* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    252     475
    1     0 S   NP   _N1_     1    28.61876    96.02491   -23.13875
    2     1 S   H    _HN1     2     1.02833    36.62968   172.74290
    3     1 S   H    _H1_     3     1.02776   102.99326   -84.60843
    4     1 S   H    _H2_     4     1.02960    74.59377    21.15220
    5     1 S   CT   _CA1     5     1.50149   139.66556   124.59476
    6     5 S   HC   _HA1     6     1.09579   105.17690    87.46203
    7     5 S   CO3  _C1_     7     1.53751   112.44346   -32.61164
    8     7 S   O2Z  _O11     8     1.26356   114.97971   -41.73650
    9     7 S   O2Z  _O12     9     1.26239   114.91697   137.30086
   10     5 S   CT   _CB1    10     1.53085   107.39793  -154.69759
   11    10 S   HC   HB11    11     1.09828   109.16261   -51.00603
   12    10 S   HC   HB12    12     1.09815   110.46267    65.48953
   13    10 S   CT   _CG1    13     1.53031   112.77548  -172.13728
   14    13 S   HC   HG11    14     1.09592   110.47658   -66.88386
   15    13 S   HC   HG12    15     1.09665   109.91553    52.34556
   16    13 S   C    _CD1    16     1.51851   112.30811   172.57133
   17    16 S   O    _OE1    17     1.22730   123.24411     1.14825
   18    16 S   N    _N2_    18     1.38644   111.69798  -178.37876
   19    18 S   H    _HN2    19     1.01578   119.00822     0.70886
   20    18 S   CT1  _CA2    20     1.46128   123.38915   178.03985
   21    20 S   HC   _HA2    21     1.09733   109.40083     0.11364
   22    20 S   C    _C2_    22     1.53618   108.76388  -115.49144
   23    22 S   O    _O2_    23     1.23079   122.20723  -146.23753
   24    20 S   CT   _CB2    32     1.53192   111.66724   122.16626
   25    24 S   HC   HB21    33     1.09605   110.29735    55.42866
   26    24 S   HC   HB22    34     1.09475   109.66942   174.19161
   27    22 S   N    _N3_    24     1.38484   113.66534    41.28974
   28    27 S   H    _HN3    25     1.01477   119.07040    -0.36154
   29    24 S   S    _SG2    35     1.82823   112.26771   -65.86379
   30    27 S   CT   _CA3    26     1.45424   123.21187   175.21787
   31    30 S   HC   HA31    27     1.09538   109.07987    28.87767
   32    30 S   HC   HA32    28     1.09494   107.21166   145.81801
   33    29 S   CT   _C10    36     1.83911    98.35223   179.53061
   34    33 S   HC   _H6_    37     1.09677   106.83953   -59.96566
   35    30 S   CO3  _C3_    29     1.52900   113.00198   -94.47395
   36    35 S   O2Z  _O31    30     1.26406   115.30470   -48.87748
   37    35 S   O2Z  _O32    31     1.26345   115.04785   131.97636
   38    33 S   CT   _C9_    38     1.52720   112.04000   177.74849
   39    38 S   HC   _H5_    39     1.10145   107.11449   -59.05533
   40    33 S   OS   _O33    51     1.42736   108.67703    58.92305
   41    38 S   CT   _C8_    40     1.54523   111.96734  -174.49808
   42    41 S   HC   _H4_    41     1.09981   107.84723   162.53815
   43    38 S   CO3  _C18    82     1.54087   116.64968    60.78423
   44    43 S   O2Z  _O41    83     1.26243   116.14830    24.34739
   45    43 S   O2Z  _O40    84     1.26507   114.54290  -156.30021
   46    41 S   CM   _C4_    42     1.50781   117.95404   -76.58975
   47    46 S   HC   _H13    43     1.08094   124.69644   -38.92271
   48    46 S   CM   _C5_    44     1.33876   111.56019   146.19445
   49    48 S   HC   _H14    45     1.08088   124.28581   176.11788
   50    48 S   CT   _C6_    46     1.50207   111.81113    -1.91039
   51    41 S   CT   _C7_    47     1.55300   113.90085    40.79933
   52    51 S   HC   _H3_    48     1.09855   109.30261    82.68518
   53    50 S   CT   _C19    75     1.53551   112.40298   100.82876
   54    53 S   HC   _H21    76     1.09515   112.07019   -57.18509
   55    53 S   HC   _H22    77     1.09555   110.04630  -178.25572
   56    50 S   OH   _O43    80     1.42063   109.22922  -137.72351
   57    56 S   HO   _H24    81     0.97300   107.60781   165.27076
   58    51 S   CO   _C11    49     1.54542   112.28778   -37.10474
   59    58 S   HC   _H7_    50     1.09770   110.90610   -72.38892
