* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    153    239     455
    1     0 S   NP   _N1_     1    28.69862    94.39136   -21.01953
    2     1 S   H    _HN1     2     1.02836    30.98082   158.30423
    3     1 S   H    _H1_     3     1.02776    91.69866   -78.41350
    4     1 S   H    _H2_     4     1.02954    88.14503    29.93350
    5     1 S   CT   _CA1     5     1.50154   141.53108   151.18804
    6     5 S   HC   _HA1     6     1.09583   105.12248    62.95811
    7     5 S   CO3  _C1_     7     1.53703   112.60356   -56.94617
    8     7 S   O2Z  _O11     8     1.26349   114.98720   -37.37918
    9     7 S   O2Z  _O12     9     1.26235   114.98384   141.72548
   10     5 S   CT   _CB1    10     1.53113   107.40467  -179.21242
   11    10 S   HC   HB11    11     1.09809   109.00046   -50.54010
   12    10 S   HC   HB12    12     1.09814   110.53539    65.96670
   13    10 S   CT   _CG1    13     1.52998   112.74721  -171.75240
   14    13 S   HC   HG11    14     1.09591   110.35912   -68.56821
   15    13 S   HC   HG12    15     1.09594   109.77877    50.52938
   16    13 S   C    _CD1    16     1.51868   112.53455   170.27850
   17    16 S   O    _OE1    17     1.22722   123.25436    -6.82849
   18    16 S   N    _N2_    18     1.38632   111.72405   174.04372
   19    18 S   H    _HN2    19     1.01548   118.93516    -1.80428
   20    18 S   CT1  _CA2    20     1.46275   123.52287   179.42359
   21    20 S   HC   _HA2    21     1.09697   109.36389    -8.47491
   22    20 S   C    _C2_    22     1.53408   108.26268  -124.59098
   23    22 S   O    _O2_    23     1.23026   122.13602  -146.88963
   24    20 S   CT   _CB2    32     1.53460   111.64405   113.64846
   25    24 S   HC   HB21    33     1.09324   109.33003    64.21417
   26    24 S   HC   HB22    34     1.09532   110.47231  -178.12988
   27    22 S   N    _N3_    24     1.38441   113.57178    39.91021
   28    27 S   H    _HN3    25     1.01523   118.90504     0.42197
   29    24 S   S    _SG2    35     1.82495   111.48310   -58.27164
   30    27 S   CT   _CA3    26     1.45418   123.48318   176.37231
   31    30 S   HC   HA31    27     1.09522   109.26168    23.92696
   32    30 S   HC   HA32    28     1.09496   107.10772   140.87385
   33    29 S   CT   _C11    36     1.82637   100.44409   145.84555
   34    33 S   HC   _H3_    37     1.09577   105.08006    69.55001
   35    30 S   CO3  _C3_    29     1.52876   113.04712   -99.65815
   36    35 S   O2Z  _O31    30     1.26399   115.33065   -45.82935
   37    35 S   O2Z  _O32    31     1.26337   114.99254   135.08351
   38    33 S   CM   _C6_    38     1.51190   110.70129  -172.54849
   39    33 S   OS   _O18    51     1.42949   115.85181   -45.57585
   40    38 S   CT   _C10    39     1.51518   116.79706    87.20160
   41    40 S   HC   _H32    40     1.10213   108.35193   147.45502
   42    38 S   CMA  _C7_    80     1.35610   120.91781   -96.12553
   43    42 S   OM   _O17    81     1.25981   132.93759  -178.64261
   44    42 S   HC   _H28    82     1.09219   112.59503     1.94983
   45    40 S   CT   _C8_    41     1.53812   114.50569   -93.62873
   46    45 S   HC   _H29    42     1.09300   114.00076    32.01825
   47    45 S   HC   _H30    43     1.09499   110.71847   -90.49306
   48    45 S   CM   _C4_    44     1.49141   102.60670   150.96432
   49    48 S   HC   _H27    45     1.08093   123.13185   166.60750
   50    48 S   CM   _C5_    46     1.33934   112.22007   -14.55455
   51    40 S   CT   _C9_    47     1.54639   115.05859    29.36367
   52    51 S   HC   _H31    48     1.09826   108.37321    93.32186
   53    50 S   CT   _C18    75     1.48944   125.78557  -179.00535
   54    53 S   HC   _H40    76     1.09413   110.65333   114.72537
   55    53 S   HC   _H41    77     1.09457   111.36590    -5.86384
   56    51 S   CO   _C16    49     1.53517   114.68207   -29.55850
   57    56 S   HC   _H38    50     1.09547   111.23710   -79.19406
   58    53 S   OH   _O23    78     1.42056   109.41432  -125.27403
   59    58 S   HO   _H47    79     0.97209   106.79566  -178.64376
   60    56 S   OS1  _O25    52     1.43557   106.71459   162.86255
   61    60 S   CO1  _C17    53     1.43233   114.07797   171.75612
   62    61 S   HC   _H39    54     1.09677   109.58133    40.58470
   63    61 S   CT   _C14    55     1.53447   106.44031   159.16352
   64    63 S   HC   _H36    56     1.09690   110.06561    52.71626
   65    63 S   CT   _C12    57     1.52767   111.26427   174.83935
   66    65 S   HC   _H34    58     1.09659   110.44799    71.99811
   67    63 S   OH5  _O22    73     1.43005   109.96396   -64.03679
   68    67 S   HO   _H46    74     0.97226   108.22531   -57.87992
   69    65 S   CT   _C13    59     1.52859   110.75820   -50.74334
