* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    162    250     471
    1     0 S   NP   _N1_     1    28.28132    94.20134   -22.60129
    2     1 S   H    _HN1     2     1.02782    97.90144   -88.09928
    3     1 S   H    _H1_     3     1.02952    85.69200    19.85112
    4     1 S   H    _H2_     4     1.02831    28.59523   158.75695
    5     1 S   CT   _CA1     5     1.50111   137.78139   135.80579
    6     5 S   HC   _HA1     6     1.09574   105.22290    70.76997
    7     5 S   CO3  _C1_     7     1.53775   112.39414   -49.48147
    8     7 S   O2Z  _O11     8     1.26365   115.00596   -44.15808
    9     7 S   O2Z  _O12     9     1.26232   114.93228   134.99231
   10     5 S   CT   _CB1    10     1.53086   107.43318  -171.27798
   11    10 S   HC   HB11    11     1.09830   109.35813   -50.29458
   12    10 S   HC   HB12    12     1.09815   110.43962    66.28435
   13    10 S   CT   _CG1    13     1.53006   112.63505  -171.31515
   14    13 S   HC   HG11    14     1.09590   110.58286   -64.80557
   15    13 S   HC   HG12    15     1.09666   109.85137    54.43501
   16    13 S   C    _CD1    16     1.51806   112.24582   174.85170
   17    16 S   O    _OE1    17     1.22735   123.28458     4.06708
   18    16 S   N    _N2_    18     1.38633   111.66562  -175.95528
   19    18 S   H    _HN2    19     1.01612   119.01853     1.61616
   20    18 S   CT1  _CA2    20     1.46213   123.39005   178.04525
   21    20 S   HC   _HA2    21     1.09735   109.33355     1.52624
   22    20 S   C    _C2_    22     1.53588   109.16928  -114.04005
   23    22 S   O    _O2_    23     1.23076   122.14109  -152.78761
   24    20 S   CT   _CB2    32     1.53408   111.27551   123.49283
   25    24 S   HC   HB21    33     1.09333   109.36822    56.34172
   26    24 S   HC   HB22    34     1.09485   109.97460   174.86733
   27    22 S   N    _N3_    24     1.38278   113.87989    34.79526
   28    27 S   H    _HN3    25     1.01584   119.54166    -3.81007
   29    24 S   S    _SG2    35     1.83133   111.12472   -66.26880
   30    27 S   CT   _CA3    26     1.45289   123.21704   177.09889
   31    30 S   HC   HA31    27     1.09550   107.53254   -63.86428
   32    30 S   HC   HA32    28     1.09556   107.96454    52.57770
   33    29 S   CT   _C16    36     1.87625   102.69420   159.19898
   34    30 S   CO3  _C3_    29     1.52955   114.05927   174.51985
   35    34 S   O2Z  _O31    30     1.26384   116.03985    -1.58708
   36    34 S   O2Z  _O32    31     1.26429   114.42991   178.46800
   37    33 S   CT   _C15    37     1.53310   109.58788   -70.10923
   38    37 S   HC   _H8_    38     1.09281   112.44129    53.39144
   39    37 S   HC   _H9_    39     1.09592   111.82236   -65.84304
   40    33 S   CT   _C17    78     1.55588   110.04197    50.79880
   41    40 S   HC   _H3_    79     1.09369   110.63077   -53.88941
   42    33 S   OS   _O39    84     1.44525   108.65733   166.67945
   43    37 S   CO4  _C14    40     1.52352   111.09330   173.65155
   44    43 S   O    _O35    41     1.23475   119.03826   126.04520
   45    40 S   OH   _O38    80     1.43619   109.69928    63.35849
   46    45 S   HO   _H11    81     0.97293   107.13228   -47.43552
   47    42 S   CT   _C20    85     1.41910   117.87944    73.80749
   48    47 S   HC   _H12    86     1.09384   107.82346  -167.84083
   49    47 S   HC   _H13    87     1.09295   110.65103    74.90842
   50    47 S   HC   _H14    88     1.09282   112.24485   -48.88257
   51    43 S   CT   _C13    42     1.56289   116.47614   -56.66743
   52    51 S   OM   _O40    43     1.32969   108.11116   173.05677
   53    51 S   CMA  _C12    44     1.57933   112.80820   -67.74265
   54    53 S   OM   _O34    45     1.26940   112.58585   -30.14620
   55    53 S   CM   _C10    46     1.36430   117.94294   149.95337
   56    55 S   CM   _C9_    47     1.45190   123.22344     3.12167
   57    55 S   CO4  _C11    57     1.51171   120.13573  -176.96668
   58    57 S   O    _O33    58     1.22509   122.60412    29.75723
   59    56 S   CM   _C8_    48     1.34039   122.06291   165.72269
   60    59 S   HC   _H7_    49     1.08594   121.67403   179.53354
   61    56 S   CO4  _C19    75     1.49384   120.11197   -14.95365
