* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    153    247     460
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02083   106.30240    -6.48452
    3     1 S   H    _H1_     3     1.02055    51.43823    94.68350
    4     1 S   H    _H2_     4     1.02081    60.82028  -109.12997
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88696   179.08678
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.82726    98.00106  -178.14956
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C13    37     1.50172   109.99216   -40.00410
   38    33 S   OS1  _O34    65     1.42178   110.32071    82.86324
   39    37 S   CO4  _C12    38     1.49098   118.66990   -81.06805
   40    39 S   O    _O23    39     1.22725   123.18926   158.39868
   41    37 S   CMA  _C17    47     1.34292   124.96572   100.21728
   42    41 S   OM   _O22    48     1.26317   130.77301     0.83087
   43    38 S   CO1  _C22    66     1.42682   111.30168    37.76222
   44    43 S   HC   _H45    67     1.09757   107.48416    29.95050
   45    39 S   CM   _C10    40     1.48033   116.67194   -22.01583
   46    45 S   HC   _H38    41     1.08555   116.33135  -177.51722
   47    41 S   CM   _C16    49     1.46812   118.84291   178.74524
   48    47 S   HC   _H40    50     1.09016   115.64594    -1.42505
   49    43 S   CT   _C20    68     1.52916   107.83893   149.63019
   50    49 S   HC   _H43    69     1.09703   110.67298    51.33922
   51    45 S   CM   _C11    42     1.33531   123.21215    -0.02798
   52    47 S   CM   _C15    51     1.34666   124.07241   179.98022
   53    52 S   HC   _H39    52     1.08866   119.02127     1.72896
   54    49 S   CT   _C18    70     1.52899   111.34204   173.94722
   55    54 S   HC   _H41    71     1.09654   110.89932    74.74842
   56    49 S   OH5  _O30    86     1.42690   109.46222   -66.35992
   57    56 S   HO   _H52    87     0.96831   106.51406   -61.55429
   58    33 S   CO4  _C14    43     1.52278   107.46431  -161.17577
   59    58 S   O    _O24    44     1.23154   122.16553   -91.52449
   60    51 S   OH   _O27    45     1.37915   120.88085  -176.53836
   61    60 S   HO   _H49    46     0.96303   109.90049   179.93744
   62    52 S   CA   _C8_    53     1.43294   123.72053   179.12307
   63    54 S   CT   _C19    72     1.52937   111.18746   -48.63907
   64    63 S   HC   _H42    73     1.09687   108.93644   -72.56350
   65    54 S   OH5  _O28    84     1.42878   109.14972  -168.25840
   66    65 S   HO   _H50    85     0.96860   106.34846    61.29629
   67    62 S   CA   _C4_    54     1.39477   119.98111  -159.97772
   68    67 S   HA   _H34    55     1.08732   120.91249     0.03426
   69    63 S   CT   _C21    74     1.53083   110.79579    49.59885
   70    69 S   HC   _H44    75     1.09849   110.51032    64.70323
   71    63 S   OH5  _O29    82     1.42547   108.04486   170.64728
   72    71 S   HO   _H51    83     0.96980   106.51804   -59.93432
   73    67 S   CA   _C6_    56     1.39488   120.00947  -179.98022
   74    73 S   HA   _H36    57     1.08586   119.72933  -179.97202
   75    43 S   OS1  _O25    76     1.42605   109.82027   -89.94014
   76    69 S   CT   _C24    77     1.52510   112.27572  -175.09983
   77    76 S   HC   _H46    78     1.09016   109.92024   -59.99866
   78    76 S   HC   _H47    79     1.08936   110.00931   179.06309
   79    73 S   CA   _C9_    58     1.39502   119.96441    -0.01978
   80    76 S   OH5  _O33    80     1.41621   108.53552    59.53289
   81    80 S   HO   _H53    81     0.97215   107.06162  -179.94766
   82    79 S   CA   _C7_    59     1.39477   120.02611     0.00000
   83    82 S   HA   _H37    60     1.08659   120.37121   179.97202
   84    79 S   OH   _O26    63     1.36152   120.01847   179.98022
   85    84 S   HO   _H48    64     0.97115   110.21792     0.00000
   86    62 S   CA   _C5_    61     1.39463   120.02772    20.04416
   87    86 S   HA   _H35    62     1.08794   120.84506    -0.03956
  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   9   5   4   3
  16   2   1   1  14  13   9   4   8   3  14   6   6   3   6   3
