* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    155    250     467
    1     0 S   NP   _N1_     1    29.39479    99.80384   -19.73116
    2     1 S   H    _HN1     2     1.02794   100.44532  -123.16121
    3     1 S   H    _H1_     3     1.02864    53.24965   -18.15978
    4     1 S   H    _H2_     4     1.02966    59.52959   132.27474
    5     1 S   CT   _CA1     5     1.50551   147.36864    52.80200
    6     5 S   HC   _HA1     6     1.09692   104.61211   127.83497
    7     5 S   CO3  _C1_     7     1.54309   110.79779    12.03101
    8     7 S   O2Z  _O11     8     1.26057   116.73999  -118.59747
    9     7 S   O2Z  _O12     9     1.26550   113.75576    60.55050
   10     5 S   CT   _CB1    10     1.53061   106.98078  -116.15234
   11    10 S   HC   HB11    11     1.09847   109.76580   -42.69127
   12    10 S   HC   HB12    12     1.09780   110.23569    73.87038
   13    10 S   CT   _CG1    13     1.53084   112.58756  -163.28725
   14    13 S   HC   HG11    14     1.09278   111.07160   -60.57099
   15    13 S   HC   HG12    15     1.09624   109.79147    58.58806
   16    13 S   C    _CD1    16     1.51700   111.98494   178.80302
   17    16 S   O    _OE1    17     1.22801   123.17150     1.44807
   18    16 S   N    _N2_    18     1.38628   112.02491  -177.97281
   19    18 S   H    _HN2    19     1.01631   119.13603     3.82147
   20    18 S   CT1  _CA2    20     1.45591   122.06300   175.62946
   21    20 S   HC   _HA2    21     1.09718   108.84500    28.90631
   22    20 S   C    _C2_    22     1.53059   106.49289   -88.04091
   23    22 S   O    _O2_    23     1.23022   122.81233   -29.58136
   24    20 S   CT   _CB2    32     1.53022   113.21343   152.56554
   25    24 S   HC   HB21    33     1.09299   110.80639    57.32187
   26    24 S   HC   HB22    34     1.09611   109.44108   173.90561
   27    22 S   N    _N3_    24     1.38563   112.54022   153.31677
   28    27 S   H    _HN3    25     1.01499   119.75438     1.10818
   29    24 S   S    _SG2    35     1.82834   112.68975   -68.32390
   30    27 S   CT   _CA3    26     1.45431   122.68881   175.70819
   31    30 S   HC   HA31    27     1.09549   108.79395    33.20145
   32    30 S   HC   HA32    28     1.09476   107.22976   150.27859
   33    29 S   CT   _C10    36     1.85075   101.31220   102.45216
   34    33 S   HC   _H3_    37     1.09399   104.79506   -57.22274
   35    30 S   CO3  _C3_    29     1.53042   113.60422   -89.74579
   36    35 S   O2Z  _O31    30     1.26370   115.77122   -33.08152
   37    35 S   O2Z  _O32    31     1.26406   114.70606   147.76072
   38    33 S   CA   _C9_    38     1.51973   111.99163    61.95163
   39    33 S   CM   _C11    51     1.52099   108.41787  -173.86333
   40    39 S   HC   _H12    52     1.09307   114.71041   -33.79708
   41    38 S   CA   _C4_    39     1.40486   122.08595    65.83956
   42    41 S   HA   _H9_    40     1.08749   120.42170    -0.32984
   43    39 S   CMA  _C12    53     1.35985   129.61300   146.13082
   44    43 S   OM   _O41    54     1.26675   126.85735  -179.30170
   45    41 S   CA   _C5_    41     1.39723   120.75990   179.34898
   46    45 S   HA   _H10    42     1.08617   119.26408  -179.81655
   47    43 S   CA   _C13    55     1.49964   114.08744     2.20158
   48    45 S   CA   _C6_    43     1.39336   119.79964     0.10835
   49    47 S   CA   _C14    56     1.40720   121.21454   -91.92967
   50    48 S   CA   _C7_    44     1.39100   120.13209     0.08847
   51    48 S   OH   _O43    49     1.36709   120.49182  -179.96574
   52    51 S   HO   _H24    50     0.97206   108.63972    -0.27268
   53    49 S   CA   _C15    57     1.39620   120.97010   177.70169
   54    53 S   HA   _H13    58     1.08517   120.79755  -179.64946
   55    49 S   OH   _O40    88     1.37121   119.64652    -1.51955
   56    55 S   HO   _H22    89     0.97585   109.35962  -176.62339
   57    38 S   CA   _C8_    45     1.40542   119.33563  -114.71466
   58    57 S   HA   _H11    46     1.08702   119.64271     0.11364
   59    50 S   OH   _O42    47     1.36733   119.57584   179.71401
   60    59 S   HO   _H23    48     0.97219   108.37364  -175.55560
   61    53 S   CA   _C16    59     1.39314   119.72606    -1.04436