   62    61 S   O    _O36    76     1.23100   121.66480   172.62637
   63    59 S   CA   _C7_    50     1.46681   120.94470    -2.66800
   64    51 S   CT   _C18    77     1.57091   106.01734    55.39683
   65    63 S   CA   _C21    51     1.40342   118.51809  -171.97344
   66    65 S   HA   _H15    52     1.08683   118.49797    -0.47970
   67    64 S   OH   _O37    82     1.43444   111.19672    67.86789
   68    67 S   HO   _H10    83     0.97322   106.91049  -172.89091
   69    65 S   CA   _C22    53     1.39422   120.75901   179.90935
   70    69 S   CA   _C23    54     1.40578   118.64367    -1.32943
   71    69 S   OS   _O43    70     1.37140   124.75629   178.51273
   72    70 S   CA   _C5_    55     1.41338   122.20132     0.63087
   73    70 S   CO4  _C24    63     1.47299   117.94012   179.05498
   74    73 S   O    _O41    64     1.21843   123.77624  -104.01054
   75    71 S   CT   _C26    71     1.42229   117.50917     0.17471
   76    75 S   HC   _H19    72     1.09428   107.72832  -179.90309
   77    75 S   HC   _H20    73     1.09492   111.12724    62.39568
   78    75 S   HC   _H21    74     1.09493   111.14526   -62.19129
   79    63 S   CA   _C6_    56     1.40783   121.31808     8.21984
   80    72 S   CT   _C4_    59     1.50831   120.37916  -178.66940
   81    80 S   HC   _H4_    60     1.09426   110.18958  -100.98713
   82    80 S   HC   _H5_    61     1.09394   112.66003    19.75812
   83    80 S   HC   _H6_    62     1.09497   110.77262   137.07801
   84    73 S   OS   _O42    65     1.35605   107.64516    77.29588
   85    84 S   CT   _C25    66     1.42982   114.82126   179.44893
   86    85 S   HC   _H16    67     1.09327   108.12968   179.50584
   87    85 S   HC   _H17    68     1.09431   110.31604    60.78592
   88    85 S   HC   _H18    69     1.09429   110.27231   -61.78390
  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  11   5   4   3
  18   2   1   1  13   6   5  15   7   7   9   4   5   1   3   2
   1   1  11   6  10   4  11  11   9   3  10   4   5   2   8   2
   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4   3
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    64    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    51    61    64    40    41    45    46    67    42    47    48    49    50  
   35    36  
   36  
    0  
   38    39    43    44    51    52    53    64    40    41    45    42    47  
   39    43    44    51    40    42  
   43    44    51    40    42  
   41    45    46    67    68    42    47    43    51    52    53    56    61    62    64  
   45    46    67    42    51    61    64  
   47    48    49    50    43    45    64  
   44    51    52    53    54    55    61    64    67  
   51    52    53    64  
   46    67    51    61    64  
   64  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    61    62    64    67    68  
   53    54    55    61    64    67  
   54    55    56    59    79    57    58    61    64    67  
   55    56    57    64  
   56    59    60    63    72    79    57    58    61    62    64  
   59    60    63    65    79    57    58    61    62    64    67  
   58    80    61    59    63    65    70    72    79  
   63    72    79  
   60    63    65    66    69    72    79    61    62    64  
   63    65    79    61  
   62    64    67    68    63  
   64    67  
   65    66    69    70    72    79    80    71  
   67    68  
   66    69    70    72    79    73    71    75  
   69    70    79    71  
   68  
    0  
   70    72    79    80    73    74    84    71    75    76    77    78  
   72    79    80    81    82    83    73    74    84    85    71    75  
   75    76    77    78    72    73  
   79    80    81    82    83    73    74    84  
   74    84    85    86    87    88    79    80  
   84    85  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    51   317.000  1.522
   51    52   570.000  1.307
   51    53   270.000  1.512
   51    64   268.000  1.529
   53    54   745.000  1.250
   53    55   465.000  1.376
   55    56   380.000  1.444
   55    57   320.000  1.462
   56    59   549.000  1.340
   56    61   320.000  1.462
   59    60   340.000  1.080
   59    63   320.000  1.460
