* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    147    223     434
    1     0 S   NP   _N1_     1    43.41729   100.07363    -7.14759
    2     1 S   H    _HN1     2     1.02112    53.28023    62.88548
    3     1 S   H    _H1_     3     1.02053    99.34790   169.27742
    4     1 S   H    _H2_     4     1.02188    62.36482   -84.45185
    5     1 S   CT   _CA1     5     1.49736   150.01714    -1.74731
    6     5 S   HC   _HA1     6     1.09756   104.85571  -161.89099
    7     5 S   CO3  _C1_     7     1.53809   114.20918    82.74648
    8     7 S   O2Z  _O11     8     1.26379   115.86462  -155.19381
    9     7 S   O2Z  _O12     9     1.26379   115.14835    23.48738
   10     5 S   CT   _CB1    10     1.53338   107.53831   -47.02206
   11    10 S   HC   HB11    11     1.09767   109.18005  -171.03135
   12    10 S   HC   HB12    12     1.09882   109.24973   -56.09524
   13    10 S   CT   _CG1    13     1.53191   114.42208    66.66581
   14    13 S   HC   HG11    14     1.09574   110.47786   -56.92737
   15    13 S   HC   HG12    15     1.09604   110.44671    62.43740
   16    13 S   C    _CD1    16     1.52052   112.29404  -177.57279
   17    16 S   O    _OE1    17     1.22762   123.20898    -0.21306
   18    16 S   N    _N2_    18     1.39011   111.62007  -180.00000
   19    18 S   H    _HN2    19     1.01776   118.84722    -0.42978
   20    18 S   CT1  _CA2    20     1.44101   123.39544   179.75853
   21    20 S   HC   _HA2    21     1.09677   105.58030   -30.01066
   22    20 S   C    _C2_    22     1.52835   108.86675  -145.24892
   23    22 S   O    _O2_    23     1.22911   122.95059    -6.06456
   24    20 S   CT   _CB2    32     1.53016   112.39382    88.32501
   25    24 S   HC   HB21    33     1.09496   110.58065  -175.98697
   26    24 S   HC   HB22    34     1.09582   109.89125   -57.45143
   27    22 S   N    _N3_    24     1.38691   112.21194   175.10711
   28    27 S   H    _HN3    25     1.01632   119.50536    -4.00448
   29    24 S   S    _SG2    35     1.80656   113.79532    63.03021
   30    27 S   CT   _CA3    26     1.44442   122.63141   178.88829
   31    30 S   HC   HA31    27     1.09406   110.33970   -59.88491
   32    30 S   HC   HA32    28     1.09366   110.40143    59.83757
   33    29 S   CT   _C9_    36     1.82424    98.06792  -177.30383
   34    33 S   HC   _H4_    37     1.09840   106.06919    45.22930
   35    30 S   CO3  _C3_    29     1.51986   105.92552   179.96044
   36    35 S   O2Z  _O31    30     1.26324   115.13347  -120.85217
   37    35 S   O2Z  _O32    31     1.26319   115.15708    59.82840
   38    33 S   CM   _C4_    38     1.50658   110.37682   159.99283
   39    38 S   HC   _H5_    39     1.08722   119.90159   -31.25384
   40    38 S   CM   _C5_    40     1.34171   121.29597   151.69248
   41    40 S   HC   _H6_    41     1.08618   119.49542   178.44820
   42    40 S   CM   _C6_    42     1.45160   121.39044    -0.19782
   43    42 S   CM   _C7_    43     1.34481   120.04415   -14.21789
   44    43 S   HC   _H7_    44     1.08754   121.24075  -177.59401
   45    42 S   S    _S1_    49     1.73530   119.40025   167.99104
   46    33 S   CT   _C8_    45     1.55027   112.46258   -72.97644
   47    46 S   HC   _H3_    46     1.09740   109.11617    78.50125
   48    45 S   CT   _C10    50     1.81666    98.79823   -89.95163
   49    48 S   HC   _H9_    51     1.08733   107.84438    60.00982
   50    48 S   HC   _H10    52     1.08755   107.86626   -57.19583
   51    46 S   OH   _O33    47     1.42671   112.30516   -40.68937
   52    51 S   HO   _H8_    48     0.96881   106.47228   176.59981
   53    48 S   CT1  _C11    53     1.54652   112.43212  -178.22646
   54    53 S   HC   _H11    54     1.08448   107.98086    54.19053
   55    53 S   C    _C12    55     1.53997   111.29522   173.60227
