* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    141    208     405
    1     0 S   NP   _N1_     1    28.06370    95.25532   -23.43815
    2     1 S   H    _HN1     2     1.02777   104.05304  -108.14492
    3     1 S   H    _H1_     3     1.02957    83.90193    -0.72551
    4     1 S   H    _H2_     4     1.02835    26.62486   149.88895
    5     1 S   CT   _CA1     5     1.50124   133.11336   111.61078
    6     5 S   HC   _HA1     6     1.09575   105.22245    76.45208
    7     5 S   CO3  _C1_     7     1.53789   112.35336   -43.74818
    8     7 S   O2Z  _O11     8     1.26364   115.00036   -44.33136
    9     7 S   O2Z  _O12     9     1.26236   114.93187   134.78547
   10     5 S   CT   _CB1    10     1.53097   107.42209  -165.64347
   11    10 S   HC   HB11    11     1.09826   109.34147   -50.60123
   12    10 S   HC   HB12    12     1.09816   110.42760    65.95786
   13    10 S   CT   _CG1    13     1.53011   112.65746  -171.67435
   14    13 S   HC   HG11    14     1.09596   110.48127   -64.11178
   15    13 S   HC   HG12    15     1.09656   109.92878    55.08298
   16    13 S   C    _CD1    16     1.51837   112.32717   175.45524
   17    16 S   O    _OE1    17     1.22746   123.29123    -0.20748
   18    16 S   N    _N2_    18     1.38550   111.68037   179.79064
   19    18 S   H    _HN2    19     1.01548   119.05406     4.55630
   20    18 S   CT1  _CA2    20     1.45870   122.94418   178.05902
   21    20 S   HC   _HA2    21     1.09712   109.01674    23.31443
   22    20 S   C    _C2_    22     1.53037   106.81821   -93.76118
   23    22 S   O    _O2_    23     1.23023   122.98698   -23.08825
   24    20 S   CT   _CB2    32     1.53269   112.36070   146.46010
   25    24 S   HC   HB21    33     1.09499   109.66960    58.94326
   26    24 S   HC   HB22    34     1.09373   109.33529   177.46271
   27    22 S   N    _N3_    24     1.38501   112.81300   159.48784
   28    27 S   H    _HN3    25     1.01681   120.42835    -2.54376
   29    24 S   S    _SG2    35     1.82896   111.41341   -61.39623
   30    27 S   CT   _CA3    26     1.45370   122.22936   178.86426
   31    30 S   HC   HA31    27     1.09566   107.92135   -51.14287
   32    30 S   HC   HA32    28     1.09559   107.48288    65.07275
   33    29 S   CT   _C9_    36     1.87014   101.36191  -169.05776
   34    30 S   CO3  _C3_    29     1.52819   114.49405  -173.57505
   35    34 S   O2Z  _O31    30     1.26287   116.07596    -9.28349
   36    34 S   O2Z  _O32    31     1.26459   114.40031   170.83796
   37    33 S   CM   _C10    37     1.55186   111.11584    63.48499
   38    33 S   CT   _C20    76     1.54484   107.17693  -172.97102
   39    38 S   HC   _H16    77     1.09809   111.42489    64.08349
   40    38 S   HC   _H17    78     1.09332   113.96699   -56.71104
   41    38 S   HC   _H18    79     1.09571   110.92348  -177.69107
   42    37 S   CT   _C13    38     1.56349   117.41593  -118.16040
   43    42 S   HC   _H3_    39     1.09702   104.03747   127.57653
   44    37 S   CMA  _C11    69     1.37957   123.75052    60.13436
   45    44 S   OM   _O35    70     1.27045   125.19485  -177.78000
   46    42 S   CA   _C14    40     1.54108   112.75664  -113.12199
   47    42 S   CM   _C7_    51     1.51505   115.37169    13.45797
   48    44 S   OS   _O36    71     1.41544   112.52114     0.65849
   49    46 S   CA   _C15    41     1.40998   118.62814    56.32924
   50    49 S   HA   _H13    42     1.08627   120.43069     0.09487
   51    47 S   CM   _C8_    52     1.34187   122.76363   -17.20854
   52    47 S   CO4  _C6_    59     1.47979   117.09107   163.94446
   53    52 S   O    _O34    60     1.22088   124.30277   109.70233
   54    48 S   CT   _C12    72     1.42706   115.45326   151.11813
   55    54 S   HC   _H10    73     1.09405   107.71117  -172.37347
   56    54 S   HC   _H11    74     1.09478   111.04307    69.74986
   57    54 S   HC   _H12    75     1.09528   111.08579   -54.30762
   58    49 S   CA   _C16    43     1.39365   121.51027   179.62727
   59    58 S   HA   _H14    44     1.08623   119.94537   179.67016