   63    65   469.000  1.400
   63    79   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    72   469.000  1.400
   70    73   310.000  1.470
   72    79   469.000  1.400
   72    80   317.000  1.510
   79    57   310.000  1.470
   57    58   570.000  1.229
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   214.000  1.327
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    40   268.000  1.529
   64    67   320.000  1.410
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   67    68   553.000  0.945
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   33    42    47    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    51    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    51    52    90.00000  108.74100
   43    51    53    70.00000  109.06800
   43    51    64    63.00000  111.10000
   51    43    44    80.00000  120.40000
   51    53    54    85.00000  112.85300
   51    53    55    65.00000  122.18000
   51    64    61    63.00000  111.10000
   51    64    40    58.35000  112.70000
   51    64    67    50.00000  109.50000
   53    51    52    85.00000  110.90400
   53    55    56    70.00000  117.34000
   53    55    57    60.00000  125.92000
   55    53    54    65.00000  137.10300
   55    56    59    70.00000  123.01800
   55    56    61    65.00000  118.96000
   55    57    79    65.00000  117.02400
   55    57    58    80.00000  123.72100
   56    59    60    35.00000  120.00000
   56    59    63    60.00000  123.20500
   56    61    62    80.00000  123.72100
   56    61    64    65.00000  118.62400
   59    63    65    60.00000  120.93500
   59    63    79    60.00000  120.93500
   63    59    60    40.00000  117.26300
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    79    72    63.00000  120.00000
   63    79    57    60.00000  119.52600
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    73    60.00000  119.52600
   69    71    75    75.00000  111.00000
   70    72    79    63.00000  120.00000
   70    72    80    70.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    84    81.00000  111.40000
   72    79    57    60.00000  119.52600
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   79    63    65    63.00000  120.00000
   79    57    58    75.00000  123.78400
   57    55    56    65.00000  118.96000
   80    72    79    70.00000  120.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    70    72    60.00000  119.52600
   73    84    85    83.00000  116.90000
   84    73    74    83.00000  123.40000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   71    69    70    70.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    56    59    65.00000  118.96000
   61    64    40    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    51    52    50.00000  109.50000
   64    51    53    70.00000  112.02700
   64    61    62    80.00000  120.40000
   64    40    41    37.50000  110.70000
   64    40    45    50.00000  109.50000
   64    67    68    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   67    64    40    50.00000  109.50000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    64   0.44750  1.0 1.0
   29    33    40    64  -0.17800 -1.0 2.0
   29    33    40    64   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    51   0.60050  1.0 1.0
   33    37    43    51   0.05600 -1.0 2.0
   33    37    43    51   0.26150  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    40    64   0.56750  1.0 1.0
   37    33    40    64  -0.07550 -1.0 2.0
   37    33    40    64   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    33    42    47   0.06250  1.0 1.0
   37    33    42    47  -0.01100 -1.0 2.0
   37    33    42    47   0.28050  1.0 3.0
   37    43    51    52   0.55300  1.0 1.0
   37    43    51    52   1.25850 -1.0 2.0
   37    43    51    52  -0.23600  1.0 3.0
   37    43    51    53   0.65300  1.0 1.0
   37    43    51    53  -0.03850 -1.0 2.0
   37    43    51    53   0.33900  1.0 3.0
   37    43   -51    64   0.60050  1.0 1.0
   37    43   -51    64   0.05600 -1.0 2.0
   37    43   -51    64   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    51   0.00000  1.0 1.0
   43    51    53    54   0.09700  1.0 1.0