  12   7   4   8   3  13   7   4   1   3   1   1   1   9  12   7
   3   1   8   4   9   6   3   1   7   3   4   4   3   2   6   1
   1   5   3   2   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    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    58    59    41    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    45    51    58    59    60    41    42    47    38    43    44    49    75  
   35    36  
   36  
    0  
   39    40    45    46    51    58    59    41    42    47    48    52    38    43  
   43    44    49    50    54    69    75    56    39    41    51    58    59  
   40    45    46    51    58    60    41    42    47  
   45    46    51    41  
   42    47    48    52    53    62    45    58  
   47    48    52  
   44    49    50    54    55    63    69    70    75    76    65    56    57    58  
   49    50    54    69    75    56  
   46    51    58    59    60    61  
   51    58    60  
   48    52    53    62    67    86  
   52    53    62  
   50    54    55    63    64    69    75    71    65    66    56    57  
   54    55    63    75    65    56    57  
   58    59    60    61  
   53    62    67    68    73    82    86    87  
   62    67    86  
   55    63    64    69    70    75    76    71    72    65    66    56    57  
   63    64    69    71    65    66    56  
   57    63    65    75  
    0  
   59    60    61  
   60  
   61  
    0  
   67    68    73    74    79    82    83    86    87  
   64    69    70    75    76    77    78    80    71    72    65    66  
   69    70    75    76    71    72    65  
   66    69    71  
    0  
   68    73    74    79    82    86    87    84  
   73    74    79    86  
   70    75    76    77    78    80    81    71    72  
   75    76    77    78    80    71  
   72    75    76  
    0  
   74    79    82    83    86    84    85  
   79    82    84  
   76    77    78    80  
   77    78    80    81  
   78    80    81  
   80    81  
   82    83    86    87    84    85  
   81  
    0  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.465900   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    58   317.000  1.522
   33    38   335.000  1.422
   37    39   320.000  1.462
   37    41   465.000  1.376
   39    40   570.000  1.229
   39    45   320.000  1.462
   45    46   340.000  1.080
   45    51   549.000  1.340
   51    58   320.000  1.462
   51    60   510.000  1.338
   58    59   570.000  1.229
   60    61   553.000  0.945
   41    42   745.000  1.250
   41    47   465.000  1.376
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    62   320.000  1.460
   62    67   469.000  1.400
   62    86   469.000  1.400
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    82   469.000  1.400
   79    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   38    43   370.000  1.399
   43    44   360.000  1.097
   43    49   255.000  1.525
   43    75   370.000  1.399
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    56   355.000  1.421
   54    55   340.000  1.090
   54    63   268.000  1.529
   54    65   355.000  1.421
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    71   355.000  1.421
   69    70   340.000  1.090
   69    75   335.000  1.422
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    80   355.000  1.421
   80    81   580.000  0.967
   71    72   580.000  0.967
   65    66   580.000  0.967
   56    57   580.000  0.967
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    58    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    65.00000  116.34900
   33    37    41    70.00000  124.00000
   33    58    51    65.00000  118.62400
   33    58    59    80.00000  120.40000
   33    38    43    90.00000  112.10700
   37    39    40    80.00000  123.72100
   37    39    45    65.00000  118.65900
   37    41    42    65.00000  137.10300
   37    41    47    70.00000  123.01800
   39    45    46    40.00000  117.72500
   39    45    51    65.00000  118.96000
   45    39    40    80.00000  123.72100
   45    51    58    65.00000  118.96000
   45    51    60    80.00000  121.38400
