* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    232     419
    1     0 S   NP   _N1_     1    28.91032    96.55582   -25.41800
    2     1 S   H    _HN1     2     1.02825    34.90466   178.80090
    3     1 S   H    _H1_     3     1.02802   120.74956  -104.41143
    4     1 S   H    _H2_     4     1.02947    72.23363    -3.20363
    5     1 S   CT   _CA1     5     1.50131   123.08261   100.02795
    6     5 S   HC   _HA1     6     1.09572   105.15607    96.18402
    7     5 S   CO3  _C1_     7     1.53752   112.42071   -24.05083
    8     7 S   O2Z  _O11     8     1.26379   115.00493   -43.72465
    9     7 S   O2Z  _O12     9     1.26226   114.93234   135.20625
   10     5 S   CT   _CB1    10     1.53038   107.39277  -145.85321
   11    10 S   HC   HB11    11     1.09850   109.32479   -49.12858
   12    10 S   HC   HB12    12     1.09811   110.48538    67.44304
   13    10 S   CT   _CG1    13     1.53056   112.67579  -170.02642
   14    13 S   HC   HG11    14     1.09559   110.82167   -68.04443
   15    13 S   HC   HG12    15     1.09663   109.64703    51.23088
   16    13 S   C    _CD1    16     1.51820   111.69968   171.79661
   17    16 S   O    _OE1    17     1.22786   123.01579    16.90508
   18    16 S   N    _N2_    18     1.38608   112.00447  -163.02738
   19    18 S   H    _HN2    19     1.01577   119.16184     0.27554
   20    18 S   CT1  _CA2    20     1.46336   123.39669   176.34398
   21    20 S   HC   _HA2    21     1.09748   109.07959    10.82002
   22    20 S   C    _C2_    22     1.53854   109.30614  -104.64083
   23    22 S   O    _O2_    23     1.23097   122.25084  -152.90780
   24    20 S   CT   _CB2    32     1.53523   111.62492   132.63037
   25    24 S   HC   HB21    33     1.09424   109.28401    56.31017
   26    24 S   HC   HB22    34     1.09401   109.69381   175.84659
   27    22 S   N    _N3_    24     1.38329   114.07983    34.71022
   28    27 S   H    _HN3    25     1.01494   119.58727    -3.60750
   29    24 S   S    _SG2    35     1.82610   111.04874   -63.41424
   30    27 S   CT   _CA3    26     1.45267   123.36613   177.09937
   31    30 S   HC   HA31    27     1.09548   107.54552   -63.94227
   32    30 S   HC   HA32    28     1.09554   107.97096    52.52902
   33    29 S   CT   _C20    36     1.84652   102.84808  -169.20105
   34    33 S   OM   _O39    37     1.31823   109.92779    70.81307
   35    30 S   CO3  _C3_    29     1.52993   114.00270   174.47973
   36    35 S   O2Z  _O31    30     1.26397   116.09334    -0.93251
   37    35 S   O2Z  _O32    31     1.26430   114.42460   179.12062
   38    33 S   CM   _C21    38     1.51470   113.93110   -56.33550
   39    33 S   CO4  _C19    71     1.54081   106.38751  -173.02740
   40    39 S   O    _O36    72     1.23611   123.37961  -109.45589
   41    38 S   CMA  _C23    39     1.36615   126.74072   -85.57998
   42    41 S   OM   _O38    40     1.27333   127.83586  -179.28838
   43    38 S   C    _C22    73     1.51118   118.29446    98.42986
   44    43 S   O    _O37    74     1.22596   123.19334   -81.14290
   45    41 S   CT   _C16    41     1.57950   119.39091    -1.60144
   46    45 S   OM   _O40    42     1.33135   109.71481   112.39114
   47    43 S   N    _N4_    75     1.37742   112.88318    98.80454
   48    47 S   H    _H13    76     1.01395   121.55313     0.96205
   49    47 S   H    _H14    77     1.01206   120.62544   179.80021
   50    45 S   CO4  _C15    43     1.56115   109.37407  -132.20282
   51    50 S   O    _O35    44     1.23190   125.49192   -79.67668
   52    50 S   CA   _C7_    45     1.48216   117.70766    97.74918
   53    52 S   CA   _C6_    46     1.38878   117.11365    45.19781
   54    53 S   CA   _C5_    47     1.41641   119.11329   173.05474
   55    53 S   CT   _C18    66     1.51157   116.86413    -5.14651
   56    55 S   HC   _H11    67     1.09744   108.72798    77.93232
   57    55 S   HC   _H12    68     1.09448   111.80870  -164.35394
   58    54 S   CA   _C10    48     1.45348   121.10646     9.69698
   59    54 S   CT   _C4_    62     1.51376   117.32324  -168.42255
   60    59 S   HC   _H4_    63     1.09336   110.80932   -95.66323
   61    59 S   HC   _H5_    64     1.09449   112.10935    25.76601