   43    51    53    54   0.15600 -1.0 2.0
   43    51    53    54  -0.50800  1.0 3.0
   43    51    53    55  -0.51250  1.0 1.0
   43    51    53    55  -0.88800 -1.0 2.0
   43    51    53    55   0.08850  1.0 3.0
   43    51    64    61   0.11950  1.0 1.0
   43    51    64    61   0.20300 -1.0 2.0
   43    51    64    61  -0.70800  1.0 3.0
   43    51    64    40  -0.95700  1.0 1.0
   43    51    64    40  -0.18200 -1.0 2.0
   43    51    64    40   0.29450  1.0 3.0
   43    51    64    67  -0.09450  1.0 1.0
   43    51    64    67  -1.12950 -1.0 2.0
   43    51    64    67   0.54000  1.0 3.0
   44    43    51    52   0.30150 -1.0 2.0
   44    43    51    53   0.30150 -1.0 2.0
   44    43    51    64   0.30150 -1.0 2.0
   51    53    55    56   7.00000 -1.0 2.0
   51    53    55    57   7.00000 -1.0 2.0
   51    64   -40    33   0.56750  1.0 1.0
   51    64   -40    33  -0.07550 -1.0 2.0
   51    64   -40    33   0.20000  1.0 3.0
   51    64    40    41   0.15000  1.0 3.0
   51    64    40    45   0.86500  1.0 1.0
   51    64    40    45  -0.17500 -1.0 2.0
   51    64    40    45   0.20800  1.0 3.0
   51    64    67    68  -0.11600  1.0 1.0
   51    64    67    68  -0.09450 -1.0 2.0
   51    64    67    68   0.21250  1.0 3.0
   52    51    53    54   0.09700  1.0 1.0
   52    51    53    54   0.15600 -1.0 2.0
   52    51    53    54  -0.50800  1.0 3.0
   52    51    53    55   0.39000  1.0 1.0
   52    51    53    55  -0.05800 -1.0 2.0
   52    51    53    55  -0.55150  1.0 3.0
   52    51    64    61  -0.09450  1.0 1.0
   52    51    64    61  -1.12950 -1.0 2.0
   52    51    64    61   0.54000  1.0 3.0
   52    51    64    40   0.62750  1.0 1.0
   52    51    64    40  -0.30950 -1.0 2.0
   52    51    64    40   0.27300  1.0 3.0
   52    51    64    67   3.69350  1.0 1.0
   52    51    64    67  -1.82950 -1.0 2.0
   53    51    64    61  -0.98800  1.0 1.0
   53    51    64    61   0.48800 -1.0 2.0
   53    51    64    61   0.76800  1.0 3.0
   53    51    64    40   0.34400  1.0 1.0
   53    51    64    40   0.09450 -1.0 2.0
   53    51    64    40   0.11100  1.0 3.0
   53    51    64    67   1.05650  1.0 1.0
   53    51    64    67   0.15600 -1.0 2.0
   53    51    64    67   0.53150  1.0 3.0
   53    55    56    59   0.28850  1.0 1.0
   53    55    56    59   2.61350 -1.0 2.0
   53    55    56    59   0.78400  1.0 3.0
   53    55   -56    61  -0.18600  1.0 3.0
   53    55    57    79  -1.65800  1.0 1.0
   53    55    57    79   0.77650 -1.0 2.0
   53    55    57    58   1.00000 -1.0 2.0
   54    53    55    56   7.00000 -1.0 2.0
   54    53    55    57   7.00000 -1.0 2.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62   1.00000 -1.0 2.0
   55    56    61    64  -0.33500  1.0 1.0
   55    56    61    64   1.06600 -1.0 2.0
   55    56    61    64  -0.14000  1.0 3.0
   56    55    57    79  -1.65800  1.0 1.0
   56    55    57    79   0.77650 -1.0 2.0
   56    55    57    58   1.00000 -1.0 2.0
   56    59    63    65   0.15800  1.0 1.0
   56    59    63    65   1.85350 -1.0 2.0
   56    59    63    65  -0.48700  1.0 3.0
   56    59   -63    79   0.15800  1.0 1.0
   56    59   -63    79   1.85350 -1.0 2.0
   56    59   -63    79  -0.48700  1.0 3.0
   56    61   -64    51   0.65300  1.0 1.0
   56    61   -64    51  -0.03850 -1.0 2.0
   56    61   -64    51   0.33900  1.0 3.0
   56    61    64    40   0.65300  1.0 1.0
   56    61    64    40  -0.03850 -1.0 2.0
   56    61    64    40   0.33900  1.0 3.0
   56    61    64    67   0.65300  1.0 1.0
   56    61    64    67  -0.03850 -1.0 2.0
   56    61    64    67   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    64  -0.33500  1.0 1.0
   59    56    61    64   1.06600 -1.0 2.0
   59    56    61    64  -0.14000  1.0 3.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63    65    69   3.62500 -1.0 2.0
   59    63    79    72   3.62500 -1.0 2.0
   59    63    79    57   3.62500 -1.0 2.0
   60    59    63    65   0.56550  1.0 3.0
   60    59    63    79   0.56550  1.0 3.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    79   -57    55  -0.11500  1.0 1.0
   63    79   -57    55   1.10450 -1.0 2.0
   63    79   -57    55  -0.48050  1.0 3.0
   63    79    57    58   1.05000 -1.0 2.0