   51    45    46    35.00000  120.00000
   51    58    59    80.00000  123.72100
   51    60    61    70.00000  107.45700
   58    33    37    70.00000  109.06800
   60    51    58    85.00000  116.28000
   41    37    39    60.00000  125.92000
   41    47    48    40.00000  120.50800
   41    47    52    70.00000  117.34000
   47    41    42    65.00000  137.10300
   47    52    53    35.00000  120.00000
   47    52    62    60.00000  123.20500
   52    47    48    35.00000  120.00000
   52    62    67    60.00000  120.93500
   52    62    86    60.00000  120.93500
   62    52    53    40.00000  117.26300
   62    67    68    35.00000  120.00000
   62    67    73    63.00000  120.00000
   62    86    82    63.00000  120.00000
   62    86    87    35.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    79    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    79    82    63.00000  120.00000
   73    79    84    70.00000  120.00000
   79    73    74    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    86    63.00000  120.00000
   79    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    62    67    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    79    82    70.00000  120.00000
   38    33    37    85.00000  110.90400
   38    33    58    90.00000  108.74100
   38    43    44    60.00000  105.75400
   38    43    49    90.00000  109.70700
   38    43    75   110.00000  113.16000
   43    49    50    45.00000  109.54000
   43    49    54    70.00000  111.10000
   43    49    56    90.00000  109.42000
   43    75    69    90.00000  112.10700
   49    43    44    45.00000  111.65000
   49    54    55    37.50000  110.70000
   49    54    63    58.35000  112.70000
   49    54    65    90.00000  111.45300
   49    56    57    65.00000  108.53500
   54    49    50    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    69    58.35000  112.70000
   54    63    71    90.00000  111.45300
   54    65    66    65.00000  108.53500
   63    54    55    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    75    95.00000  107.88500
   63    69    76    58.35000  112.70000
   63    71    72    65.00000  108.53500
   69    63    64    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    80    90.00000  111.45300
   75    43    44    60.00000  105.75400
   75    43    49    90.00000  109.70700
   75    69    70    55.00000  108.98800
   76    69    70    37.50000  110.70000
   76    69    75    95.00000  107.88500
   76    80    81    65.00000  108.53500
   78    76    77    33.00000  107.80000
   80    76    77    60.00000  109.39000
   80    76    78    60.00000  109.39000
   71    63    64    60.00000  109.39000
   71    63    69    90.00000  111.45300
   65    54    55    60.00000  109.39000
   65    54    63    90.00000  111.45300
   56    49    50    60.00000  109.39000
   56    49    54    90.00000  111.45300
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    58    51   0.65300  1.0 1.0
   29    33    58    51  -0.03850 -1.0 2.0
   29    33    58    51   0.33900  1.0 3.0
   29    33    58    59   0.30150 -1.0 2.0
   29    33    38    43   0.14700  1.0 1.0
   29    33    38    43  -1.16150 -1.0 2.0
   29    33    38    43   0.48700  1.0 3.0
   33    37    39    40  -0.64400  1.0 1.0
   33    37    39    40   0.26850 -1.0 2.0
   33    37    39    45   1.50000 -1.0 2.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    38    43    44   0.37050  1.0 3.0
   33    38    43    49   0.06250  1.0 1.0
   33    38    43    49  -0.01100 -1.0 2.0
   33    38    43    49   0.28050  1.0 3.0
   33    38    43    75  -0.12700  1.0 1.0
   33    38    43    75  -1.16200 -1.0 2.0
   33    38    43    75   0.58800  1.0 3.0
   37    33    58    51   0.65300  1.0 1.0
   37    33    58    51  -0.03850 -1.0 2.0
   37    33    58    51   0.33900  1.0 3.0
   37    33    58    59   0.30150 -1.0 2.0
   37    33    38    43  -0.77900  1.0 1.0
   37    33    38    43  -0.36900 -1.0 2.0
   37    33    38    43   0.40400  1.0 3.0
   37    39    45    46   0.93700 -1.0 2.0
   37    39   -45    51  -1.18350  1.0 1.0