   60    33 S   NE   _N4_    53     1.45930   106.60938   -60.51336
   61    60 S   H    _H9_    54     1.01620   115.69452   -59.44994
   62    51 S   CT   _C21    55     1.50651   124.95264  -178.00296
   63    62 S   HC   _H19    56     1.09520   109.98745   113.88075
   64    62 S   HC   _H20    57     1.09287   113.75297    -7.18949
   65    62 S   HC   _H21    58     1.09593   110.10054  -126.96472
   66    52 S   OS   _O33    61     1.35756   108.15583   -70.29479
   67    58 S   CA   _C17    45     1.38910   119.95133    -0.51510
   68    67 S   HA   _H15    46     1.08703   119.16164   179.98022
   69    66 S   CT   _C5_    62     1.43400   115.36974   178.68970
   70    69 S   HC   _H7_    63     1.09555   109.60740   -58.51358
   71    69 S   HC   _H8_    64     1.09544   109.47897    61.77085
   72    67 S   CA   _C18    47     1.39628   119.92955    -0.47806
   73    72 S   Cl   Cl2_    48     1.73241   117.00314  -179.29724
   74    69 S   CT   _C4_    65     1.51521   108.15122  -178.36338
   75    74 S   HC   _H4_    66     1.09465   110.49500   -59.81217
   76    74 S   HC   _H5_    67     1.09502   110.63696    58.43583
   77    74 S   HC   _H6_    68     1.09345   110.94933   179.41583
   78    46 S   CA   _C19    49     1.41432   123.28538  -125.67927
   79    78 S   Cl   Cl1_    50     1.73798   120.78720    -0.43790
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  12  13   4
   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2   1
   1   7   5   3   6   5   4   3   2   3   2   1   1   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    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    60    61    62    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    78    47    51    60    61    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    58    72    78    79    47    51    60    62    52    53    66    44    45    48  
   46    49    78    47    51    52    44  
   45    48    54    55    56    57    46    47    60  
   48    54  
   49    50    58    59    67    72    73    78    79    47    51    52  
   51    60    61    62    63    64    65    52    53    66    69    49    78  
   54    55    56    57  
   50    58    59    67    68    72    78    79  
   58    59    67    78  
   60    61    62    63    64    65    52    53    66  
   53    66    69    70    71    74    60    62  
   66    69  
   55    56    57  
   56    57  
   57  
    0  
   59    67    68    72    73    78  
   67    68    72  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   69    70    71    74    75    76    77  
   68    72    73    78    79  
   72    73    78  
   70    71    74    75    76    77  
   71    74    75    76    77  
   74    75    76    77  
   73    78    79  
   78    79  
   75    76    77  
   76    77  
   77  
    0  
   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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   79   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    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    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    78   469.000  1.400
   49    50   367.000  1.080
   49    58   469.000  1.400
   58    59   367.000  1.080
   58    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    73   300.000  1.725
   72    78   469.000  1.400
   78    79   300.000  1.725
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    60   425.000  1.378
   51    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   570.000  1.229
   52    66   214.000  1.327
   66    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    78    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    58    63.00000  120.00000
   46    78    72    63.00000  120.00000
   46    78    79    75.00000  120.00000
   49    58    59    35.00000  120.00000
   49    58    67    63.00000  120.00000
   58    49    50    35.00000  120.00000
   58    67    68    35.00000  120.00000
   58    67    72    63.00000  120.00000
   67    58    59    35.00000  120.00000
   67    72    73    75.00000  120.00000
