S   HC   _H41    63     1.09597   107.46581   -30.28254
   41    37 S   CMA  _C5_    39     1.35059   127.23502   109.44792
   42    41 S   OM   _O20    40     1.26364   128.89188  -177.17451
   43    41 S   CT   _C10    41     1.53056   119.88777     3.15560
   44    43 S   HC   _H29    42     1.09840   108.44886   110.02160
   45    43 S   HC   _H30    43     1.10252   109.31016  -136.62517
   46    43 S   CT   _C20    44     1.54745   116.22883   -14.24140
   47    33 S   CT   _C18    45     1.55361   115.61251   -45.38538
   48    47 S   HC   _H42    46     1.09700   108.43913    41.23312
   49    46 S   CO3  _C9_    73     1.56353   112.68201   164.14176
   50    49 S   O2Z  _O22    74     1.26488   116.04576    17.98499
   51    49 S   O2Z  _O24    75     1.26661   115.56667  -164.50078
   52    46 S   CT   _C22    76     1.54961   108.12031   -87.59204
   53    52 S   HC   _H43    77     1.09318   112.08245    50.93788
   54    52 S   HC   _H44    78     1.09809   111.69524   -67.66381
   55    52 S   HC   _H45    79     1.09534   111.93420   172.76107
   56    47 S   CT   _C16    47     1.56656   105.15253   151.76336
   57    56 S   HC   _H40    48     1.10043   105.83414  -147.67467
   58    56 S   CT   _C21    49     1.54461   104.57440   -34.00022
   59    56 S   CO3  _C8_    70     1.54509   120.89204    95.00554
   60    59 S   O2Z  _O21    71     1.26598   114.44526   109.12654
   61    59 S   O2Z  _O23    72     1.26043   116.92090   -72.69835
   62    58 S   CT   _C11    50     1.55632   111.97206   -98.43320
   63    62 S   HC   _H31    51     1.09464   113.03313    72.86306
   64    62 S   HC   _H32    52     1.09706   110.81732   -49.43225
   65    62 S   CM   _C6_    53     1.51002   102.07059  -165.69841
   66    65 S   CT   _C15    54     1.51624   109.64327    13.68424
   67    66 S   HC   _H39    55     1.09482   111.55180   137.47912
   68    65 S   CM   _C7_    67     1.33732   124.86454  -167.06846
   69    68 S   HC   _H27    68     1.08454   121.04203  -179.60140
   70    68 S   HC   _H28    69     1.08465   121.00441     0.46140
   71    66 S   CT   _C12    56     1.54414   111.98295   -97.40888
   72    71 S   HC   _H33    57     1.09705   110.44671   -37.96115
   73    71 S   HC   _H34    58     1.09716   109.14477  -154.37407
   74    58 S   CT   _C14    64     1.54525   118.65180   147.57657
   75    74 S   HC   _H37    65     1.09857   111.27100    55.67094
   76    74 S   HC   _H38    66     1.09331   114.86836   -66.70699
   77    71 S   CT   _C13    59     1.54285   113.20262    85.41700
   78    77 S   HC   _H35    60     1.09644   108.26804    84.67813
   79    77 S   HC   _H36    61     1.09604   109.50644  -159.64006
  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  12   5   4   3
  22   2   1   1  14   5  23   9   8   4  13   5   4  13  17   6
   7   2   1   4   2   1   1  14   6  17   4   1   1  13   5   4
  12  13   8   4   1   1   8   5   4   3   1   1   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    47    48    56    58    77    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    46    47    48    56    57    58    62    71    77    78    79    39    40    74    59    49    52  
   35    36  
   36  
    0  
   38    41    42    43    44    45    46    47    48    56    58    77    39    40  
   41    42    43    47    39  
   40    74    75    76    59    41    46    47    48    56    57    58    62    63    64    65    66    71    72    73    77    78    79  
   74    47    56    58    62    71    77    78    79  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    56    49    50    51    52    53    54    55  
   45    46    47    49    52  
   46    47    49    52  
   47    48    56    57    58    59    49    50    51    52    53    54    55  
   48    56    57    58    62    77    74    59    60    61    49    50    51    52    53    54    55  