   56    55 S   O    _O34    56     1.23045   119.06879   -46.32348
   57    53 S   N    _N5_    65     1.46273   109.47347   -61.28423
   58    57 S   H    _H15    66     1.04690   114.19555   -74.55335
   59    55 S   N    _N4_    57     1.34342   118.95001   133.86652
   60    59 S   H    _H12    58     1.03492   120.06118     5.01325
   61    57 S   C    _C15    67     1.34107   126.87342   105.30358
   62    61 S   O    _O37    68     1.22981   123.84622     7.23525
   63    59 S   CT   _C13    59     1.46098   124.52762  -172.12615
   64    63 S   HC   _H13    60     1.12298   109.15732    14.27911
   65    63 S   HC   _H14    61     1.12301   109.23063   127.78828
   66    61 S   CT   _C16    69     1.52596   114.77312  -171.30195
   67    66 S   HC   _H16    70     1.10479   107.67751    39.64269
   68    66 S   HC   _H17    71     1.10493   107.28184   -74.83110
   69    63 S   CO3  _C14    62     1.53166   113.47286  -109.01667
   70    69 S   O2Z  _O36    63     1.25025   116.29664   179.33914
   71    69 S   O2Z  _O35    64     1.24973   119.17393     1.13142
   72    66 S   CT   _C17    72     1.53934   114.68728   162.49582
   73    72 S   HC   _H18    73     1.08929   109.06313    57.61717
   74    72 S   HC   _H19    74     1.08772   109.43100   -59.04437
   75    72 S   CT   _C18    75     1.54281   112.63786   179.10606
   76    75 S   HC   _H20    76     1.06017   110.30459   -46.88455
   77    75 S   CO3  _C19    77     1.53908   111.98219    71.55928
   78    77 S   O2Z  _O39    78     1.24883   117.20318   -84.26230
   79    77 S   O2Z  _O38    79     1.25095   118.44911    96.22571
   80    75 S   NP   _N6_    80     1.47350   111.03918  -165.89722
   81    80 S   H    _H21    81     1.02048   110.26034  -122.13429
   82    80 S   H    _H22    82     1.02128   110.21332   117.92966
   83    80 S   H    _H23    83     1.02060   110.27343    -2.05862
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1   9   4   7   3  10   7   4   8   3   2  10
   5   4   1   1  11   6  10   4   8   3   7   4   8   4   5   4
   3   9   5   4   2   1   1  11   5   4   8   7   6   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    51    52  
   38    39    40    43    46    47    51  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    51    45  
   40    41    42    46  
   41    42    43    44    46    45    48  
   42    43    45  
   43    44    46    47    51    45    48    49    50    53  
   44    46    47    51    52    45    48  
   46    47    51    45  
   48    49    50    53    54    55    57    46  
   47    51    52  
   51    52  
   49    50    53    54    55    56    59    57    58    61  
   50    53    54    55    57  
   53    54    55    57  
   52  
    0  
   54    55    56    59    60    63    57    58    61    62    66  
   55    56    59    57    58    61  
   56    59    60    63    64    65    69    57    58    61  
   59    60    63    57  
   58    61    62    66    67    68    72    59  
   61    62    66  
   60    63    64    65    69    70    71  
   63    64    65    69  
   62    66    67    68    72    73    74    75  
   66    67    68    72  
   64    65    69    70    71  
   65    69    70    71  
   69    70    71  
   67    68    72    73    74    75    76    77    80  
   68    72    73    74    75  
   72    73    74    75  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   78   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   380.000  1.444
   42    43   549.000  1.340
   42    45   240.000  1.763
   43    44   340.000  1.080
   43    46   317.000  1.510
   46    47   340.000  1.090
   46    51   320.000  1.410
   51    52   553.000  0.945
   45    48   222.000  1.810
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    57   337.000  1.449