   37    39   -45    51   1.45950 -1.0 2.0
   37    41    47    48   7.00000 -1.0 2.0
   37    41    47    52   7.00000 -1.0 2.0
   39    37    41    42   7.00000 -1.0 2.0
   39    37    41    47   7.00000 -1.0 2.0
   39    45    51    58   7.00000 -1.0 2.0
   39    45    51    60   7.00000 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    51   1.00000 -1.0 2.0
   45    51   -58    33  -0.33500  1.0 1.0
   45    51   -58    33   1.06600 -1.0 2.0
   45    51   -58    33  -0.14000  1.0 3.0
   45    51    58    59   1.00000 -1.0 2.0
   45    51    60    61  -0.66100  1.0 1.0
   45    51    60    61   1.20850 -1.0 2.0
   45    51    60    61  -0.36000  1.0 3.0
   46    45    51    58   7.00000 -1.0 2.0
   46    45    51    60   7.00000 -1.0 2.0
   58    33   -37    39   0.09700  1.0 1.0
   58    33   -37    39   0.15600 -1.0 2.0
   58    33   -37    39  -0.50800  1.0 3.0
   58    33    37    41  -0.51250  1.0 1.0
   58    33    37    41  -0.88800 -1.0 2.0
   58    33    37    41   0.08850  1.0 3.0
   58    33    38    43  -1.11000  1.0 1.0
   58    33    38    43   0.50250 -1.0 2.0
   58    33    38    43   0.47450  1.0 3.0
   58    51    60    61   2.00000 -1.0 2.0
   60    51    58    33   0.32450 -1.0 2.0
   60    51    58    33   0.17400  1.0 3.0
   60    51    58    59  -0.11900  1.0 1.0
   60    51    58    59   0.76850 -1.0 2.0
   60    51    58    59   0.14100  1.0 3.0
   41    37    39    40   1.00000 -1.0 2.0
   41    37    39    45  -1.18350  1.0 1.0
   41    37    39    45   1.45950 -1.0 2.0
   41    47    52    53   7.00000 -1.0 2.0
   41    47    52    62   7.00000 -1.0 2.0
   42    41    47    48   7.00000 -1.0 2.0
   42    41    47    52   7.00000 -1.0 2.0
   47    52    62    67   0.15800  1.0 1.0
   47    52    62    67   1.85350 -1.0 2.0
   47    52    62    67  -0.48700  1.0 3.0
   47    52    62    86   0.15800  1.0 1.0
   47    52    62    86   1.85350 -1.0 2.0
   47    52    62    86  -0.48700  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    62   7.00000 -1.0 2.0
   52    62    67    68   3.62500 -1.0 2.0
   52    62    67    73   3.62500 -1.0 2.0
   52    62    86    82   3.62500 -1.0 2.0
   52    62    86    87   3.62500 -1.0 2.0
   53    52    62    67   0.56550  1.0 3.0
   53    52    62    86   0.56550  1.0 3.0
   62    67    73    74   3.62500 -1.0 2.0
   62    67    73    79   3.62500 -1.0 2.0
   67    62    86    82   3.62500 -1.0 2.0
   67    62    86    87   3.62500 -1.0 2.0
   67    73   -79    82   3.62500 -1.0 2.0
   67    73    79    84   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    79   3.62500 -1.0 2.0
   73    79    82    83   3.62500 -1.0 2.0
   73    79    82    86   3.62500 -1.0 2.0
   73    79    84    85   0.84100 -1.0 2.0
   74    73    79    82   3.62500 -1.0 2.0
   74    73    79    84   3.62500 -1.0 2.0
   79    82   -86    62   3.62500 -1.0 2.0
   79    82    86    87   3.62500 -1.0 2.0
   82    79    84    85   0.84100 -1.0 2.0
   83    82    86    62   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    62    67    68   3.62500 -1.0 2.0
   86    62   -67    73   3.62500 -1.0 2.0
   84    79    82    83   3.62500 -1.0 2.0
   84    79    82    86   3.62500 -1.0 2.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    41   0.39000  1.0 1.0
   38    33    37    41  -0.05800 -1.0 2.0
   38    33    37    41  -0.55150  1.0 3.0
   38    33    58    51   0.65300  1.0 1.0
   38    33    58    51  -0.03850 -1.0 2.0
   38    33    58    51   0.33900  1.0 3.0
   38    33    58    59   0.30150 -1.0 2.0
   38    43    49    50   0.23400  1.0 3.0
   38    43    49    54   0.62750  1.0 1.0
   38    43    49    54  -0.30950 -1.0 2.0
   38    43    49    54   0.27300  1.0 3.0
   38    43    49    56   1.51850  1.0 1.0
   38    43    75    69  -0.70400  1.0 1.0
   38    43    75    69  -0.90350 -1.0 2.0
   43    49    54    55   0.15000  1.0 3.0
   43    49    54    63   0.56750  1.0 1.0
   43    49    54    63  -0.07550 -1.0 2.0
   43    49    54    63   0.20000  1.0 3.0
   43    49    54    65  -0.47750  1.0 1.0
   43    49    56    57   0.29150  1.0 1.0