   56    57    58    59    49    52  
   50    51    52    53    54    55    56  
   51    52  
   52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    62    63    64    65    66    77    74    75    76    59    60    61  
   58    62    74    59    60    61  
   62    63    64    65    66    67    71    77    78    79    74    75    76    68    59    60    61  
   60    61    62    74  
   61  
    0  
   63    64    65    66    67    71    77    74    75    76    68    69    70  
   64    65    66    74    68  
   65    66    74    68  
   66    67    71    72    73    77    74    75    76    68    69    70  
   67    71    72    73    77    78    79    74    75    76    68    69    70  
   71    72    73    77    74    75    76    68  
   69    70    71    74  
   70  
    0  
   72    73    77    78    79    74    75    76  
   73    77    78    79    74  
   77    78    79    74  
   75    76    77  
   76  
    0  
   78    79  
   79  
    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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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
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    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    43   270.000  1.512
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   317.000  1.522
   46    52   268.000  1.529
   47    48   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    59   317.000  1.522
   58    62   268.000  1.529
   58    39   268.000  1.529
   58    74   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   317.000  1.510
   65    68   549.000  1.340
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   59    60   656.000  1.250
   59    61   656.000  1.250
   49    50   656.000  1.250
   49    51   656.000  1.250
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    56    58.35000  112.70000
   33    39    58    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    43    44    45.00000  110.52000
   41    43    45    45.00000  110.52000
   41    43    46    70.00000  112.02700
   43    41    42    85.00000  112.85300
   43    46    47    58.35000  112.70000
   43    46    49    70.00000  109.69300
   43    46    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    56    58.35000  112.70000
   46    49    50    70.00000  117.00000
   46    49    51    70.00000  117.00000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   47    33    37    70.00000  112.02700
   47    56    57    37.50000  110.70000
   47    56    58    58.35000  112.70000
   47    56    59    70.00000  109.69300
   56    47    48    37.50000  110.70000
   56    58    62    58.35000  112.70000
   56    58    39    58.35000  112.70000
   56    58    74    58.35000  112.70000
   56    59    60    70.00000  117.00000
   56    59    61    70.00000  117.00000
   58    56    57    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    70.00000  112.02700
   58    39    77    58.35000  112.70000
   58    39    40    37.50000  110.70000
   58    74    66    58.35000  112.70000
   58    74    75    37.50000  110.70000
   58    74    76    37.50000  110.70000
   62    65    66    65.00000  117.92700
   62    65    68    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  109.50000
   65    66    71    70.00000  112.02700
   65    66    74    70.00000  112.02700
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   71    66    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    39    40    37.50000  110.70000
   79    77    78    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   39    58    62    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   74    58    62    58.35000  112.70000
   74    58    39    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   68    65    66    70.00000  124.00000