   65    63    79    72   3.62500 -1.0 2.0
   65    63    79    57   3.62500 -1.0 2.0
   65    69   -70    72   3.62500 -1.0 2.0
   65    69    70    73   3.62500 -1.0 2.0
   65    69    71    75   1.63200 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    72    79   3.62500 -1.0 2.0
   69    70    72    80   3.62500 -1.0 2.0
   69    70    73    74   1.05000 -1.0 2.0
   69    70    73    84   0.98750 -1.0 2.0
   69    71    75    76   0.08050  1.0 3.0
   69    71    75    77   0.08050  1.0 3.0
   69    71    75    78   0.08050  1.0 3.0
   70    69    71    75   1.63200 -1.0 2.0
   70    72   -79    63   3.62500 -1.0 2.0
   70    72    79    57   3.62500 -1.0 2.0
   70    72    80    81   0.00000  1.0 1.0
   70    72    80    82   0.00000  1.0 1.0
   70    72    80    83   0.00000  1.0 1.0
   70    73    84    85   0.59950  1.0 1.0
   70    73    84    85   3.24850 -1.0 2.0
   72    70    73    74   1.05000 -1.0 2.0
   72    70    73    84   0.98750 -1.0 2.0
   72    79    57    55  -0.11500  1.0 1.0
   72    79    57    55   1.10450 -1.0 2.0
   72    79    57    55  -0.48050  1.0 3.0
   72    79    57    58   1.05000 -1.0 2.0
   79    63    65    66   3.62500 -1.0 2.0
   79    63   -65    69   3.62500 -1.0 2.0
   79    72    80    81   0.00000  1.0 1.0
   79    72    80    82   0.00000  1.0 1.0
   79    72    80    83   0.00000  1.0 1.0
   57    55   -56    59  -0.18600  1.0 3.0
   57    55    56    61   1.08500 -1.0 2.0
   80    72    79    63   3.62500 -1.0 2.0
   80    72    79    57   3.62500 -1.0 2.0
   73    70    72    79   3.62500 -1.0 2.0
   73    70    72    80   3.62500 -1.0 2.0
   73    84    85    86   0.08050  1.0 3.0
   73    84    85    87   0.08050  1.0 3.0
   73    84    85    88   0.08050  1.0 3.0
   74    73    84    85   3.00000 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    64    40    33  -0.95700  1.0 1.0
   61    64    40    33  -0.18200 -1.0 2.0
   61    64    40    33   0.29450  1.0 3.0
   61    64    40    41  -0.11250  1.0 3.0
   61    64    40    45  -0.09450  1.0 1.0
   61    64    40    45  -1.12950 -1.0 2.0
   61    64    40    45   0.54000  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    51   0.30150 -1.0 2.0
   62    61    64    40   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    51    53    54   0.09700  1.0 1.0
   64    51    53    54   0.15600 -1.0 2.0
   64    51    53    54  -0.50800  1.0 3.0
   64    51   -53    55   0.09850  1.0 1.0
   64    51   -53    55   0.15250 -1.0 2.0
   64    51   -53    55  -0.50650  1.0 3.0
   64    40    45    46  -0.11600  1.0 1.0
   64    40    45    46  -0.09450 -1.0 2.0
   64    40    45    46   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    43  -0.95700  1.0 1.0
   40    33   -37    43  -0.18200 -1.0 2.0
   40    33   -37    43   0.29450  1.0 3.0
   40    33    42    47   0.06250  1.0 1.0
   40    33    42    47  -0.01100 -1.0 2.0
   40    33    42    47   0.28050  1.0 3.0
   40    64    67    68  -0.11600  1.0 1.0
   40    64    67    68  -0.09450 -1.0 2.0
   40    64    67    68   0.21250  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   67    64    40    33   0.86500  1.0 1.0
   67    64    40    33  -0.17500 -1.0 2.0
   67    64    40    33   0.20800  1.0 3.0
   67    64    40    41   0.23400  1.0 3.0
   67    64    40    45   3.75450  1.0 1.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    64   0.62750  1.0 1.0
   42    33    40    64  -0.30950 -1.0 2.0
   42    33    40    64   0.27300  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   3.69350  1.0 1.0
   42    33    40    45  -1.82950 -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
   35    30    34    36  10.50000 -1.0 2.0
   37    51    43    44  10.50000 -1.0 2.0
   51    54    53    55   1.10000 -1.0 2.0
   56    57    55    53   1.10000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    79    63    59   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   72    73    70    69   4.00000 -1.0 2.0
   79    80    72    70   4.00000 -1.0 2.0
   72    57    79    63   4.00000 -1.0 2.0
   55    79    57    58  10.50000 -1.0 2.0
   70    84    73    74  10.50000 -1.0 2.0
   56    64    61    62  10.50000 -1.0 2.0
END
