* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    155    240     444
    1     0 S   NP   _N1_     1    29.32446    95.67423   -26.72038
    2     1 S   H    _HN1     2     1.02786   128.13221  -102.34172
    3     1 S   H    _H1_     3     1.02948    77.17158     1.08769
    4     1 S   H    _H2_     4     1.02830    31.52810  -160.11491
    5     1 S   CT   _CA1     5     1.50110   113.38492   108.02680
    6     5 S   HC   _HA1     6     1.09571   105.19547    93.21458
    7     5 S   CO3  _C1_     7     1.53789   112.47623   -27.04016
    8     7 S   O2Z  _O11     8     1.26373   115.00346   -42.11658
    9     7 S   O2Z  _O12     9     1.26237   114.94886   137.04043
   10     5 S   CT   _CB1    10     1.53082   107.43626  -148.76710
   11    10 S   HC   HB11    11     1.09833   109.39739   -49.43448
   12    10 S   HC   HB12    12     1.09814   110.44038    67.18589
   13    10 S   CT   _CG1    13     1.52996   112.59790  -170.39630
   14    13 S   HC   HG11    14     1.09579   110.64396   -65.54152
   15    13 S   HC   HG12    15     1.09669   109.78036    53.69888
   16    13 S   C    _CD1    16     1.51785   112.20829   174.19103
   17    16 S   O    _OE1    17     1.22734   123.26956     7.66680
   18    16 S   N    _N2_    18     1.38651   111.69108  -172.53168
   19    18 S   H    _HN2    19     1.01579   118.99901     1.51827
   20    18 S   CT1  _CA2    20     1.46098   123.34680   177.87726
   21    20 S   HC   _HA2    21     1.09591   109.29910     1.77233
   22    20 S   C    _C2_    22     1.53539   108.87575  -113.35221
   23    22 S   O    _O2_    23     1.23063   122.20934  -149.36344
   24    20 S   CT   _CB2    32     1.53272   111.66574   124.15195
   25    24 S   HC   HB21    33     1.09650   109.72717    61.54812
   26    24 S   HC   HB22    34     1.09572   110.97092   179.00810
   27    22 S   N    _N3_    24     1.38308   113.73228    38.17517
   28    27 S   H    _HN3    25     1.01586   119.55758    -3.48335
   29    24 S   S    _SG2    35     1.82745   114.37275   -58.33599
   30    27 S   CT   _CA3    26     1.45282   123.24143   177.04210
   31    30 S   HC   HA31    27     1.09549   107.53960   -63.99591
   32    30 S   HC   HA32    28     1.09556   107.95932    52.44781
   33    29 S   CT   _C22    36     1.82278    99.75579   -65.87845
   34    33 S   HC   _H3_    37     1.09478   109.64701    68.27314
   35    33 S   HC   _H4_    38     1.09432   109.03958   -48.03763
   36    30 S   CO3  _C3_    29     1.52963   114.05203   174.43384
   37    36 S   O2Z  _O31    30     1.26379   116.05259    -0.23323
   38    36 S   O2Z  _O32    31     1.26422   114.42009   179.81233
   39    33 S   CM   _C10    39     1.51868   110.14686  -171.35037
   40    39 S   CMA  _C11    40     1.36547   123.43936    97.99074
   41    40 S   OM   _O20    41     1.26840   125.33675   177.39774
   42    39 S   CT   _C20    78     1.51695   113.29884   -84.06882
   43    42 S   HC   _H40    79     1.09538   109.96591   -58.67539
   44    42 S   HC   _H41    80     1.09482   110.46018    60.86633
   45    42 S   HC   _H42    81     1.09389   113.59490  -178.79553
   46    40 S   OS   _O26    42     1.41939   111.27197    -1.25881
   47    46 S   CT   _C18    43     1.45001   117.49902  -144.71448
   48    47 S   HC   _H39    44     1.09645   111.19984   -35.40163
   49    47 S   CT   _C12    45     1.55502   103.86072    83.86884
   50    49 S   HC   _H31    46     1.09908   107.94117    61.13971
   51    49 S   HC   _H32    47     1.09795   109.20330   -51.66605
   52    47 S   CT   _C15    61     1.56820   106.87810  -152.97069
   53    52 S   HC   _H36    62     1.09911   108.54045   -68.54290
   54    49 S   CM   _C5_    48     1.47854   118.01731  -173.94194
   55    52 S   CM   _C6_    63     1.51206   117.36131    51.68573
   56    54 S   CM   _C4_    49     1.33189   128.12321  -118.66801
   57    56 S   HC   _H28    50     1.08126   124.67828    -1.50389
   58    55 S   CO4  _C8_    64     1.47877   108.97212   150.10170
   59    58 S   O    _O22    65     1.21767   127.43493   166.63603
   60    55 S   CM   _C9_    67     1.33745   133.20506   -28.40830
   61    60 S   HC   _H29    68     1.08131   122.95916    -1.37174
   62    60 S   HC   _H30    69     1.08619   121.54927   179.00103