   60    53 S   OH   _O42    78     1.42536   110.46320    63.59720
   61    60 S   HO   _H23    79     0.97221   107.03107   179.58175
   62    58 S   OS1  _O34    52     1.43641   107.94670   169.07416
   63    62 S   CO1  _C12    53     1.43515   112.68106  -178.57949
   64    63 S   HC   _H8_    54     1.09765   108.21700    60.76173
   65    63 S   CT   _C13    55     1.53310   107.83300   179.28783
   66    65 S   HC   _H9_    56     1.09673   109.98144    54.41636
   67    65 S   CT   _C14    57     1.53239   110.98566   176.31943
   68    67 S   HC   _H10    58     1.09674   110.17209    74.10793
   69    65 S   OH5  _O39    73     1.42921   110.07438   -62.43191
   70    69 S   HO   _H20    74     0.97247   108.13731   -59.68200
   71    67 S   CT   _C15    59     1.53301   111.58362   -48.56270
   72    71 S   HC   _H11    60     1.09703   109.01356   -72.16408
   73    67 S   OH5  _O38    71     1.42965   109.56975  -170.11943
   74    73 S   HO   _H19    72     0.97237   108.12929    61.19852
   75    71 S   CT   _C16    61     1.53221   110.73880    49.05419
   76    75 S   HC   _H12    62     1.09809   110.96230    64.22380
   77    71 S   OH5  _O37    69     1.42584   109.66276   171.02789
   78    77 S   HO   _H18    70     0.97300   108.16958   -60.22045
   79    63 S   OS1  _O35    63     1.42832   111.51423   -60.49511
   80    75 S   CT   _C17    64     1.52904   111.77054  -174.92993
   81    80 S   HC   _H15    65     1.09496   111.03165    68.94188
   82    80 S   HC   _H16    66     1.09397   111.52349   -53.49195
   83    80 S   OH5  _O36    67     1.42536   109.00282  -172.43994
   84    83 S   HO   _H17    68     0.97231   107.00991  -179.03531
  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
  14   6   2   1   1  14   8   9  16   8   4   1   1   9   4  11
   4  12  11   5   7   4   3   3   1   6   2   1   1   8  13   6
  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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    58    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    51    58    59    40    62    43    44    45  
   38    39    41    58    40    43  
   36    37  
   37  
    0  
   39    41    42    46    47    48    50    51    52    58    40    43    44    45  
   41    42    46    51    40    43    44    45  
   62    63    43    41    50    51    52    58    59  
   42    46    47    48    49    50    51    52    58    59    62    53    56    43    44    45  
   46    47    48    50    51    52    58    43  
   44    45    46    51  
   45  
    0  
   47    48    49    50    51    52    58    53    56  
   48    49    50    51  
   49    50    51    52    58    53    54    55    60    56    57  
   50    51    53    56  
   51    52    58    59    62    53    54    55    60    61    56    57  
   52    58    59    62    63    53    54    55    60    56    57  
   58    59    62    53    56  
   54    55    60    61    56    57    58  
   55    60    61    56  
   60    61    56  
   57    58    60  
    0  
   59    62    63    64    65    79  
   62    63  
   61  
    0  
   63    64    65    66    67    75    79    69  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   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   3.1200   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    51   268.000  1.529
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   340.000  1.080
   48    50   317.000  1.510
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    56   320.000  1.410
   51    52   340.000  1.090
   51    58   250.000  1.527
   58    59   340.000  1.090
   58    40   320.000  1.380
   58    62   320.000  1.380
   62    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
   56    57   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    40    58    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    46    70.00000  112.02700
   38    41    51    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   41    38    39    37.50000  110.70000
   41    46    47    35.00000  117.00000
   41    46    48    70.00000  124.00000