   62    61 S   CA   _C17    60     1.39308   120.62254     3.58883
   63    62 S   HA   _H14    61     1.08569   120.28559   176.89600
   64    61 S   OS   _O34    65     1.36978   117.55583  -179.27046
   65    47 S   CA   _C18    62     1.40956   120.83576    87.70076
   66    64 S   CO   _C19    66     1.44280   112.19983   115.23833
   67    66 S   HC   _H4_    67     1.09851   109.36384    59.30840
   68    65 S   OH   _O33    63     1.37205   119.53617     2.05471
   69    68 S   HO   _H15    64     0.97127   109.05713  -178.99790
   70    66 S   CT   _C20    68     1.53540   106.72253   177.71432
   71    70 S   HC   _H5_    69     1.09688   109.89477    52.65448
   72    70 S   CT   _C21    70     1.53056   111.39434   174.62123
   73    72 S   HC   _H6_    71     1.09668   110.24920    73.68499
   74    70 S   OH   _O39    86     1.42950   109.93092   -63.96823
   75    74 S   HO   _H21    87     0.97227   108.28405   -62.53634
   76    72 S   CT   _C22    72     1.53120   111.34945   -48.98020
   77    76 S   HC   _H7_    73     1.09705   109.09260   -71.13987
   78    72 S   OH   _O38    84     1.42921   109.62470  -170.44755
   79    78 S   HO   _H20    85     0.97242   108.19360    60.73462
   80    76 S   CT   _C23    74     1.53210   110.58925    50.07166
   81    80 S   HC   _H8_    75     1.09807   110.88656    63.66871
   82    76 S   OH   _O37    82     1.42573   109.68541   171.98923
   83    82 S   HO   _H19    83     0.97253   108.30501   -57.39263
   84    66 S   OS   _O35    76     1.43297   111.42619   -62.52385
   85    80 S   CT   _C24    77     1.53024   111.45366  -175.69538
   86    85 S   HC   _H16    78     1.09467   111.12324    69.45579
   87    85 S   HC   _H17    79     1.09405   111.42337   -52.88121
   88    85 S   OH   _O36    80     1.42439   109.15163  -171.75721
   89    88 S   HO   _H18    81     0.97523   106.77653   175.59473
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  11   7
   9   6   3   1   9   4   3   1   3   1   1   1   9   6   3   9
   2  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    57    58    59    39    40    43  
   40    43    44    47    49    65    41    57  
   43    44    47  
   42    45    46    48    50    57    58    51  
   45    46    48    57  
   44    47    49    53    62    65    68    55  
   47    49    65  
   46    48    50    57    59    51    52  
   48    50    51  
   49    53    54    61    62    63    65    68    69    55    56  
   50    57    58    59    60    51    52  
   53    54    61    62    65    68    64    55    56  
   57    58    59    60    51    52  
   52    57    59  
    0  
   54    61    62    63    65    64    66    55    56  
   61    62    64    55  
   56    61    65  
    0  
   58    59    60  
   59  
   60  
    0  
   62    63    65    68    64    66    67    70    84  
   63    65    68    69    64    66  
   65    68    64  
   66    67    70    71    72    80    84    74    65  
   68    69  
   67    70    71    72    73    76    80    81    84    85    78    74    75  
   70    71    72    80    84    74  
   69  
    0  
   71    72    73    76    77    80    84    82    78    79    74    75  
   72    73    76    84    78    74    75  
   73    76    77    80    81    84    85    82    83    78    79    74    75  
   76    77    80    82    78    79    74  
   75    76    78    84  
    0  
   77    80    81    84    85    86    87    88    82    83    78    79  
   80    81    84    85    82    83    78  
   79    80    82  
    0  
   81    84    85    86    87    88    89    82    83  
   84    85    86    87    88    82  
   83    84    85  
    0  
   85    86    87    88  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    57   469.000  1.400
   50    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    65   469.000  1.400
   49    53   469.000  1.400
   49    55   450.000  1.364
   53    54   367.000  1.080
   53    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   64    66   320.000  1.380
   66    67   340.000  1.090
   66    70   250.000  1.527
   66    84   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   320.000  1.410