   63    56 S   CT   _C14    51     1.47761   110.70080   168.13671
   64    63 S   HC   _H35    52     1.09455   111.11990   130.20037
   65    79 S   OS   _O24    66     1.43911   107.53218   103.25059
   66    63 S   CT   _C13    53     1.54447   112.05692  -104.95604
   67    66 S   HC   _H33    54     1.09670   108.78768  -178.90211
   68    66 S   HC   _H34    55     1.09752   109.48416   -62.61812
   69    63 S   OS   _O23    75     1.43312   103.29720    13.82787
   70    66 S   C3T  _C19    56     1.51812   112.86871    60.41966
   71    54 S   CO4  _C7_    76     1.46772   125.49564    60.47678
   72    71 S   O    _O21    77     1.21792   125.91153     4.75275
   73    70 S   C3T  _C17    57     1.53548   117.15077   -70.69598
   74    73 S   HC   _H38    58     1.08079   122.40542    -7.58522
   75    70 S   CT   _C21    71     1.50468   116.76604    89.42332
   76    75 S   HC   _H43    72     1.09565   111.90496   162.53970
   77    75 S   HC   _H44    73     1.09498   110.58000    43.38613
   78    75 S   HC   _H45    74     1.09244   111.38539   -76.91878
   79    73 S   CT   _C16    59     1.49624   120.14881   147.28077
   80    79 S   HC   _H37    60     1.09680   110.85651   -13.54907
   81    70 S   O3T  _O25    70     1.43184   116.66586  -136.30847
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  16   8
  13   5   4  15   7   8   9  10   5   8   3   4   1   1  11   6
   6  13   6   5   3   9   1   1   8   4   5   3   2   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    79    52    53    55  
   48    49    50    51    54    56    73    79    80    52    53    55    58    65    60    71  
   49    50    51    54    79    52    53    55  
   50    51    54    56    57    63    79    52    53    55    69    71    72  
   51    54    56    52    71  
   54    56    52    71  
   53    55    58    59    65    60    61    62    81    54    70    73    74    79    80  
   55    58    65    60    73    79    80  
   56    57    63    64    66    69    71    72  
   58    59    65    60    61    62    73    79    80  
   57    63    64    66    67    68    70    69    71    72  
   63    64    66    69    71  
   59    65    60    61    62    73    79    80  
   65    60    79  
   61    62    65    79  
   62  
    0  
   64    66    67    68    70    73    81    75    69    71    72  
   66    67    68    70    69    71  
   81    70    73    74    79    80  
   67    68    70    73    74    79    81    75    76    77    78    69    71  
   68    70    73    81    75    69  
   70    73    81    75    69  
   71    72    70  
   73    74    79    80    81    75    76    77    78  
   72  
    0  
   74    79    80    81    75    76    77    78  
   79    80    81    75  
   76    77    78    79    81  
   77    78    81  
   78    81  
   81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    56   549.000  1.340
   54    71   320.000  1.462
   56    57   340.000  1.080
   56    63   317.000  1.510
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   275.000  1.510
   70    73   260.000  1.509
   70    81   335.000  1.432
   70    75   275.000  1.510
   73    74   340.000  1.088
   73    79   275.000  1.510
   73    81   335.000  1.432
   79    80   340.000  1.090
   79    52   268.000  1.529
   79    65   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    65   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.02700
   47    52    79    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    70.00000  124.00000
   49    54    71    65.00000  116.34900
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    63    70.00000  124.00000
   54    71    69    90.00000  111.29400
   54    71    72    80.00000  123.72100
   56    63    64    35.00000  109.50000
   56    63    66    70.00000  112.02700
   56    63    69    85.00000  110.90400
   63    56    57    35.00000  117.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    70    70.00000  112.37300
   63    69    71    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    70    73    60.00000  120.94000
   66    70    81    80.00000  116.47100
   66    70    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    45.00000  109.38400
   70    66    68    45.00000  109.38400
   70    73    74    37.50000  117.20000
   70    73    79    60.00000  120.94000