   67    72    78    63.00000  120.00000
   72    67    68    35.00000  120.00000
   72    78    79    75.00000  120.00000
   78    46    49    63.00000  120.00000
   78    72    73    75.00000  120.00000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    60    70.00000  124.03900
   47    51    62    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    66    90.00000  111.29400
   51    60    61    35.00000  114.50000
   51    62    63    35.00000  109.50000
   51    62    64    35.00000  109.50000
   51    62    65    35.00000  109.50000
   60    33    37    80.00000  112.42400
   62    51    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    66    69    83.00000  116.90000
   66    52    53    83.00000  123.40000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    74    50.00000  109.50000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    37.50000  110.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    78   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    58   3.62500 -1.0 2.0
   42    46    78    72   3.62500 -1.0 2.0
   42    46    78    79   3.62500 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    51    62   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    66  -0.15000  1.0 1.0
   42    47    52    66   0.89550 -1.0 2.0
   42    47    52    66  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    78   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    58    59   3.62500 -1.0 2.0
   46    49    58    67   3.62500 -1.0 2.0
   49    46    78    72   3.62500 -1.0 2.0
   49    46    78    79   3.62500 -1.0 2.0
   49    58    67    68   3.62500 -1.0 2.0
   49    58   -67    72   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    49    58    67   3.62500 -1.0 2.0
   58    67    72    73   3.62500 -1.0 2.0
   58    67    72    78   3.62500 -1.0 2.0
   59    58    67    68   3.62500 -1.0 2.0
   59    58    67    72   3.62500 -1.0 2.0
   67    72   -78    46   3.62500 -1.0 2.0
   67    72    78    79   3.62500 -1.0 2.0
   68    67    72    73   3.62500 -1.0 2.0
   68    67    72    78   3.62500 -1.0 2.0
   73    72    78    46   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   78    46    49    50   3.62500 -1.0 2.0
   78    46   -49    58   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    78   0.18050 -1.0 2.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   47    51    62    63   0.00000  1.0 1.0
   47    51    62    64   0.00000  1.0 1.0
   47    51    62    65   0.00000  1.0 1.0
   47    52    66    69   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    66  -0.56150  1.0 1.0
   51    47    52    66   2.19150 -1.0 2.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    62    63  -0.18050  1.0 3.0
   60    51    62    64  -0.18050  1.0 3.0
   60    51    62    65  -0.18050  1.0 3.0
   62    51    60    33   1.00000 -1.0 2.0
   62    51    60    61   2.40850 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    47    51    62   7.00000 -1.0 2.0
   52    66    69    70   0.08050  1.0 3.0
   52    66    69    71   0.08050  1.0 3.0
   52    66    69    74  -0.25900  1.0 1.0
   52    66    69    74  -0.47000 -1.0 2.0
   52    66    69    74   0.11750  1.0 3.0
   53    52    66    69   3.00000 -1.0 2.0
   66    69    74    75   0.23400  1.0 3.0
   66    69    74    76   0.23400  1.0 3.0
   66    69    74    77   0.23400  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    76   0.15000  1.0 3.0
   71    69    74    77   0.15000  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    57   0.08050  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    78    46    42   4.00000 -1.0 2.0
   58    50    49    46   1.10000 -1.0 2.0
   67    59    58    49   1.10000 -1.0 2.0
   72    68    67    58   1.10000 -1.0 2.0
   78    73    72    67   4.00000 -1.0 2.0
   72    79    78    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   62    60    51    47   1.10000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   47    66    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