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   55    56   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    50    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    50    59    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    57    58    35.00000  120.00000
   50    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    50    57    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    65    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    53    63.00000  120.00000
   47    49    55    70.00000  120.00000
   47    65    62    63.00000  120.00000
   47    65    68    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    61    63.00000  120.00000
   49    55    56    35.00000  113.00000
   53    61    62    63.00000  120.00000
   53    61    64    70.00000  120.00000
   61    53    54    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   61    64    66   100.00000  112.36700
   62    65    68    70.00000  120.00000
   65    47    49    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  113.00000
   64    61    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    70    90.00000  108.56700
   64    66    84    92.60000  111.55000
   66    70    71    45.00000  108.72000
   66    70    72    75.00000  109.43000
   66    70    74    90.00000  111.58700
   66    84    80    60.00000  109.50000
   70    66    67    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    58.35000  112.70000
   72    76    82    50.00000  109.50000
   72    78    79    55.00000  108.50000
   76    72    73    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    84    50.00000  109.50000
   76    80    85    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    50.00000  109.50000
   84    66    67    35.00000  109.50000
   84    66    70    90.00000  108.56700
   84    80    81    35.00000  109.50000
   85    80    81    37.50000  110.70000
   85    80    84    50.00000  109.50000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   78    72    73    35.00000  109.50000
   78    72    76    50.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   55    49    53    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    50   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    50   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    57   3.62500 -1.0 2.0
   45    48    50    59   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -57    38   3.62500 -1.0 2.0
   48    50    57    58   3.62500 -1.0 2.0
   48    50    59    60   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    50    59    60   0.84100 -1.0 2.0
   59    50    57    38   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   51    48    50    57   3.62500 -1.0 2.0
   51    48    50    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    65   0.15800  1.0 1.0
   39    43    47    65   1.85350 -1.0 2.0
   39    43    47    65  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47    49    55   3.62500 -1.0 2.0
   43    47    65    62   3.62500 -1.0 2.0
   43    47    65    68   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    65  -0.01750  1.0 1.0
   44    43    47    65  -0.32000 -1.0 2.0
   44    43    47    65   0.00600  1.0 3.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    61   3.62500 -1.0 2.0
   47    49    55    56   0.84100 -1.0 2.0
   47    65    68    69   0.84100 -1.0 2.0
   49    47    65    62   3.62500 -1.0 2.0
   49    47    65    68   3.62500 -1.0 2.0
   49    53   -61    62   3.62500 -1.0 2.0
   49    53    61    64   3.62500 -1.0 2.0
   53    49    55    56   0.84100 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61    62    65   3.62500 -1.0 2.0
   53    61    64    66   1.63200 -1.0 2.0
   54    53    61    62   3.62500 -1.0 2.0
   54    53    61    64   3.62500 -1.0 2.0
   61    62   -65    47   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   61    64    66    67   0.08050  1.0 3.0
   61    64    66    70  -0.32850  1.0 1.0
   61    64    66    70  -0.35800 -1.0 2.0
   61    64    66    70   0.33950  1.0 3.0
   61    64    66    84  -0.25600  1.0 1.0
   61    64    66    84  -0.40050 -1.0 2.0
   61    64    66    84   0.34700  1.0 3.0
