* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    238     462
    1     0 S   NP   _N1_     1    28.59173    95.41522   -21.33655
    2     1 S   H    _HN1     2     1.02837    35.29701   155.78439
    3     1 S   H    _H1_     3     1.02779    88.32219   -79.25855
    4     1 S   H    _H2_     4     1.02957    86.46963    29.22116
    5     1 S   CT   _CA1     5     1.50127   145.98402   151.44501
    6     5 S   HC   _HA1     6     1.09568   105.24614    61.94745
    7     5 S   CO3  _C1_     7     1.53817   112.30366   -58.34076
    8     7 S   O2Z  _O11     8     1.26378   115.00432   -44.22343
    9     7 S   O2Z  _O12     9     1.26218   114.97366   134.96764
   10     5 S   CT   _CB1    10     1.53102   107.42094   179.96044
   11    10 S   HC   HB11    11     1.09822   109.47506   -49.27496
   12    10 S   HC   HB12    12     1.09820   110.38008    67.33074
   13    10 S   CT   _CG1    13     1.52996   112.63061  -170.31180
   14    13 S   HC   HG11    14     1.09499   110.47406   -60.91543
   15    13 S   HC   HG12    15     1.09647   110.00036    58.12324
   16    13 S   C    _CD1    16     1.51837   112.25508   178.29900
   17    16 S   O    _OE1    17     1.22726   123.22740    -6.93735
   18    16 S   N    _N2_    18     1.38574   111.69761   173.77351
   19    18 S   H    _HN2    19     1.01638   118.92264    -0.33102
   20    18 S   CT1  _CA2    20     1.46233   123.52272   179.14179
   21    20 S   HC   _HA2    21     1.09727   109.46946    -6.28360
   22    20 S   C    _C2_    22     1.53485   108.46774  -121.95728
   23    22 S   O    _O2_    23     1.23033   122.13637  -146.68158
   24    20 S   CT   _CB2    32     1.53433   111.27441   115.87187
   25    24 S   HC   HB21    33     1.09345   109.25610    55.53236
   26    24 S   HC   HB22    34     1.09490   110.37326   174.00269
   27    22 S   N    _N3_    24     1.38472   113.51509    40.73468
   28    27 S   H    _HN3    25     1.01509   118.92595    -0.83463
   29    24 S   S    _SG2    35     1.82946   111.39979   -66.79145
   30    27 S   CT   _CA3    26     1.45460   123.56340   175.16953
   31    30 S   HC   HA31    27     1.09513   109.37297    21.65744
   32    30 S   HC   HA32    28     1.09499   107.08517   138.68061
   33    29 S   CT   _C16    36     1.85893   101.62469   156.47274
   34    30 S   CO3  _C3_    29     1.52914   113.03469  -101.91812
   35    34 S   O2Z  _O31    30     1.26410   115.38055   -44.88901
   36    34 S   O2Z  _O32    31     1.26352   114.99959   136.02651
   37    33 S   CT   _C15    37     1.55786   113.80674   -64.64462
   38    37 S   HC   _H35    38     1.09878   107.89904    75.86351
   39    33 S   CT   _C18    85     1.54083   108.06223    60.06987
   40    39 S   HC   _H39    86     1.09706   111.63543    51.95810
   41    39 S   HC   _H40    87     1.09503   112.02607   -69.69934
   42    39 S   HC   _H41    88     1.09592   111.72300   170.45007
   43    37 S   CT   _C14    39     1.56690   111.73743  -167.43860
   44    43 S   HC   _H34    40     1.09880   106.05777   -69.01174
   45    37 S   CO4  _C13    78     1.53100   112.95023   -38.70519
   46    45 S   O    _O25    79     1.22658   122.58958   117.98965
   47    43 S   CA   _C8_    41     1.53270   111.98968   175.45847
   48    43 S   CM   _C10    54     1.52920   112.91687    42.44224
   49    45 S   OS   _O28    80     1.36034   111.99672   -61.72212
   50    47 S   CA   _C6_    42     1.40685   120.90688   -87.33449
   51    50 S   HA   _H32    43     1.08772   120.71850    -0.37639
   52    48 S   CM   _C11    55     1.35258   121.21014   -17.27244
   53    48 S   CO4  _C12    62     1.48556   118.61707   164.90651
   54    53 S   O    _O24    63     1.22103   124.65626  -129.98403
   55    49 S   CT   _C21    81     1.43058   115.87294   178.91628
   56    55 S   HC   _H48    82     1.09320   108.04452   168.50822
   57    55 S   HC   _H49    83     1.09432   111.08789    49.59243
   58    55 S   HC   _H50    84     1.09305   109.53791   -73.21211
   59    50 S   CA   _C4_    44     1.39963   121.47855   179.88809
   60    59 S   HA   _H30    45     1.08681   119.69192   179.92087
   61    33 S   NE   _N21    56     1.45821   106.62952   175.50704
   62    61 S   H    _H54    57     1.01537   116.97209   -32.53461
   63    52 S   CT   _C17    58     1.50801   124.73215  -178.58335
   64    63 S   HC   _H36    59     1.09626   110.45553   138.86873
   65    63 S   HC   _H37    60     1.09290   113.43691    20.03151
   66    63 S   HC   _H38    61     1.09478   110.00556  -101.86796
   67    53 S   OS   _O27    64     1.35832   108.31898    48.95729
   68    59 S   CA   _C5_    46     1.39312   120.44439    -0.07402
   69    68 S   HA   _H31    47     1.08618   120.01635   179.98022
