* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    245     465
    1     0 S   NP   _N1_     1    28.83746    98.56412   -22.07855
    2     1 S   H    _HN1     2     1.02777   105.28888  -108.67302
    3     1 S   H    _H1_     3     1.02958    62.97022    -5.56930
    4     1 S   H    _H2_     4     1.02836    47.38225   150.87945
    5     1 S   CT   _CA1     5     1.50123   141.61399    83.61780
    6     5 S   HC   _HA1     6     1.09576   105.22471   105.70307
    7     5 S   CO3  _C1_     7     1.53793   112.38019   -14.50291
    8     7 S   O2Z  _O11     8     1.26364   115.00026   -43.75895
    9     7 S   O2Z  _O12     9     1.26238   114.93235   135.38886
   10     5 S   CT   _CB1    10     1.53101   107.42474  -136.37868
   11    10 S   HC   HB11    11     1.09826   109.34727   -50.58090
   12    10 S   HC   HB12    12     1.09817   110.41755    65.97966
   13    10 S   CT   _CG1    13     1.53008   112.66014  -171.66224
   14    13 S   HC   HG11    14     1.09597   110.47595   -64.01211
   15    13 S   HC   HG12    15     1.09655   109.93773    55.18211
   16    13 S   C    _CD1    16     1.51833   112.34539   175.55882
   17    16 S   O    _OE1    17     1.22741   123.31807    -0.63612
   18    16 S   N    _N2_    18     1.38552   111.66968   179.31414
   19    18 S   H    _HN2    19     1.01559   118.96777     4.80705
   20    18 S   CT1  _CA2    20     1.45796   122.93165   177.98190
   21    20 S   HC   _HA2    21     1.09686   109.17332    21.99389
   22    20 S   C    _C2_    22     1.52935   106.91636   -95.59584
   23    22 S   O    _O2_    23     1.23002   122.96216   -26.80284
   24    20 S   CT   _CB2    32     1.53013   112.16251   145.39463
   25    24 S   HC   HB21    33     1.09441   109.69400    57.99981
   26    24 S   HC   HB22    34     1.09462   110.05561   176.43877
   27    22 S   N    _N3_    24     1.38444   112.64356   156.49654
   28    27 S   H    _HN3    25     1.01654   120.41482    -2.68453
   29    24 S   S    _SG2    35     1.82532   112.12545   -63.74299
   30    27 S   CT   _CA3    26     1.45344   122.42470   177.54880
   31    30 S   HC   HA31    27     1.09581   107.73674   -56.14955
   32    30 S   HC   HA32    28     1.09562   107.66234    60.18044
   33    29 S   CT   _C23    36     1.83973    99.07412   169.54174
   34    33 S   HC   _H3_    37     1.09656   106.86209    39.75680
   35    30 S   CO3  _C3_    29     1.52880   114.34828  -178.03846
   36    35 S   O2Z  _O31    30     1.26334   116.07228    -1.91438
   37    35 S   O2Z  _O32    31     1.26442   114.39781   178.10938
   38    33 S   CT   _C20    38     1.52972   108.04444   154.45373
   39    38 S   HC   _H44    39     1.09530   112.53557    58.77738
   40    38 S   HC   _H45    40     1.09632   110.88235   -61.91148
   41    38 S   HC   _H46    41     1.09522   110.72561   179.52563
   42    33 S   CT   _C22    42     1.54578   111.19583   -80.03616
   43    42 S   HC   _H49    43     1.09824   110.18764    46.83322
   44    42 S   CO4  _C12    44     1.52246   109.78734   162.31160
   45    44 S   O    _O23    45     1.22294   124.96693   106.78203
   46    42 S   CT   _C19    82     1.53142   115.02356   -72.99060
   47    46 S   HC   _H41    83     1.09492   112.07050   -63.94822
   48    46 S   HC   _H42    84     1.09629   110.23007   177.23445
   49    46 S   HC   _H43    85     1.09401   111.58093    57.82185
   50    44 S   OS   _O27    46     1.36688   109.16934   -74.13562
   51    50 S   CT   _C16    47     1.44224   118.05380  -176.61314
   52    51 S   HC   _H37    48     1.09855   107.60183   -31.35381
   53    51 S   CT   _C13    49     1.55402   108.15587  -142.19957
   54    53 S   HC   _H33    50     1.09888   107.09785    57.65681
   55    53 S   HC   _H34    51     1.09855   106.56403   171.85430
   56    51 S   CT   _C15    63     1.56636   112.52071    88.58165
   57    56 S   HC   _H36    64     1.09710   109.23753   140.61365
   58    53 S   CT   _C17    52     1.53992   120.03521   -65.07308