   70    69 S   HC   _H35    60     1.09649   108.65290   -70.89764
   71    65 S   OH5  _O20    71     1.42945   109.68550  -171.88054
   72    71 S   HO   _H44    72     0.97249   108.12505    60.52685
   73    69 S   CT   _C15    61     1.53481   110.76483    50.83560
   74    73 S   HC   _H37    62     1.09796   110.11624    64.99238
   75    69 S   OH5  _O21    69     1.42688   109.64336   172.53644
   76    75 S   HO   _H45    70     0.97251   108.23233   -58.22531
   77    61 S   OS1  _O19    63     1.43025   110.75800   -80.56758
   78    73 S   CT   _C19    64     1.53281   111.81411  -175.83858
   79    78 S   HC   _H42    65     1.09443   110.99916   -63.03981
   80    78 S   HC   _H43    66     1.09218   110.55711   176.21607
   81    78 S   OH5  _O24    67     1.42276   110.55039    57.32639
   82    81 S   HO   _H48    68     0.97232   107.16638   177.68785
  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   7   5   4   3
  13   5   2   1   1  14   9  16   9   4   1   1   9   5   4   9
   3  10   9   4   5   3   2   6   2   1   1   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   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    40    56    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    51    56    57    39    60    42    43    44  
   38    40    56    39    42  
   36    37  
   37  
    0  
   40    41    45    46    47    48    50    51    52    56    39    42    43    44  
   60    61    42    40    50    51    52    56    57  
   41    45    46    47    48    49    50    51    52    56    57    60    53    42    43    44  
   45    46    47    48    50    51    52    56    42  
   43    44    45    51  
   44  
    0  
   46    47    48    49    50    51    52    56    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    56    53    54    55    58  
   50    51    53  
   51    52    56    57    60    53    54    55    58    59  
   52    56    57    60    61    53    54    55    58  
   56    57    60    53  
   54    55    58    59    56  
   55    58    59  
   58    59  
   57    60    61    62    63    77  
   60    61  
   59  
    0  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    51   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    56   250.000  1.527
   56    57   340.000  1.090
   56    39   320.000  1.380
   56    60   320.000  1.380
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   320.000  1.410
   58    59   553.000  0.945
   42    43   745.000  1.250
   42    44   335.000  1.111
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    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    56    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    45    70.00000  112.02700
   38    40    51    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    70.00000  112.02700
   40    51    50    70.00000  112.02700
   40    51    52    37.50000  110.70000
   40    51    56    75.00000  109.43000
   45    40    41    37.50000  110.70000
   45    48    49    35.00000  117.00000
   45    48    50    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    70.00000  124.00000
   48    50    53    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    90.00000  110.39200
   51    40    41    37.50000  110.70000
   51    40    45    58.35000  112.70000
   51    56    57    45.00000  112.01100
   51    56    39    90.00000  108.56700
   51    56    60    90.00000  108.56700
   56    51    52    45.00000  108.72000
   56    60    61    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    56    57    35.00000  109.50000
   60    56    57    35.00000  109.50000
   60    56    39    92.60000  111.55000
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   53    50    51    65.00000  117.92700
   53    58    59    55.00000  108.50000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   42    38    40    70.00000  124.00000
   44    42    43    50.00000  124.16400
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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    56   0.14700  1.0 1.0
   29    33    39    56  -1.16150 -1.0 2.0
   29    33    39    56   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    45   0.46850  1.0 1.0
   33    38    40    45   0.08550 -1.0 2.0
   33    38    40    45   0.09800  1.0 3.0
   33    38    40    51   0.46850  1.0 1.0
   33    38    40    51   0.08550 -1.0 2.0
   33    38    40    51   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    56   0.37050  1.0 3.0
   38    33    39    56  -0.77900  1.0 1.0
   38    33    39    56  -0.36900 -1.0 2.0
   38    33    39    56   0.40400  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.31000  1.0 1.0
   38    40    45    48   0.14700 -1.0 2.0