   62    59 S   HC   _H6_    65     1.09350   110.95324   140.09125
   63    45 S   CT   _C17    69     1.56552   115.98157    -7.26104
   64    63 S   HC   _H3_    70     1.10201   111.02884   100.12438
   65    58 S   CA   _C9_    49     1.43403   117.50139   -10.64096
   66    65 S   CA   _C14    50     1.42739   118.90891  -175.20662
   67    52 S   CA   _C8_    59     1.39689   121.94384  -139.00189
   68    66 S   CA   _C13    51     1.39040   122.82050    -1.99312
   69    68 S   HA   _H8_    52     1.08594   121.40323  -179.80617
   70    66 S   OH   _O33    57     1.37561   120.41734   178.04135
   71    70 S   HO   _H9_    58     0.97142   109.63514   179.51302
   72    67 S   OH   _O34    60     1.37676   119.28844     3.37858
   73    72 S   HO   _H10    61     0.97380   109.69188    -3.78822
   74    68 S   CA   _C12    53     1.37746   119.07378    -1.55721
   75    74 S   HA   _H7_    54     1.08783   118.77663  -177.11262
   76    58 S   CA   _C11    55     1.44221   126.54831   169.13025
   77    76 S   Cl   Cl1_    56     1.74004   124.15492    -9.83657
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13  12   4  12   5   5   3  11   6   2   1
   1  10   4  13  15  15   7   3   2  14   5   2   1   1   1   1
  11   9   5   7   4   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    55    63    64    39    40    43    44    47  
   38    41    63    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    50    63    39    40    43    44    47    48    49  
   40    43    41    45    46    50    53    55    56    57    63    64  
   45    55    63    64  
   42    45    46    50    51    52    55    63    64    43    44    47  
   45    46    50    63    43  
   44    47    48    49    45  
   47    48    49  
   46    50    51    52    53    67    55    56    57    63    64  
   50    51    52    55    63    64  
   48    49  
   49  
    0  
   51    52    53    54    65    67    72    55    63    64  
   52    53    67    63  
   53    54    58    65    66    67    72    73    59    55    56    57    63  
   54    58    65    76    67    72    59    60    61    62    55    56    57    63    64  
   58    65    66    74    76    77    67    59    60    61    62    55    56    57    63  
   56    57    63    64    58    59    67  
   57    63    64  
   63    64  
   65    66    68    74    75    76    77    70    67    72    59    60    61    62  
   60    61    62    65    76  
   61    62  
   62  
    0  
   64  
    0  
   66    68    69    74    76    77    70    71    67    72    73  
   68    69    74    75    76    70    71    67    72  
   72    73    68    70    76  
   69    74    75    76    77    70    71  
   74    75    76    70  
   71    74  
    0  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   570.000  1.307
   45    50   317.000  1.522
   45    63   268.000  1.529
   50    51   570.000  1.229
   50    52   310.000  1.470
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   469.000  1.400
   53    55   317.000  1.510
   54    58   469.000  1.400
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    76   469.000  1.400
   65    66   469.000  1.400
   65    67   469.000  1.400
   66    68   469.000  1.400
   66    70   450.000  1.364
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   70    71   553.000  0.945
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    39   317.000  1.522
   39    40   570.000  1.229
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    63    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    47    80.00000  111.56200
   41    45    46    85.00000  110.90400
   41    45    50    70.00000  109.06800
   41    45    63    70.00000  112.02700
   45    41    42    85.00000  112.85300
   45    50    51    80.00000  120.40000
   45    50    52    65.00000  115.47100
   45    63    55    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    39    63.00000  111.10000
   50    45    46    90.00000  108.74100
   50    52    53    60.00000  119.52600
   50    52    67    60.00000  119.52600
   52    50    51    75.00000  123.78400
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.00000
   52    67    65    63.00000  120.00000