   55    56   570.000  1.229
   55    59   490.000  1.335
   59    60   434.000  1.010
   59    63   337.000  1.449
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.522
   75    80   367.000  1.471
   77    78   656.000  1.250
   77    79   656.000  1.250
   80    81   434.000  1.010
   80    82   434.000  1.010
   80    83   434.000  1.010
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  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    70.00000  112.02700
   33    46    47    37.50000  110.70000
   33    46    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  123.01800
   40    38    39    35.00000  120.00000
   40    42    43    70.00000  123.01800
   40    42    45    65.00000  122.11800
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    46    70.00000  124.00000
   42    45    48    85.00000  102.41200
   43    46    47    35.00000  109.50000
   43    46    51    90.00000  110.39200
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    43    44    35.00000  117.00000
   46    51    52    55.00000  108.50000
   51    46    47    35.00000  109.50000
   45    42    43    65.00000  122.11800
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    53    75.00000  108.68000
   48    53    54    37.50000  110.70000
   48    53    55    63.00000  111.10000
   48    53    57    80.00000  109.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    55    56    80.00000  120.40000
   53    55    59    70.00000  116.60000
   53    57    58    38.00000  118.40000
   53    57    61    50.00000  121.90000
   55    53    54    35.00000  109.50000
   55    59    60    35.00000  119.80000
   55    59    63    50.00000  121.90000
   59    55    56    80.00000  122.90000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    69    63.00000  110.10000
   63    59    60    38.00000  118.40000
   63    69    70    70.00000  117.00000
   63    69    71    70.00000  117.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   71    69    70    80.00000  126.00000
   57    53    54    35.00000  109.50000
   57    53    55    63.00000  110.10000
   57    61    62    80.00000  122.90000
   57    61    66    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    72    63.00000  111.10000
   66    61    62    80.00000  120.40000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    70.00000  109.69300
   72    75    80    80.00000  111.20000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    70.00000  117.00000
   75    77    79    70.00000  117.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   77    75    76    35.00000  109.50000
   79    77    78    80.00000  126.00000
   80    75    76    35.00000  109.50000
   80    75    77    80.00000  109.26000
   82    80    81    35.00000  109.50000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    51   0.56750  1.0 1.0
   29    33    46    51  -0.07550 -1.0 2.0
   29    33    46    51   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    51    52  -0.11600  1.0 1.0
   33    46    51    52  -0.09450 -1.0 2.0
   33    46    51    52   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    51   0.23400  1.0 3.0
   38    33    46    43   0.31000  1.0 1.0
   38    33    46    43   0.14700 -1.0 2.0
   38    33    46    43   0.07550  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    51   1.05650  1.0 1.0
   38    33    46    51   0.15600 -1.0 2.0
   38    33    46    51   0.53150  1.0 3.0
   38    40   -42    43   0.28850  1.0 1.0
   38    40   -42    43   2.61350 -1.0 2.0
   38    40   -42    43   0.78400  1.0 3.0
   38    40    42    45  -0.18600  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    46   7.00000 -1.0 2.0
   40    42    45    48   1.00000 -1.0 2.0
   41    40    42    43  -0.18600  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   42    43   -46    33   0.09850  1.0 1.0