   59    56 S   CM   _C8_    65     1.49822   112.30444  -102.30529
   60    58 S   CO4  _C9_    53     1.50840   114.45796    57.93314
   61    60 S   O    _O21    54     1.22046   126.08639    69.18330
   62    59 S   CO4  _C10    66     1.46879   111.06523   122.56539
   63    62 S   O    _O22    67     1.21782   126.97436  -177.83174
   64    59 S   CM   _C11    69     1.33749   127.95185   -59.89123
   65    64 S   HC   _H31    70     1.08501   120.90718     0.98616
   66    64 S   HC   _H32    71     1.08526   121.87058  -178.79099
   67    58 S   CT   _C18    78     1.52663   111.38287  -176.56419
   68    67 S   HC   _H38    79     1.09567   110.87592    61.04139
   69    67 S   HC   _H39    80     1.09503   111.55652   -60.27565
   70    67 S   HC   _H40    81     1.09648   111.04547   179.31158
   71    60 S   CM   _C4_    55     1.45821   110.28128  -108.68914
   72    71 S   HC   _H29    56     1.07402   127.11249   166.27742
   73    82 S   OS   _O25    68     1.44472   107.45005   173.33064
   74    71 S   CM   _C7_    57     1.33150   101.15987    -3.31918
   75    74 S   CM   _C6_    58     1.44047   126.21682   161.93552
   76    58 S   OS   _O24    77     1.43114   109.67700   -56.76266
   77    75 S   CM   _C5_    59     1.34892   119.41791   -86.10034
   78    77 S   HC   _H30    60     1.08834   118.56483  -179.33559
   79    75 S   CT   _C21    72     1.50046   117.42094    94.51345
   80    79 S   HC   _H47    73     1.09562   110.57601   -55.57860
   81    79 S   HC   _H48    74     1.09531   111.59454  -175.76340
   82    77 S   CT   _C14    61     1.51606   124.80122     3.47750
   83    82 S   HC   _H35    62     1.09343   106.93315    61.62560
   84    79 S   OH   _O26    75     1.42164   109.76667    64.46941
   85    84 S   HO   _H51    76     0.97224   107.03545  -179.08038
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4
   1   1   6   3   2   1   6   3   5   9  10   2   7   3   5   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    82    56    57    59  
   52    53    54    55    58    60    77    82    83    56    57    59    62    73    64    76    67  
   53    54    55    58    82    56    57    59  
   54    55    58    60    61    71    74    82    56    57    59    76    67    68    69    70  
   55    58    60    56    76    67  
   58    60    56    76    67  
   57    59    62    63    73    64    65    66    58    75    77    78    82    83  
   59    62    73    64    77    82    83  
   60    61    71    72    74    75    76    67    68    69    70  
   62    63    73    64    65    66    77    82    83  
   61    71    72    74    75    76    67    68    69    70  
   71    72    74    76    67  
   63    73    64    65    66    77    82    83  
   73    64    82  
   65    66    73    82  
   66  
    0  
   68    69    70    71    74    76  
   69    70    76  
   70    76  
   76  
   72    74    75    77    79    76  
   74    75    76  
   75    77    78    82    83  
   75    77    78    82    79    80    81    84    76  
   77    78    82    83    79    80    81    84    85    76  
   77    79  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    85    82  
   81    84    85  
   84    85  
   83  
    0  
   85  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    60   317.000  1.522
   58    76   320.000  1.410
   58    67   268.000  1.529
   60    61   570.000  1.229
   60    71   320.000  1.462
   71    72   340.000  1.080
   71    74   549.000  1.340
   74    75   380.000  1.444
   74    76   440.000  1.360
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    56   268.000  1.529
   82    73   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    73   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    85   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    82    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    63.00000  111.10000
   53    58    76    50.00000  109.50000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    60    61    80.00000  120.40000