   41    51    50    58.35000  112.70000
   41    51    52    37.50000  110.70000
   41    51    58    75.00000  109.43000
   46    41    42    35.00000  109.50000
   46    48    49    35.00000  120.00000
   46    48    50    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  112.02700
   48    50    53    70.00000  112.02700
   48    50    56    90.00000  110.39200
   50    48    49    35.00000  117.00000
   50    51    52    37.50000  110.70000
   50    51    58    75.00000  109.43000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    50.00000  109.50000
   50    56    57    55.00000  108.50000
   51    41    42    37.50000  110.70000
   51    41    46    70.00000  112.02700
   51    58    59    45.00000  112.01100
   51    58    40    90.00000  108.56700
   51    58    62    90.00000  108.56700
   58    51    52    45.00000  108.72000
   58    62    63    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    58    59    35.00000  109.50000
   62    58    59    35.00000  109.50000
   62    58    40    92.60000  111.55000
   62    63    64    60.00000  105.75400
   62    63    65    90.00000  109.70700
   62    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   53    50    51    58.35000  112.70000
   53    60    61    55.00000  108.50000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   56    50    51    50.00000  109.50000
   56    50    53    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    70.00000  109.69300
   45    43    44    80.00000  126.00000
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   0.01700  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    58   0.14700  1.0 1.0
   29    33    40    58  -1.16150 -1.0 2.0
   29    33    40    58   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    46   0.34400  1.0 1.0
   33    38    41    46   0.09450 -1.0 2.0
   33    38    41    46   0.11100  1.0 3.0
   33    38    41    51   0.56750  1.0 1.0
   33    38    41    51  -0.07550 -1.0 2.0
   33    38    41    51   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    58   0.37050  1.0 3.0
   38    33    40    58   0.06250  1.0 1.0
   38    33    40    58  -0.01100 -1.0 2.0
   38    33    40    58   0.28050  1.0 3.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.09850  1.0 1.0
   38    41    46    48   0.15250 -1.0 2.0
   38    41    46    48  -0.50650  1.0 3.0
   38    41    51    50   0.56750  1.0 1.0
   38    41    51    50  -0.07550 -1.0 2.0
   38    41    51    50   0.20000  1.0 3.0
   38    41    51    52   0.15000  1.0 3.0
   38    41   -51    58   3.97050  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   39    38    41    51   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   41    38    43    44   0.41150 -1.0 2.0
   41    38    43    45   0.41150 -1.0 2.0
   41    46    48    49   7.00000 -1.0 2.0
   41    46   -48    50   7.00000 -1.0 2.0
   41    51    58    59   0.15000  1.0 3.0
   41    51    58    40   0.62750  1.0 1.0
   41    51    58    40  -0.30950 -1.0 2.0
   41    51    58    40   0.27300  1.0 3.0
   41    51    58    62   0.62750  1.0 1.0
   41    51    58    62  -0.30950 -1.0 2.0
   41    51    58    62   0.27300  1.0 3.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    51    50   0.15000  1.0 3.0
   42    41    51    52   0.15000  1.0 3.0
   42    41    51    58   0.15000  1.0 3.0
   46    41   -51    50   0.34400  1.0 1.0
   46    41   -51    50   0.09450 -1.0 2.0
   46    41   -51    50   0.11100  1.0 3.0
   46    41    51    52   0.15000  1.0 3.0
   46    41    51    58   0.34400  1.0 1.0
   46    41    51    58   0.09450 -1.0 2.0
   46    41    51    58   0.11100  1.0 3.0
   46    48   -50    51   0.09850  1.0 1.0
   46    48   -50    51   0.15250 -1.0 2.0
   46    48   -50    51  -0.50650  1.0 3.0
   46    48    50    53   0.09850  1.0 1.0
   46    48    50    53   0.15250 -1.0 2.0
   46    48    50    53  -0.50650  1.0 3.0
   46    48    50    56   0.67800  1.0 1.0
   46    48    50    56   0.47050 -1.0 2.0
   46    48    50    56  -0.62500  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    50   -51    41   0.34400  1.0 1.0