   52    67    72    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.17500
   54    58    65    63.00000  120.00000
   54    58    76    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    66    63.00000  120.00000
   58    65    67    63.00000  120.00000
   58    76    74    63.00000  120.00000
   58    76    77    75.00000  120.00000
   65    66    68    63.00000  120.00000
   65    66    70    70.00000  120.00000
   65    67    72    70.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    74    63.00000  120.00000
   66    70    71    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    58    65    63.00000  120.00000
   76    74    75    35.00000  120.00000
   70    66    68    70.00000  120.00000
   67    52    53    63.00000  120.00000
   67    65    66    63.00000  120.00000
   67    72    73    35.00000  113.00000
   59    54    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    39    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    45    46    50.00000  109.50000
   63    45    50    63.00000  111.10000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    63    64    35.00000  109.50000
   43    38    41    60.00000  120.04000
   43    47    48    35.00000  119.80000
   43    47    49    35.00000  119.80000
   47    43    44    80.00000  122.90000
   49    47    48    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    63   0.65300  1.0 1.0
   29    33    39    63  -0.03850 -1.0 2.0
   29    33    39    63   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    47   1.59650  1.0 1.0
   33    38    43    47   0.42750 -1.0 2.0
   33    38    43    47  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    63   0.55300  1.0 1.0
   34    33    39    63   1.25850 -1.0 2.0
   34    33    39    63  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    63   0.65300  1.0 1.0
   38    33    39    63  -0.03850 -1.0 2.0
   38    33    39    63   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    46   0.39000  1.0 1.0
   38    41    45    46  -0.05800 -1.0 2.0
   38    41    45    46  -0.55150  1.0 3.0
   38    41    45    50  -0.51250  1.0 1.0
   38    41    45    50  -0.88800 -1.0 2.0
   38    41    45    50   0.08850  1.0 3.0
   38    41   -45    63   0.09850  1.0 1.0
   38    41   -45    63   0.15250 -1.0 2.0
   38    41   -45    63  -0.50650  1.0 3.0
   38    43    47    48   2.56700 -1.0 2.0
   38    43    47    49   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    47   0.49500  1.0 1.0
   41    38    43    47   1.31600 -1.0 2.0
   41    38    43    47  -0.02300  1.0 3.0
   41    45    50    51   0.30150 -1.0 2.0
   41    45    50    52   0.65300  1.0 1.0
   41    45    50    52  -0.03850 -1.0 2.0
   41    45    50    52   0.33900  1.0 3.0
   41    45    63    55   0.34400  1.0 1.0
   41    45    63    55   0.09450 -1.0 2.0
   41    45    63    55   0.11100  1.0 3.0
   41    45    63    64   0.15000  1.0 3.0
   41    45    63    39  -0.98800  1.0 1.0
   41    45    63    39   0.48800 -1.0 2.0
   41    45    63    39   0.76800  1.0 3.0
   42    41    45    46   0.09700  1.0 1.0
   42    41    45    46   0.15600 -1.0 2.0
   42    41    45    46  -0.50800  1.0 3.0
   42    41    45    50   0.09700  1.0 1.0
   42    41    45    50   0.15600 -1.0 2.0
   42    41    45    50  -0.50800  1.0 3.0
   42    41    45    63   0.09700  1.0 1.0
   42    41    45    63   0.15600 -1.0 2.0
   42    41    45    63  -0.50800  1.0 3.0
   45    50    52    53   2.26350  1.0 1.0
   45    50    52    53   0.76750 -1.0 2.0
   45    50    52    53   0.22500  1.0 3.0
   45    50    52    67   2.26350  1.0 1.0
   45    50    52    67   0.76750 -1.0 2.0
   45    50    52    67   0.22500  1.0 3.0
   45    63   -39    33   0.60050  1.0 1.0
   45    63   -39    33   0.05600 -1.0 2.0
   45    63   -39    33   0.26150  1.0 3.0
   45    63    39    40   0.30150 -1.0 2.0
   46    45    50    51   0.30150 -1.0 2.0
   46    45    50    52   0.65300  1.0 1.0
   46    45    50    52  -0.03850 -1.0 2.0
   46    45    50    52   0.33900  1.0 3.0
   46    45    63    55   0.62750  1.0 1.0
   46    45    63    55  -0.30950 -1.0 2.0
   46    45    63    55   0.27300  1.0 3.0
   46    45    63    64   0.23400  1.0 3.0