   70    68    69    35.00000  117.00000
   59    56    57    35.00000  109.50000
   59    56    58    70.00000  109.69300
   61    59    60    80.00000  126.00000
   49    46    47    70.00000  109.69300
   51    49    50    80.00000  126.00000
   52    46    47    58.35000  112.70000
   52    46    49    70.00000  109.69300
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    56   0.44750  1.0 1.0
   29    33    47    56  -0.17800 -1.0 2.0
   29    33    47    56   0.20200  1.0 3.0
   29    33    39    58   0.44750  1.0 1.0
   29    33    39    58  -0.17800 -1.0 2.0
   29    33    39    58   0.20200  1.0 3.0
   29    33    39    77   0.44750  1.0 1.0
   29    33    39    77  -0.17800 -1.0 2.0
   29    33    39    77   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    47    56    57   0.15000  1.0 3.0
   33    47   -56    58   0.56750  1.0 1.0
   33    47   -56    58  -0.07550 -1.0 2.0
   33    47   -56    58   0.20000  1.0 3.0
   33    47    56    59  -1.63150  1.0 1.0
   33    47    56    59  -0.43550 -1.0 2.0
   33    47    56    59   0.24500  1.0 3.0
   37    33    47    46   0.34400  1.0 1.0
   37    33    47    46   0.09450 -1.0 2.0
   37    33    47    46   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    56   0.34400  1.0 1.0
   37    33    47    56   0.09450 -1.0 2.0
   37    33    47    56   0.11100  1.0 3.0
   37    33    39    58   0.34400  1.0 1.0
   37    33    39    58   0.09450 -1.0 2.0
   37    33    39    58   0.11100  1.0 3.0
   37    33    39    77   0.34400  1.0 1.0
   37    33    39    77   0.09450 -1.0 2.0
   37    33    39    77   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    41    43    44   0.00000  1.0 1.0
   37    41    43    45   0.00000  1.0 1.0
   37    41   -43    46   0.09850  1.0 1.0
   37    41   -43    46   0.15250 -1.0 2.0
   37    41   -43    46  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    46    47   0.34400  1.0 1.0
   41    43    46    47   0.09450 -1.0 2.0
   41    43    46    47   0.11100  1.0 3.0
   41    43    46    49  -0.98800  1.0 1.0
   41    43    46    49   0.48800 -1.0 2.0
   41    43    46    49   0.76800  1.0 3.0
   41    43    46    52   0.34400  1.0 1.0
   41    43    46    52   0.09450 -1.0 2.0
   41    43    46    52   0.11100  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.09700  1.0 1.0
   42    41    43    46   0.15600 -1.0 2.0
   42    41    43    46  -0.50800  1.0 3.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    56   0.56750  1.0 1.0
   43    46    47    56  -0.07550 -1.0 2.0
   43    46    47    56   0.20000  1.0 3.0
   43    46    49    50   0.41150 -1.0 2.0
   43    46    49    51   0.41150 -1.0 2.0
   43    46    52    53   0.15000  1.0 3.0
   43    46    52    54   0.15000  1.0 3.0
   43    46    52    55   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49  -0.11250  1.0 3.0
   44    43    46    52   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49  -0.11250  1.0 3.0
   45    43    46    52   0.15000  1.0 3.0
   46    47    56    57   0.15000  1.0 3.0
   46    47    56    58   0.56750  1.0 1.0
   46    47    56    58  -0.07550 -1.0 2.0
   46    47    56    58   0.20000  1.0 3.0
   46    47    56    59  -1.63150  1.0 1.0
   46    47    56    59  -0.43550 -1.0 2.0
   46    47    56    59   0.24500  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    41   0.09850  1.0 1.0
   47    33   -37    41   0.15250 -1.0 2.0
   47    33   -37    41  -0.50650  1.0 3.0
   47    33   -39    58   0.56750  1.0 1.0
   47    33   -39    58  -0.07550 -1.0 2.0
   47    33   -39    58   0.20000  1.0 3.0
   47    33    39    77   0.56750  1.0 1.0
   47    33    39    77  -0.07550 -1.0 2.0
   47    33    39    77   0.20000  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    46    49    50   0.41150 -1.0 2.0