   48    50   -51    41   0.09450 -1.0 2.0
   48    50   -51    41   0.11100  1.0 3.0
   48    50    51    52   0.15000  1.0 3.0
   48    50    51    58   0.34400  1.0 1.0
   48    50    51    58   0.09450 -1.0 2.0
   48    50    51    58   0.11100  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    60   1.05650  1.0 1.0
   48    50    53    60   0.15600 -1.0 2.0
   48    50    53    60   0.53150  1.0 3.0
   48    50    56    57  -0.07800  1.0 1.0
   48    50    56    57  -0.21500 -1.0 2.0
   48    50    56    57  -0.03150  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    50    56   0.00000  1.0 1.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    40   0.62750  1.0 1.0
   50    51    58    40  -0.30950 -1.0 2.0
   50    51    58    40   0.27300  1.0 3.0
   50    51    58    62   0.62750  1.0 1.0
   50    51    58    62  -0.30950 -1.0 2.0
   50    51    58    62   0.27300  1.0 3.0
   50    53    60    61  -0.11600  1.0 1.0
   50    53    60    61  -0.09450 -1.0 2.0
   50    53    60    61   0.21250  1.0 3.0
   51    41    46    47   0.00000  1.0 1.0
   51    41   -46    48   0.09850  1.0 1.0
   51    41   -46    48   0.15250 -1.0 2.0
   51    41   -46    48  -0.50650  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.86500  1.0 1.0
   51    50    53    60  -0.17500 -1.0 2.0
   51    50    53    60   0.20800  1.0 3.0
   51    50    56    57  -0.11600  1.0 1.0
   51    50    56    57  -0.09450 -1.0 2.0
   51    50    56    57   0.21250  1.0 3.0
   51    58   -40    33   0.06250  1.0 1.0
   51    58   -40    33  -0.01100 -1.0 2.0
   51    58   -40    33   0.28050  1.0 3.0
   51    58    62    63   0.06250  1.0 1.0
   51    58    62    63  -0.01100 -1.0 2.0
   51    58    62    63   0.28050  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    40   0.23400  1.0 3.0
   52    51    58    62   0.23400  1.0 3.0
   58    62    63    64   0.37050  1.0 3.0
   58    62    63    65   0.06250  1.0 1.0
   58    62    63    65  -0.01100 -1.0 2.0
   58    62    63    65   0.28050  1.0 3.0
   58    62    63    79  -0.12700  1.0 1.0
   58    62    63    79  -1.16200 -1.0 2.0
   58    62    63    79   0.58800  1.0 3.0
   59    58    40    33   0.37050  1.0 3.0
   59    58    62    63   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -3.35100  1.0 1.0
   40    33    38    43  -0.37050 -1.0 2.0
   40    33    38    43   0.22400  1.0 3.0
   40    58    62    63  -0.53350  1.0 1.0
   40    58    62    63  -0.78350 -1.0 2.0
   40    58    62    63   0.33750  1.0 3.0
   62    58    40    33  -0.81800  1.0 1.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.62750  1.0 1.0
   62    63    65    67  -0.30950 -1.0 2.0
   62    63    65    67   0.27300  1.0 3.0
   62    63    65    69   1.51850  1.0 1.0
   62    63    79    75  -0.70400  1.0 1.0
   62    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   53    50    51    41   0.56750  1.0 1.0
   53    50    51    41  -0.07550 -1.0 2.0
   53    50    51    41   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    58   3.97050  1.0 1.0
   53    50    56    57  -0.11600  1.0 1.0
   53    50    56    57  -0.09450 -1.0 2.0
   53    50    56    57   0.21250  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   55    53    60    61   0.19450  1.0 3.0
   56    50    51    41   0.86500  1.0 1.0
   56    50    51    41  -0.17500 -1.0 2.0
   56    50    51    41   0.20800  1.0 3.0
   56    50    51    52   0.23400  1.0 3.0
   56    50    51    58   0.86500  1.0 1.0
   56    50    51    58  -0.17500 -1.0 2.0
   56    50    51    58   0.20800  1.0 3.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    60   3.75450  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    46  -0.98800  1.0 1.0
   43    38    41    46   0.48800 -1.0 2.0
   43    38    41    46   0.76800  1.0 3.0
   43    38    41    51  -1.63150  1.0 1.0
   43    38    41    51  -0.43550 -1.0 2.0
   43    38    41    51   0.24500  1.0 3.0
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    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