   43    49    56    57  -0.28350 -1.0 2.0
   43    49    56    57   0.43600  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    54   0.15000  1.0 3.0
   44    43    49    56   0.23400  1.0 3.0
   44    43    75    69   0.37050  1.0 3.0
   49    43    75    69   0.06250  1.0 1.0
   49    43    75    69  -0.01100 -1.0 2.0
   49    43    75    69   0.28050  1.0 3.0
   49    54    63    64   0.15000  1.0 3.0
   49    54   -63    69   0.56750  1.0 1.0
   49    54   -63    69  -0.07550 -1.0 2.0
   49    54   -63    69   0.20000  1.0 3.0
   49    54    63    71  -0.47750  1.0 1.0
   49    54    65    66   0.29150  1.0 1.0
   49    54    65    66  -0.28350 -1.0 2.0
   49    54    65    66   0.43600  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    63   0.15000  1.0 3.0
   50    49    54    65   0.23400  1.0 3.0
   50    49    56    57   0.19450  1.0 3.0
   54    49    56    57   0.29150  1.0 1.0
   54    49    56    57  -0.28350 -1.0 2.0
   54    49    56    57   0.43600  1.0 3.0
   54    63    69    70   0.15000  1.0 3.0
   54    63    69    75   0.62750  1.0 1.0
   54    63    69    75  -0.30950 -1.0 2.0
   54    63    69    75   0.27300  1.0 3.0
   54    63    69    76   0.56750  1.0 1.0
   54    63    69    76  -0.07550 -1.0 2.0
   54    63    69    76   0.20000  1.0 3.0
   54    63    71    72   0.29150  1.0 1.0
   54    63    71    72  -0.28350 -1.0 2.0
   54    63    71    72   0.43600  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    69   0.15000  1.0 3.0
   55    54    63    71   0.23400  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   63    54    65    66   0.29150  1.0 1.0
   63    54    65    66  -0.28350 -1.0 2.0
   63    54    65    66   0.43600  1.0 3.0
   63    69   -75    43   0.06250  1.0 1.0
   63    69   -75    43  -0.01100 -1.0 2.0
   63    69   -75    43   0.28050  1.0 3.0
   63    69    76    77   0.15000  1.0 3.0
   63    69    76    78   0.15000  1.0 3.0
   63    69    76    80  -0.47750  1.0 1.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    75   0.23400  1.0 3.0
   64    63    69    76   0.15000  1.0 3.0
   64    63    71    72   0.19450  1.0 3.0
   69    63    71    72   0.29150  1.0 1.0
   69    63    71    72  -0.28350 -1.0 2.0
   69    63    71    72   0.43600  1.0 3.0
   69    76    80    81   0.29150  1.0 1.0
   69    76    80    81  -0.28350 -1.0 2.0
   69    76    80    81   0.43600  1.0 3.0
   70    69    75    43   0.37050  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    80   0.23400  1.0 3.0
   75    43    49    50   0.23400  1.0 3.0
   75    43   -49    54   0.62750  1.0 1.0
   75    43   -49    54  -0.30950 -1.0 2.0
   75    43   -49    54   0.27300  1.0 3.0
   75    43    49    56   1.51850  1.0 1.0
   75    69    76    77   0.23400  1.0 3.0
   75    69    76    78   0.23400  1.0 3.0
   75    69    76    80   1.51850  1.0 1.0
   76    69    75    43   0.06250  1.0 1.0
   76    69    75    43  -0.01100 -1.0 2.0
   76    69    75    43   0.28050  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   78    76    80    81   0.19450  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    75   1.51850  1.0 1.0
   71    63    69    76  -0.47750  1.0 1.0
   65    54    63    64   0.23400  1.0 3.0
   65    54    63    69  -0.47750  1.0 1.0
   65    54    63    71   3.77950  1.0 1.0
   56    49    54    55   0.23400  1.0 3.0
   56    49    54    63  -0.47750  1.0 1.0
   56    49    54    65   3.77950  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
   33    39    37    41   1.10000 -1.0 2.0
   37    45    39    40  10.50000 -1.0 2.0
   39    46    45    51   1.10000 -1.0 2.0
   58    60    51    45   1.10000 -1.0 2.0
   33    51    58    59  10.50000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   41    48    47    52  15.00000 -1.0 2.0
   62    53    52    47  15.00000 -1.0 2.0
   67    86    62    52   4.00000 -1.0 2.0
   73    68    67    62   1.10000 -1.0 2.0
   79    74    73    67   1.10000 -1.0 2.0
   82    84    79    73   4.00000 -1.0 2.0
   86    83    82    79   1.10000 -1.0 2.0
   82    87    86    62   1.10000 -1.0 2.0
END