   70    73    81    15.00000   60.43100
   70    81    73    15.00000   59.14900
   70    75    76    45.00000  109.38400
   70    75    77    45.00000  109.38400
   70    75    78    45.00000  109.38400
   73    79    80    45.00000  109.38400
   73    79    52    70.00000  112.37300
   73    79    65    50.00000  109.50000
   79    73    74    40.00000  115.04500
   79    52    53    37.50000  110.70000
   79    52    55    70.00000  112.02700
   79    65    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    79    80    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    65    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   65    79    80    35.00000  109.50000
   65    79    52    50.00000  109.50000
   65    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   81    70    73    15.00000   60.43100
   81    73    74    50.00000  114.27700
   81    73    79    80.00000  116.47100
   75    70    73    60.00000  120.94000
   75    70    81    80.00000  116.47100
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    66    50.00000  109.50000
   69    71    72    83.00000  123.40000
   71    54    56    65.00000  118.96000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.61850  1.0 1.0
   46    47    49    54  -0.22750 -1.0 2.0
   46    47    49    54   0.15300  1.0 3.0
   46    47    52    79   0.62750  1.0 1.0
   46    47    52    79  -0.30950 -1.0 2.0
   46    47    52    79   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.09850  1.0 1.0
   47    49    54    56   0.15250 -1.0 2.0
   47    49    54    56  -0.50650  1.0 3.0
   47    49    54    71   0.09700  1.0 1.0
   47    49    54    71   0.15600 -1.0 2.0
   47    49    54    71  -0.50800  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    79   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    79   0.56750  1.0 1.0
   49    47    52    79  -0.07550 -1.0 2.0
   49    47    52    79   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    63   7.00000 -1.0 2.0
   49    54    71    69  -0.15000  1.0 1.0
   49    54    71    69   0.89550 -1.0 2.0
   49    54    71    69  -0.06900  1.0 3.0
   49    54    71    72  -0.64400  1.0 1.0
   49    54    71    72   0.26850 -1.0 2.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    71   0.15000  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    71   0.15000  1.0 3.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    66   0.09850  1.0 1.0
   54    56    63    66   0.15250 -1.0 2.0
   54    56    63    66  -0.50650  1.0 3.0
   54    56   -63    69   0.39000  1.0 1.0
   54    56   -63    69  -0.05800 -1.0 2.0
   54    56   -63    69  -0.55150  1.0 3.0
   56    54   -71    69  -0.56150  1.0 1.0
   56    54   -71    69   2.19150 -1.0 2.0
   56    54    71    72   1.00000 -1.0 2.0
   56    63    66    67   0.15000  1.0 3.0
   56    63    66    68   0.15000  1.0 3.0
   56    63    66    70   0.34400  1.0 1.0
   56    63    66    70   0.09450 -1.0 2.0
   56    63    66    70   0.11100  1.0 3.0
   56    63   -69    71  -0.82050  1.0 1.0
   56    63   -69    71   0.00600 -1.0 2.0
   56    63   -69    71   0.04400  1.0 3.0
   57    56    63    64   0.33100  1.0 3.0
   57    56    63    66   0.00000  1.0 1.0
   57    56    63    69   0.00000  1.0 1.0
   63    66    70    73   0.07850  1.0 1.0
   63    66    70    73  -0.03950 -1.0 2.0
   63    66    70    73   0.67350  1.0 3.0
   63    66    70    81   0.02550  1.0 1.0
   63    66    70    81  -0.02600 -1.0 2.0
   63    66    70    81   1.20400  1.0 3.0
   63    66    70    75   0.56750  1.0 1.0
   63    66    70    75  -0.07550 -1.0 2.0
   63    66    70    75   0.20000  1.0 3.0
   63    69   -71    54   2.00000 -1.0 2.0
   63    69    71    72   3.00000 -1.0 2.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    70   0.15000  1.0 3.0
   64    63    69    71   0.08050  1.0 3.0
   66    63    69    71  -0.25900  1.0 1.0
   66    63    69    71  -0.47000 -1.0 2.0
   66    63    69    71   0.11750  1.0 3.0
   66    70    73    74   0.15000  1.0 3.0
   66    70    73    79   0.56750  1.0 1.0
   66    70    73    79  -0.07550 -1.0 2.0
   66    70    73    79   0.20000  1.0 3.0
   66    70   -73    81   0.02550  1.0 1.0
   66    70   -73    81  -0.02600 -1.0 2.0
   66    70   -73    81   1.20400  1.0 3.0
   66    70   -81    73   0.06250  1.0 1.0