   58    60    71    65.00000  118.62400
   58    76    74    90.00000  111.18400
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   60    71    72    40.00000  117.72500
   60    71    74    65.00000  118.96000
   71    60    61    80.00000  123.72100
   71    74    75    70.00000  123.01800
   71    74    76    80.00000  120.01400
   74    71    72    35.00000  120.00000
   74    75    77    70.00000  123.01800
   74    75    79    70.00000  124.00000
   75    77    78    35.00000  120.00000
   75    77    82    70.00000  124.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    84    90.00000  110.39200
   77    82    83    35.00000  109.50000
   77    82    56    70.00000  112.02700
   77    82    73    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    56    57    37.50000  110.70000
   82    56    59    70.00000  112.02700
   82    73    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    82    83    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    73    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   73    82    83    35.00000  109.50000
   73    82    56    50.00000  109.50000
   73    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   79    75    77    70.00000  124.00000
   79    84    85    55.00000  108.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   76    58    60    90.00000  108.74100
   76    74    75    80.00000  120.01400
   67    58    60    63.00000  111.10000
   67    58    76    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.62750  1.0 1.0
   50    51    53    58  -0.30950 -1.0 2.0
   50    51    53    58   0.27300  1.0 3.0
   50    51    56    82   0.62750  1.0 1.0
   50    51    56    82  -0.30950 -1.0 2.0
   50    51    56    82   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60  -0.95700  1.0 1.0
   51    53    58    60  -0.18200 -1.0 2.0
   51    53    58    60   0.29450  1.0 3.0
   51    53    58    76   0.62750  1.0 1.0
   51    53    58    76  -0.30950 -1.0 2.0
   51    53    58    76   0.27300  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    82   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    82   0.56750  1.0 1.0
   53    51    56    82  -0.07550 -1.0 2.0
   53    51    56    82   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   0.30150 -1.0 2.0
   53    58    60    71   0.65300  1.0 1.0
   53    58    60    71  -0.03850 -1.0 2.0
   53    58    60    71   0.33900  1.0 3.0
   53    58    76    74  -0.46850  1.0 1.0
   53    58    76    74   0.09300 -1.0 2.0
   53    58    76    74  -0.12850  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    60  -0.11250  1.0 3.0
   54    53    58    76   0.23400  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    60  -0.11250  1.0 3.0
   55    53    58    76   0.23400  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    60    71    72   0.04550  1.0 1.0
   58    60    71    72   0.83000 -1.0 2.0
   58    60    71    72  -0.04000  1.0 3.0
   58    60   -71    74  -0.33500  1.0 1.0
   58    60   -71    74   1.06600 -1.0 2.0
   58    60   -71    74  -0.14000  1.0 3.0
   60    58   -76    74  -0.48150  1.0 1.0
   60    58   -76    74   0.09250 -1.0 2.0
   60    58   -76    74  -0.12850  1.0 3.0
   60    58    67    68  -0.11250  1.0 3.0
   60    58    67    69  -0.11250  1.0 3.0
   60    58    67    70  -0.11250  1.0 3.0
   60    71    74    75   7.00000 -1.0 2.0
   60    71   -74    76   7.00000 -1.0 2.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    74   1.00000 -1.0 2.0
   71    74    75    77   0.28850  1.0 1.0
   71    74    75    77   2.61350 -1.0 2.0
   71    74    75    77   0.78400  1.0 3.0
   71    74    75    79  -0.18600  1.0 3.0
   71    74   -76    58  -2.26850  1.0 1.0
   71    74   -76    58   3.39050 -1.0 2.0
   72    71    74    75   7.00000 -1.0 2.0
   72    71    74    76   7.00000 -1.0 2.0
   74    75    77    78   7.00000 -1.0 2.0
   74    75    77    82   7.00000 -1.0 2.0
   74    75    79    80   0.00000  1.0 1.0
   74    75    79    81   0.00000  1.0 1.0