   47    46    49    51   0.41150 -1.0 2.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   47    56    58    62   0.56750  1.0 1.0
   47    56    58    62  -0.07550 -1.0 2.0
   47    56    58    62   0.20000  1.0 3.0
   47    56   -58    39   0.56750  1.0 1.0
   47    56   -58    39  -0.07550 -1.0 2.0
   47    56   -58    39   0.20000  1.0 3.0
   47    56    58    74   0.56750  1.0 1.0
   47    56    58    74  -0.07550 -1.0 2.0
   47    56    58    74   0.20000  1.0 3.0
   47    56    59    60   0.41150 -1.0 2.0
   47    56    59    61   0.41150 -1.0 2.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    59  -0.11250  1.0 3.0
   56    58    62    63   0.15000  1.0 3.0
   56    58    62    64   0.15000  1.0 3.0
   56    58    62    65   0.34400  1.0 1.0
   56    58    62    65   0.09450 -1.0 2.0
   56    58    62    65   0.11100  1.0 3.0
   56    58   -39    33   0.56750  1.0 1.0
   56    58   -39    33  -0.07550 -1.0 2.0
   56    58   -39    33   0.20000  1.0 3.0
   56    58    39    77   0.56750  1.0 1.0
   56    58    39    77  -0.07550 -1.0 2.0
   56    58    39    77   0.20000  1.0 3.0
   56    58    39    40   0.15000  1.0 3.0
   56    58    74    66   0.56750  1.0 1.0
   56    58    74    66  -0.07550 -1.0 2.0
   56    58    74    66   0.20000  1.0 3.0
   56    58    74    75   0.15000  1.0 3.0
   56    58    74    76   0.15000  1.0 3.0
   57    56    58    62   0.15000  1.0 3.0
   57    56    58    39   0.15000  1.0 3.0
   57    56    58    74   0.15000  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.41150 -1.0 2.0
   58    56    59    61   0.41150 -1.0 2.0
   58    62   -65    66   0.46850  1.0 1.0
   58    62   -65    66   0.08550 -1.0 2.0
   58    62   -65    66   0.09800  1.0 3.0
   58    62    65    68   0.09850  1.0 1.0
   58    62    65    68   0.15250 -1.0 2.0
   58    62    65    68  -0.50650  1.0 3.0
   62    58    39    33   0.56750  1.0 1.0
   62    58    39    33  -0.07550 -1.0 2.0
   62    58    39    33   0.20000  1.0 3.0
   62    58    39    77   0.56750  1.0 1.0
   62    58    39    77  -0.07550 -1.0 2.0
   62    58    39    77   0.20000  1.0 3.0
   62    58    39    40   0.15000  1.0 3.0
   62    58   -74    66   0.56750  1.0 1.0
   62    58   -74    66  -0.07550 -1.0 2.0
   62    58   -74    66   0.20000  1.0 3.0
   62    58    74    75   0.15000  1.0 3.0
   62    58    74    76   0.15000  1.0 3.0
   62    65    66    67   0.34800  1.0 3.0
   62    65    66    71   0.46850  1.0 1.0
   62    65    66    71   0.08550 -1.0 2.0
   62    65    66    71   0.09800  1.0 3.0
   62    65   -66    74   0.46850  1.0 1.0
   62    65   -66    74   0.08550 -1.0 2.0
   62    65   -66    74   0.09800  1.0 3.0
   62    65    68    69   7.00000 -1.0 2.0
   62    65    68    70   7.00000 -1.0 2.0
   63    62    65    66   0.34800  1.0 3.0
   63    62    65    68   0.00000  1.0 1.0
   64    62    65    66   0.34800  1.0 3.0
   64    62    65    68   0.00000  1.0 1.0
   65    66    71    72   0.15000  1.0 3.0
   65    66    71    73   0.15000  1.0 3.0
   65    66    71    77   0.34400  1.0 1.0
   65    66    71    77   0.09450 -1.0 2.0
   65    66    71    77   0.11100  1.0 3.0
   65    66   -74    58   0.34400  1.0 1.0
   65    66   -74    58   0.09450 -1.0 2.0
   65    66   -74    58   0.11100  1.0 3.0
   65    66    74    75   0.15000  1.0 3.0
   65    66    74    76   0.15000  1.0 3.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    79   0.15000  1.0 3.0
   66    71    77    39   0.56750  1.0 1.0
   66    71    77    39  -0.07550 -1.0 2.0
   66    71    77    39   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   67    66    74    58   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   71    66    74    58   0.56750  1.0 1.0
   71    66    74    58  -0.07550 -1.0 2.0
   71    66    74    58   0.20000  1.0 3.0
   71    66    74    75   0.15000  1.0 3.0
   71    66    74    76   0.15000  1.0 3.0