   62    61    64    66   1.63200 -1.0 2.0
   62    65    68    69   0.84100 -1.0 2.0
   63    62    65    47   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    47   -49    53   3.62500 -1.0 2.0
   65    47    49    55   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   64    66    70    71   0.23400  1.0 3.0
   64    66    70    72   0.62750  1.0 1.0
   64    66    70    72  -0.30950 -1.0 2.0
   64    66    70    72   0.27300  1.0 3.0
   64    66    70    74   3.69350  1.0 1.0
   64    66    70    74  -1.82950 -1.0 2.0
   64    66    84    80  -0.81800  1.0 1.0
   66    70    72    73   0.15000  1.0 3.0
   66    70    72    76   3.97050  1.0 1.0
   66    70    72    78   0.86500  1.0 1.0
   66    70    72    78  -0.17500 -1.0 2.0
   66    70    72    78   0.20800  1.0 3.0
   66    70    74    75  -0.11600  1.0 1.0
   66    70    74    75  -0.09450 -1.0 2.0
   66    70    74    75   0.21250  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    84    80   0.37050  1.0 3.0
   70    66    84    80   0.06250  1.0 1.0
   70    66    84    80  -0.01100 -1.0 2.0
   70    66    84    80   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72   -76    80   0.56750  1.0 1.0
   70    72   -76    80  -0.07550 -1.0 2.0
   70    72   -76    80   0.20000  1.0 3.0
   70    72    76    82   0.86500  1.0 1.0
   70    72    76    82  -0.17500 -1.0 2.0
   70    72    76    82   0.20800  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76    80    81   0.15000  1.0 3.0
   72    76    80    84   0.62750  1.0 1.0
   72    76    80    84  -0.30950 -1.0 2.0
   72    76    80    84   0.27300  1.0 3.0
   72    76    80    85   0.56750  1.0 1.0
   72    76    80    85  -0.07550 -1.0 2.0
   72    76    80    85   0.20000  1.0 3.0
   72    76    82    83  -0.11600  1.0 1.0
   72    76    82    83  -0.09450 -1.0 2.0
   72    76    82    83   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    82   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    80   -84    66   0.06250  1.0 1.0
   76    80   -84    66  -0.01100 -1.0 2.0
   76    80   -84    66   0.28050  1.0 3.0
   76    80    85    86   0.15000  1.0 3.0
   76    80    85    87   0.15000  1.0 3.0
   76    80    85    88   0.86500  1.0 1.0
   76    80    85    88  -0.17500 -1.0 2.0
   76    80    85    88   0.20800  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    84   0.23400  1.0 3.0
   77    76    80    85   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   80    76    82    83  -0.11600  1.0 1.0
   80    76    82    83  -0.09450 -1.0 2.0
   80    76    82    83   0.21250  1.0 3.0
   80    85    88    89  -0.11600  1.0 1.0
   80    85    88    89  -0.09450 -1.0 2.0
   80    85    88    89   0.21250  1.0 3.0
   81    80    84    66   0.37050  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.23400  1.0 3.0
   84    66    70    71   0.23400  1.0 3.0
   84    66   -70    72   0.62750  1.0 1.0
   84    66   -70    72  -0.30950 -1.0 2.0
   84    66   -70    72   0.27300  1.0 3.0
   84    66    70    74   3.69350  1.0 1.0
   84    66    70    74  -1.82950 -1.0 2.0
   84    80    85    86   0.23400  1.0 3.0
   84    80    85    87   0.23400  1.0 3.0
   84    80    85    88   3.69350  1.0 1.0
   84    80    85    88  -1.82950 -1.0 2.0
   85    80    84    66   0.06250  1.0 1.0
   85    80    84    66  -0.01100 -1.0 2.0
   85    80    84    66   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   3.69350  1.0 1.0
   82    76    80    84  -1.82950 -1.0 2.0
   82    76    80    85   0.86500  1.0 1.0
   82    76    80    85  -0.17500 -1.0 2.0
   82    76    80    85   0.20800  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   0.86500  1.0 1.0
   78    72    76    80  -0.17500 -1.0 2.0
   78    72    76    80   0.20800  1.0 3.0
   78    72    76    82   3.75450  1.0 1.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   57    59    50    48   4.00000 -1.0 2.0
   50    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    65    47    43   4.00000 -1.0 2.0
   53    55    49    47   4.00000 -1.0 2.0
   61    54    53    49   1.10000 -1.0 2.0
   62    64    61    53   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   62    68    65    47   4.00000 -1.0 2.0
END