   70    67 S   CT   _C22    65     1.43619   115.82068  -177.23905
   71    70 S   HC   _H51    66     1.09676   109.35793    49.89510
   72    70 S   HC   _H52    67     1.09632   108.82847   -69.23235
   73    68 S   CA   _C7_    48     1.39032   119.83288    -0.11703
   74    73 S   HA   _H33    49     1.08672   119.60799  -179.89913
   75    70 S   CT   _C23    68     1.53302   108.92818   169.84113
   76    75 S   HC   _H53    69     1.09746   108.41873   -57.09627
   77    47 S   CA   _C9_    50     1.40783   122.85196    92.13178
   78    75 S   CT   _C19    70     1.53000   111.46251    60.86819
   79    78 S   HC   _H42    71     1.09529   111.21403    59.83634
   80    78 S   HC   _H43    72     1.09489   111.22153   -60.64260
   81    78 S   HC   _H44    73     1.09525   110.70328   179.89913
   82    75 S   CT   _C20    74     1.52686   110.42853  -176.00105
   83    82 S   HC   _H45    75     1.09534   111.29521   -61.60213
   84    82 S   HC   _H46    76     1.09512   110.81862   178.16410
   85    82 S   HC   _H47    77     1.09511   110.79159    58.63304
   86    77 S   NO2  _N22    51     1.44308   120.75284     0.39067
   87    86 S   ON   _O23    52     1.23719   116.87106    97.88660
   88    86 S   ON   _O26    53     1.23705   116.96472   -82.44839
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  14  13
   4   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2
   1   1   7   5   3  12   5   4   5   2   9   8   3   7   3   2
   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    61    62    63    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    77    48    52    61    62    53    45    46    49    55    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    59    73    77    86    48    52    61    63    53    54    67    45    46    49  
   47    50    77    48    52    53    45  
   46    49    55    56    57    58    47    48    61  
   49    55  
   50    51    59    60    68    73    74    77    86    87    88    48    52    53  
   52    61    62    63    64    65    66    53    54    67    70    50    77  
   55    56    57    58  
   51    59    60    68    69    73    77    86  
   59    60    68    77  
   61    62    63    64    65    66    53    54    67  
   54    67    70    71    72    75    61    63  
   67    70  
   56    57    58  
   57    58  
   58  
    0  
   60    68    69    73    74    77  
   68    69    73  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    0  
   70    71    72    75    76    78    82  
   69    73    74    77    86  
   73    74    77  
   71    72    75    76    78    79    80    81    82    83    84    85  
   72    75    76    78    82  
   75    76    78    82  
   74    77    86    87    88  
   77    86  
   76    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   86    87    88  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    88  
   88  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   87   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   88   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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   268.000  1.529
   33    61   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    77   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    86   400.000  1.460
   86    87   550.000  1.225
   86    88   550.000  1.225
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    61   425.000  1.378
   52    63   317.000  1.510
   61    62   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   53    54   570.000  1.229
   53    67   214.000  1.327
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    78   268.000  1.529
   75    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    61    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    61    52    50.00000  121.00000
   33    61    62    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    77    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    59    63.00000  120.00000
   47    77    73    63.00000  120.00000
   47    77    86    85.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    68    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    68    69    35.00000  120.00000
   59    68    73    63.00000  120.00000
   68    59    60    35.00000  120.00000
   68    73    74    35.00000  120.00000
   68    73    77    63.00000  120.00000
   73    68    69    35.00000  120.00000
   73    77    86    85.00000  120.00000
   77    47    50    63.00000  120.00000
   77    73    74    35.00000  120.00000
   77    86    87    80.00000  117.50000
   77    86    88    80.00000  117.50000
   88    86    87    80.00000  125.30000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    61    70.00000  124.03900