   71    77    39    33   0.56750  1.0 1.0
   71    77    39    33  -0.07550 -1.0 2.0
   71    77    39    33   0.20000  1.0 3.0
   71    77   -39    58   0.56750  1.0 1.0
   71    77   -39    58  -0.07550 -1.0 2.0
   71    77   -39    58   0.20000  1.0 3.0
   71    77    39    40   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    39   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    39   0.15000  1.0 3.0
   78    77    39    33   0.15000  1.0 3.0
   78    77    39    58   0.15000  1.0 3.0
   78    77    39    40   0.15000  1.0 3.0
   79    77    39    33   0.15000  1.0 3.0
   79    77    39    58   0.15000  1.0 3.0
   79    77    39    40   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    47    46   0.56750  1.0 1.0
   39    33    47    46  -0.07550 -1.0 2.0
   39    33    47    46   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33   -47    56   0.56750  1.0 1.0
   39    33   -47    56  -0.07550 -1.0 2.0
   39    33   -47    56   0.20000  1.0 3.0
   39    58    62    63   0.15000  1.0 3.0
   39    58    62    64   0.15000  1.0 3.0
   39    58    62    65   0.34400  1.0 1.0
   39    58    62    65   0.09450 -1.0 2.0
   39    58    62    65   0.11100  1.0 3.0
   39    58   -74    66   0.56750  1.0 1.0
   39    58   -74    66  -0.07550 -1.0 2.0
   39    58   -74    66   0.20000  1.0 3.0
   39    58    74    75   0.15000  1.0 3.0
   39    58    74    76   0.15000  1.0 3.0
   74    58    62    63   0.15000  1.0 3.0
   74    58    62    64   0.15000  1.0 3.0
   74    58   -62    65   0.34400  1.0 1.0
   74    58   -62    65   0.09450 -1.0 2.0
   74    58   -62    65   0.11100  1.0 3.0
   74    58    39    33   0.56750  1.0 1.0
   74    58    39    33  -0.07550 -1.0 2.0
   74    58    39    33   0.20000  1.0 3.0
   74    58    39    77   0.56750  1.0 1.0
   74    58    39    77  -0.07550 -1.0 2.0
   74    58    39    77   0.20000  1.0 3.0
   74    58    39    40   0.15000  1.0 3.0
   74    66    71    72   0.15000  1.0 3.0
   74    66    71    73   0.15000  1.0 3.0
   74    66   -71    77   0.56750  1.0 1.0
   74    66   -71    77  -0.07550 -1.0 2.0
   74    66   -71    77   0.20000  1.0 3.0
   68    65    66    67   0.00000  1.0 1.0
   68    65    66    71   0.09850  1.0 1.0
   68    65    66    71   0.15250 -1.0 2.0
   68    65    66    71  -0.50650  1.0 3.0
   68    65    66    74   0.09850  1.0 1.0
   68    65    66    74   0.15250 -1.0 2.0
   68    65    66    74  -0.50650  1.0 3.0
   59    56    58    62  -1.63150  1.0 1.0
   59    56    58    62  -0.43550 -1.0 2.0
   59    56    58    62   0.24500  1.0 3.0
   59    56    58    39  -1.63150  1.0 1.0
   59    56    58    39  -0.43550 -1.0 2.0
   59    56    58    39   0.24500  1.0 3.0
   59    56    58    74  -1.63150  1.0 1.0
   59    56    58    74  -0.43550 -1.0 2.0
   59    56    58    74   0.24500  1.0 3.0
   49    46    47    33  -1.63150  1.0 1.0
   49    46    47    33  -0.43550 -1.0 2.0
   49    46    47    33   0.24500  1.0 3.0
   49    46    47    48  -0.11250  1.0 3.0
   49    46    47    56  -1.63150  1.0 1.0
   49    46    47    56  -0.43550 -1.0 2.0
   49    46    47    56   0.24500  1.0 3.0
   49    46    52    53  -0.11250  1.0 3.0
   49    46    52    54  -0.11250  1.0 3.0
   49    46    52    55  -0.11250  1.0 3.0
   52    46    47    33   0.56750  1.0 1.0
   52    46    47    33  -0.07550 -1.0 2.0
   52    46    47    33   0.20000  1.0 3.0
   52    46    47    48   0.15000  1.0 3.0
   52    46    47    56   0.56750  1.0 1.0
   52    46    47    56  -0.07550 -1.0 2.0
   52    46    47    56   0.20000  1.0 3.0
   52    46    49    50   0.41150 -1.0 2.0
   52    46    49    51   0.41150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   62    66    65    68   1.10000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
   50    46    49    51  10.50000 -1.0 2.0
END