   74    75    79    84  -0.17300  1.0 1.0
   74    75    79    84   0.35150 -1.0 2.0
   74    75    79    84   0.31550  1.0 3.0
   75    74    76    58  -2.26850  1.0 1.0
   75    74    76    58   3.39050 -1.0 2.0
   75    77    82    83   0.00000  1.0 1.0
   75    77    82    56   0.09850  1.0 1.0
   75    77    82    56   0.15250 -1.0 2.0
   75    77    82    56  -0.50650  1.0 3.0
   75    77    82    73   0.39000  1.0 1.0
   75    77    82    73  -0.05800 -1.0 2.0
   75    77    82    73  -0.55150  1.0 3.0
   75    79    84    85  -0.07800  1.0 1.0
   75    79    84    85  -0.21500 -1.0 2.0
   75    79    84    85  -0.03150  1.0 3.0
   77    75    79    80   0.00000  1.0 1.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    84   0.67800  1.0 1.0
   77    75    79    84   0.47050 -1.0 2.0
   77    75    79    84  -0.62500  1.0 3.0
   77    82    56    51   0.34400  1.0 1.0
   77    82    56    51   0.09450 -1.0 2.0
   77    82    56    51   0.11100  1.0 3.0
   77    82    56    57   0.15000  1.0 3.0
   77    82    56    59   0.31000  1.0 1.0
   77    82    56    59   0.14700 -1.0 2.0
   77    82    56    59   0.07550  1.0 3.0
   77    82    73    62  -0.82050  1.0 1.0
   77    82    73    62   0.00600 -1.0 2.0
   77    82    73    62   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    56   0.00000  1.0 1.0
   78    77    82    73   0.00000  1.0 1.0
   82    56   -59    62   0.09700  1.0 1.0
   82    56   -59    62   0.15600 -1.0 2.0
   82    56   -59    62  -0.50800  1.0 3.0
   82    56    59    64   0.09850  1.0 1.0
   82    56    59    64   0.15250 -1.0 2.0
   82    56    59    64  -0.50650  1.0 3.0
   83    82    56    51   0.15000  1.0 3.0
   83    82    56    57   0.15000  1.0 3.0
   83    82    56    59   0.15000  1.0 3.0
   83    82    73    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.56750  1.0 1.0
   56    51    53    58  -0.07550 -1.0 2.0
   56    51    53    58   0.20000  1.0 3.0
   56    82   -73    62  -0.25900  1.0 1.0
   56    82   -73    62  -0.47000 -1.0 2.0
   56    82   -73    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    73  -0.15000  1.0 1.0
   56    59   -62    73   0.89550 -1.0 2.0
   56    59   -62    73  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -73    82   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    73    82   3.00000 -1.0 2.0
   73    82    56    51   0.62750  1.0 1.0
   73    82    56    51  -0.30950 -1.0 2.0
   73    82    56    51   0.27300  1.0 3.0
   73    82    56    57   0.23400  1.0 3.0
   73    82   -56    59   0.61850  1.0 1.0
   73    82   -56    59  -0.22750 -1.0 2.0
   73    82   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    73  -0.56150  1.0 1.0
   64    59    62    73   2.19150 -1.0 2.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    82   7.00000 -1.0 2.0
   80    79    84    85   0.19450  1.0 3.0
   81    79    84    85   0.19450  1.0 3.0
   76    58    60    61   0.30150 -1.0 2.0
   76    58   -60    71   0.65300  1.0 1.0
   76    58   -60    71  -0.03850 -1.0 2.0
   76    58   -60    71   0.33900  1.0 3.0
   76    58    67    68   0.23400  1.0 3.0
   76    58    67    69   0.23400  1.0 3.0
   76    58    67    70   0.23400  1.0 3.0
   76    74    75    77  -0.51250  1.0 1.0
   76    74    75    77   1.23350 -1.0 2.0
   76    74    75    79   1.08500 -1.0 2.0
   67    58    60    61   0.30150 -1.0 2.0
   67    58    60    71   0.65300  1.0 1.0
   67    58    60    71  -0.03850 -1.0 2.0
   67    58    60    71   0.33900  1.0 3.0
   67    58    76    74  -0.46850  1.0 1.0
   67    58    76    74   0.09300 -1.0 2.0
   67    58    76    74  -0.12850  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   58    71    60    61  10.50000 -1.0 2.0
   60    72    71    74   1.10000 -1.0 2.0
   75    76    74    71   1.10000 -1.0 2.0
   74    79    75    77   1.10000 -1.0 2.0
   82    78    77    75   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    73    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