   48    52    63    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    67    90.00000  111.29400
   52    61    62    35.00000  114.50000
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   52    63    66    35.00000  109.50000
   61    33    37    80.00000  111.61500
   63    52    61    75.00000  116.24600
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    67    70    83.00000  116.90000
   67    53    54    83.00000  123.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    75    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    78    58.35000  112.70000
   70    75    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   78    75    76    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    77   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    59   3.62500 -1.0 2.0
   43    47    77    73   3.62500 -1.0 2.0
   43    47    77    86   3.62500 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    52    63   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    67  -0.15000  1.0 1.0
   43    48    53    67   0.89550 -1.0 2.0
   43    48    53    67  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    77   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    59    60   3.62500 -1.0 2.0
   47    50    59    68   3.62500 -1.0 2.0
   47    77    86    87   0.69950 -1.0 2.0
   47    77    86    88   0.69950 -1.0 2.0
   50    47    77    73   3.62500 -1.0 2.0
   50    47    77    86   3.62500 -1.0 2.0
   50    59    68    69   3.62500 -1.0 2.0
   50    59   -68    73   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    68   3.62500 -1.0 2.0
   59    68    73    74   3.62500 -1.0 2.0
   59    68    73    77   3.62500 -1.0 2.0
   60    59    68    69   3.62500 -1.0 2.0
   60    59    68    73   3.62500 -1.0 2.0
   68    73   -77    47   3.62500 -1.0 2.0
   68    73    77    86   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   69    68    73    77   3.62500 -1.0 2.0
   73    77    86    87   0.69950 -1.0 2.0
   73    77    86    88   0.69950 -1.0 2.0
   74    73    77    47   3.62500 -1.0 2.0
   74    73    77    86   3.62500 -1.0 2.0
   77    47    50    51   3.62500 -1.0 2.0
   77    47   -50    59   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    77   0.18050 -1.0 2.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   48    52    63    64   0.00000  1.0 1.0
   48    52    63    65   0.00000  1.0 1.0
   48    52    63    66   0.00000  1.0 1.0
   48    53    67    70   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    67  -0.56150  1.0 1.0
   52    48    53    67   2.19150 -1.0 2.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    63    64  -0.18050  1.0 3.0
   61    52    63    65  -0.18050  1.0 3.0
   61    52    63    66  -0.18050  1.0 3.0
   63    52    61    33   1.00000 -1.0 2.0
   63    52    61    62   2.40850 -1.0 2.0
   53    48    52    61   7.00000 -1.0 2.0
   53    48    52    63   7.00000 -1.0 2.0
   53    67    70    71   0.08050  1.0 3.0
   53    67    70    72   0.08050  1.0 3.0
   53    67    70    75  -0.25900  1.0 1.0
   53    67    70    75  -0.47000 -1.0 2.0
   53    67    70    75   0.11750  1.0 3.0
   54    53    67    70   3.00000 -1.0 2.0
   67    70    75    76   0.23400  1.0 3.0
   67    70    75    78   0.62750  1.0 1.0
   67    70    75    78  -0.30950 -1.0 2.0
   67    70    75    78   0.27300  1.0 3.0
   67    70    75    82   0.62750  1.0 1.0
   67    70    75    82  -0.30950 -1.0 2.0
   67    70    75    82   0.27300  1.0 3.0
   70    75    78    79   0.15000  1.0 3.0
   70    75    78    80   0.15000  1.0 3.0
   70    75    78    81   0.15000  1.0 3.0
   70    75    82    83   0.15000  1.0 3.0
   70    75    82    84   0.15000  1.0 3.0
   70    75    82    85   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   71    70    75    82   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   72    70    75    82   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   78    75    82    83   0.15000  1.0 3.0
   78    75    82    84   0.15000  1.0 3.0
   78    75    82    85   0.15000  1.0 3.0
   82    75    78    79   0.15000  1.0 3.0
   82    75    78    80   0.15000  1.0 3.0
   82    75    78    81   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    58   0.08050  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   50    77    47    43   4.00000 -1.0 2.0
   59    51    50    47   1.10000 -1.0 2.0
   68    60    59    50   1.10000 -1.0 2.0
   73    69    68    59   1.10000 -1.0 2.0
   77    74    73    68   1.10000 -1.0 2.0
   73    86    77    47   4.00000 -1.0 2.0
   88    77    86    87  10.50000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   63    61    52    48   1.10000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   48    67    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