   46    45    63    39  -0.09450  1.0 1.0
   46    45    63    39  -1.12950 -1.0 2.0
   46    45    63    39   0.54000  1.0 3.0
   50    45    63    55  -0.95700  1.0 1.0
   50    45    63    55  -0.18200 -1.0 2.0
   50    45    63    55   0.29450  1.0 3.0
   50    45    63    64  -0.11250  1.0 3.0
   50    45    63    39   0.11950  1.0 1.0
   50    45    63    39   0.20300 -1.0 2.0
   50    45    63    39  -0.70800  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    55   3.62500 -1.0 2.0
   50    52    67    65   3.62500 -1.0 2.0
   50    52    67    72   3.62500 -1.0 2.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    67   1.05000 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    54    59   3.62500 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.04150 -1.0 2.0
   52    67    72    73   0.84100 -1.0 2.0
   53    52    67    65   3.62500 -1.0 2.0
   53    52    67    72   3.62500 -1.0 2.0
   53    54   -58    65   3.62500 -1.0 2.0
   53    54    58    76   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    45  -0.03700  1.0 1.0
   53    55   -63    45   0.37200 -1.0 2.0
   53    55   -63    45  -0.47300  1.0 3.0
   53    55    63    64   0.43200  1.0 3.0
   53    55    63    39   0.56750  1.0 1.0
   53    55    63    39  -0.07550 -1.0 2.0
   53    55    63    39   0.20000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.04150 -1.0 2.0
   54    58    65    66   3.62500 -1.0 2.0
   54    58    65    67   3.62500 -1.0 2.0
   54    58    76    74   3.62500 -1.0 2.0
   54    58    76    77   3.62500 -1.0 2.0
   58    54    59    60   0.00000  1.0 1.0
   58    54    59    61   0.00000  1.0 1.0
   58    54    59    62   0.00000  1.0 1.0
   58    65    66    68   3.62500 -1.0 2.0
   58    65    66    70   3.62500 -1.0 2.0
   58    65   -67    52   3.62500 -1.0 2.0
   58    65    67    72   3.62500 -1.0 2.0
   65    58    76    74   3.62500 -1.0 2.0
   65    58    76    77   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66   -68    74   3.62500 -1.0 2.0
   65    66    70    71   0.84100 -1.0 2.0
   65    67    72    73   0.84100 -1.0 2.0
   66    65    67    52   3.62500 -1.0 2.0
   66    65    67    72   3.62500 -1.0 2.0
   66    68    74    75   3.62500 -1.0 2.0
   66    68    74    76   3.62500 -1.0 2.0
   68    66    70    71   0.84100 -1.0 2.0
   68    74   -76    58   3.62500 -1.0 2.0
   68    74    76    77   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   75    74    76    58   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    58   -65    66   3.62500 -1.0 2.0
   76    58    65    67   3.62500 -1.0 2.0
   70    66    68    69   3.62500 -1.0 2.0
   70    66    68    74   3.62500 -1.0 2.0
   67    52   -53    54   3.62500 -1.0 2.0
   67    52    53    55   3.62500 -1.0 2.0
   67    65    66    68   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    76   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   55    63    39    33   0.60050  1.0 1.0
   55    63    39    33   0.05600 -1.0 2.0
   55    63    39    33   0.26150  1.0 3.0
   55    63    39    40   0.30150 -1.0 2.0
   56    55    63    45   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    39  -0.11250  1.0 3.0
   57    55    63    45   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    39  -0.11250  1.0 3.0
   63    45    50    51   0.30150 -1.0 2.0
   63    45   -50    52   0.05850 -1.0 2.0
   63    45   -50    52   0.17250  1.0 3.0
   64    63    39    33   0.00000  1.0 1.0
   64    63    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    47    48   2.45000 -1.0 2.0
   44    43    47    49   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    52    50    51  10.50000 -1.0 2.0
   53    67    52    50   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   58    59    54    53   4.00000 -1.0 2.0
   65    76    58    54   4.00000 -1.0 2.0
   66    67    65    58   4.00000 -1.0 2.0
   68    70    66    65   4.00000 -1.0 2.0
   74    69    68    66   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   74    77    76    58   4.00000 -1.0 2.0
   65    72    67    52   4.00000 -1.0 2.0
   33    63    39    40  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   49    43    47    48   1.00000 -1.0 2.0
END