   38    40    45    48   0.07550  1.0 3.0
   38    40    51    50   0.31000  1.0 1.0
   38    40    51    50   0.14700 -1.0 2.0
   38    40    51    50   0.07550  1.0 3.0
   38    40    51    52   0.15000  1.0 3.0
   38    40   -51    56   0.34400  1.0 1.0
   38    40   -51    56   0.09450 -1.0 2.0
   38    40   -51    56   0.11100  1.0 3.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    44   7.00000 -1.0 2.0
   40    45    48    49   0.00000  1.0 1.0
   40    45   -48    50   0.09850  1.0 1.0
   40    45   -48    50   0.15250 -1.0 2.0
   40    45   -48    50  -0.50650  1.0 3.0
   40    51    56    57   0.15000  1.0 3.0
   40    51    56    39   0.62750  1.0 1.0
   40    51    56    39  -0.30950 -1.0 2.0
   40    51    56    39   0.27300  1.0 3.0
   40    51    56    60   0.62750  1.0 1.0
   40    51    56    60  -0.30950 -1.0 2.0
   40    51    56    60   0.27300  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    51    50   0.15000  1.0 3.0
   41    40    51    52   0.15000  1.0 3.0
   41    40    51    56   0.15000  1.0 3.0
   45    40   -51    50   0.34400  1.0 1.0
   45    40   -51    50   0.09450 -1.0 2.0
   45    40   -51    50   0.11100  1.0 3.0
   45    40    51    52   0.15000  1.0 3.0
   45    40    51    56   3.97050  1.0 1.0
   45    48   -50    51   7.00000 -1.0 2.0
   45    48    50    53   7.00000 -1.0 2.0
   46    45    48    49   0.33100  1.0 3.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.33100  1.0 3.0
   47    45    48    50   0.00000  1.0 1.0
   48    50   -51    40   0.09850  1.0 1.0
   48    50   -51    40   0.15250 -1.0 2.0
   48    50   -51    40  -0.50650  1.0 3.0
   48    50    51    52   0.00000  1.0 1.0
   48    50    51    56   0.09850  1.0 1.0
   48    50    51    56   0.15250 -1.0 2.0
   48    50    51    56  -0.50650  1.0 3.0
   48    50    53    54   0.00000  1.0 1.0
   48    50    53    55   0.00000  1.0 1.0
   48    50    53    58   0.67800  1.0 1.0
   48    50    53    58   0.47050 -1.0 2.0
   48    50    53    58  -0.62500  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    53   7.00000 -1.0 2.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    39   0.61850  1.0 1.0
   50    51    56    39  -0.22750 -1.0 2.0
   50    51    56    39   0.15300  1.0 3.0
   50    51    56    60   0.61850  1.0 1.0
   50    51    56    60  -0.22750 -1.0 2.0
   50    51    56    60   0.15300  1.0 3.0
   50    53    58    59  -0.07800  1.0 1.0
   50    53    58    59  -0.21500 -1.0 2.0
   50    53    58    59  -0.03150  1.0 3.0
   51    40    45    46   0.15000  1.0 3.0
   51    40    45    47   0.15000  1.0 3.0
   51    40   -45    48   0.34400  1.0 1.0
   51    40   -45    48   0.09450 -1.0 2.0
   51    40   -45    48   0.11100  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    58   0.18000  1.0 1.0
   51    50    53    58   0.16450 -1.0 2.0
   51    50    53    58   0.04450  1.0 3.0
   51    56   -39    33   0.06250  1.0 1.0
   51    56   -39    33  -0.01100 -1.0 2.0
   51    56   -39    33   0.28050  1.0 3.0
   51    56    60    61   0.06250  1.0 1.0
   51    56    60    61  -0.01100 -1.0 2.0
   51    56    60    61   0.28050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    39   0.23400  1.0 3.0
   52    51    56    60   0.23400  1.0 3.0
   56    60    61    62   0.37050  1.0 3.0
   56    60    61    63   0.06250  1.0 1.0
   56    60    61    63  -0.01100 -1.0 2.0
   56    60    61    63   0.28050  1.0 3.0
   56    60    61    77  -0.12700  1.0 1.0
   56    60    61    77  -1.16200 -1.0 2.0
   56    60    61    77   0.58800  1.0 3.0
   57    56    39    33   0.37050  1.0 3.0
   57    56    60    61   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    56    60    61  -0.53350  1.0 1.0
   39    56    60    61  -0.78350 -1.0 2.0
   39    56    60    61   0.33750  1.0 3.0
   60    56    39    33  -0.81800  1.0 1.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   53    50    51    40   0.46850  1.0 1.0
   53    50    51    40   0.08550 -1.0 2.0
   53    50    51    40   0.09800  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    56   0.46850  1.0 1.0
   53    50    51    56   0.08550 -1.0 2.0
   53    50    51    56   0.09800  1.0 3.0
   54    53    58    59   0.19450  1.0 3.0
   55    53    58    59   0.19450  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45   0.09850  1.0 1.0
   42    38    40    45   0.15250 -1.0 2.0
   42    38    40    45  -0.50650  1.0 3.0
   42    38    40    51   0.09850  1.0 1.0
   42    38    40    51   0.15250 -1.0 2.0
   42    38    40    51  -0.50650  1.0 3.0
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    40    38    42   1.10000 -1.0 2.0
   45    49    48    50   1.10000 -1.0 2.0
   51    53    50    48   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