   66    70   -81    73  -0.01100 -1.0 2.0
   66    70   -81    73   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    66    70    81   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   68    66    70    73   0.15000  1.0 3.0
   68    66    70    81   0.23400  1.0 3.0
   68    66    70    75   0.15000  1.0 3.0
   70    73    79    80   0.15000  1.0 3.0
   70    73    79    52   0.07850  1.0 1.0
   70    73    79    52  -0.03950 -1.0 2.0
   70    73    79    52   0.67350  1.0 3.0
   70    73    79    65  -0.26800  1.0 1.0
   70    73    79    65   0.69150 -1.0 2.0
   70    73    79    65  -0.48750  1.0 3.0
   73    70    75    76   0.15000  1.0 3.0
   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    79    52    47   0.47050  1.0 1.0
   73    79    52    47   0.03900 -1.0 2.0
   73    79    52    47   0.20100  1.0 3.0
   73    79    52    53   0.15000  1.0 3.0
   73    79    52    55   0.34400  1.0 1.0
   73    79    52    55   0.09450 -1.0 2.0
   73    79    52    55   0.11100  1.0 3.0
   73    79    65    58  -0.25900  1.0 1.0
   73    79    65    58  -0.47000 -1.0 2.0
   73    79    65    58   0.11750  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    52   0.15000  1.0 3.0
   74    73    79    65   0.23400  1.0 3.0
   74    73   -81    70   0.36800  1.0 3.0
   79    73   -81    70   0.06250  1.0 1.0
   79    73   -81    70  -0.01100 -1.0 2.0
   79    73   -81    70   0.28050  1.0 3.0
   79    52   -55    58   0.09700  1.0 1.0
   79    52   -55    58   0.15600 -1.0 2.0
   79    52   -55    58  -0.50800  1.0 3.0
   79    52    55    60   0.09850  1.0 1.0
   79    52    55    60   0.15250 -1.0 2.0
   79    52    55    60  -0.50650  1.0 3.0
   80    79    52    47   0.15000  1.0 3.0
   80    79    52    53   0.15000  1.0 3.0
   80    79    52    55   0.15000  1.0 3.0
   80    79    65    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.34400  1.0 1.0
   52    47    49    54   0.09450 -1.0 2.0
   52    47    49    54   0.11100  1.0 3.0
   52    79   -65    58  -0.25900  1.0 1.0
   52    79   -65    58  -0.47000 -1.0 2.0
   52    79   -65    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    65  -0.15000  1.0 1.0
   52    55   -58    65   0.89550 -1.0 2.0
   52    55   -58    65  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -65    79   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    65    79   3.00000 -1.0 2.0
   65    79    52    47   0.62750  1.0 1.0
   65    79    52    47  -0.30950 -1.0 2.0
   65    79    52    47   0.27300  1.0 3.0
   65    79    52    53   0.23400  1.0 3.0
   65    79   -52    55   0.61850  1.0 1.0
   65    79   -52    55  -0.22750 -1.0 2.0
   65    79   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    65  -0.56150  1.0 1.0
   60    55    58    65   2.19150 -1.0 2.0
   81    70   -73    74   0.23400  1.0 3.0
   81    70   -73    79   0.02550  1.0 1.0
   81    70   -73    79  -0.02600 -1.0 2.0
   81    70   -73    79   1.20400  1.0 3.0
   81    70    75    76   0.23400  1.0 3.0
   81    70    75    77   0.23400  1.0 3.0
   81    70    75    78   0.23400  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    52   0.02550  1.0 1.0
   81    73    79    52  -0.02600 -1.0 2.0
   81    73    79    52   1.20400  1.0 3.0
   81    73    79    65   1.11900  1.0 1.0
   81    73    79    65  -1.16350 -1.0 2.0
   81    73    79    65  -0.34150  1.0 3.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    79   0.56750  1.0 1.0
   75    70    73    79  -0.07550 -1.0 2.0
   75    70    73    79   0.20000  1.0 3.0
   75    70   -73    81   0.02550  1.0 1.0
   75    70   -73    81  -0.02600 -1.0 2.0
   75    70   -73    81   1.20400  1.0 3.0
   75    70   -81    73   0.06250  1.0 1.0
   75    70   -81    73  -0.01100 -1.0 2.0
   75    70   -81    73   0.28050  1.0 3.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    70  -0.26800  1.0 1.0
   69    63    66    70   0.69150 -1.0 2.0
   69    63    66    70  -0.48750  1.0 3.0
   71    54    56    57   7.00000 -1.0 2.0
   71    54   -56    63   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   49    71    54    56   1.10000 -1.0 2.0
   63    57    56    54   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    65    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
   54    69    71    72  10.50000 -1.0 2.0
END