   42    43   -46    33   0.15250 -1.0 2.0
   42    43   -46    33  -0.50650  1.0 3.0
   42    43    46    47   0.00000  1.0 1.0
   42    43    46    51   0.67800  1.0 1.0
   42    43    46    51   0.47050 -1.0 2.0
   42    43    46    51  -0.62500  1.0 3.0
   42    45    48    49   0.24000  1.0 3.0
   42    45    48    50   0.24000  1.0 3.0
   42    45    48    53   0.00000  1.0 1.0
   43    42    45    48   1.00000 -1.0 2.0
   43    46    51    52  -0.07800  1.0 1.0
   43    46    51    52  -0.21500 -1.0 2.0
   43    46    51    52  -0.03150  1.0 3.0
   44    43    46    33   0.00000  1.0 1.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    51   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    46   7.00000 -1.0 2.0
   45    48    53    54   0.15000  1.0 3.0
   45    48    53    55  -2.17200  1.0 1.0
   45    48    53    55  -0.85700 -1.0 2.0
   45    48    53    57   0.71400  1.0 1.0
   45    48    53    57   0.04300 -1.0 2.0
   45    48    53    57   0.01450  1.0 3.0
   48    53    55    56   0.00000  1.0 1.0
   48    53    55    59   0.93250  1.0 1.0
   48    53    55    59   0.04450 -1.0 2.0
   48    53    55    59   0.17550  1.0 3.0
   48    53    57    58   0.00000  1.0 1.0
   48    53    57    61   0.25950  1.0 1.0
   48    53    57    61   0.43850 -1.0 2.0
   48    53    57    61   2.61650  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55  -0.03800  1.0 3.0
   49    48    53    57   0.23200  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55  -0.03800  1.0 3.0
   50    48    53    57   0.23200  1.0 3.0
   53    55    59    60   2.45000 -1.0 2.0
   53    55    59    63   1.15000  1.0 1.0
   53    55    59    63   3.04450 -1.0 2.0
   53    57    61    62   3.04450 -1.0 2.0
   53    57    61    66   1.15000  1.0 1.0
   53    57    61    66   3.04450 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    59   0.00000  1.0 1.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   55    53    57    58   0.00000  1.0 1.0
   55    53    57    61  -0.29800  1.0 1.0
   55    53    57    61   0.13950 -1.0 2.0
   55    53    57    61  -2.45650  1.0 3.0
   55    59    63    64   0.00000  1.0 1.0
   55    59    63    65   0.00000  1.0 1.0
   55    59    63    69  -0.29800  1.0 1.0
   55    59    63    69   0.13950 -1.0 2.0
   55    59    63    69  -2.45650  1.0 3.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    63   3.04450 -1.0 2.0
   59    63    69    70   0.00000  1.0 1.0
   59    63    69    71   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.00000  1.0 1.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   65    63    69    70   0.00000  1.0 1.0
   65    63    69    71   0.00000  1.0 1.0
   57    53    55    56   0.00000  1.0 1.0
   57    53    55    59   0.37150  1.0 1.0
   57    53    55    59   1.25400 -1.0 2.0
   57    53    55    59  -0.40250  1.0 3.0
   57    61    66    67   0.00000  1.0 1.0
   57    61    66    68   0.00000  1.0 1.0
   57    61    66    72   1.39750  1.0 1.0
   57    61    66    72  -0.07950 -1.0 2.0
   57    61    66    72  -0.18750  1.0 3.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    66   2.45000 -1.0 2.0
   61    66    72    73  -0.11250  1.0 3.0
   61    66    72    74  -0.11250  1.0 3.0
   61    66    72    75  -0.95700  1.0 1.0
   61    66    72    75  -0.18200 -1.0 2.0
   61    66    72    75   0.29450  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    72   0.30150 -1.0 2.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77  -1.63150  1.0 1.0
   66    72    75    77  -0.43550 -1.0 2.0
   66    72    75    77   0.24500  1.0 3.0
   66    72    75    80   1.36600  1.0 1.0
   66    72    75    80  -0.11450 -1.0 2.0
   66    72    75    80   0.24250  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    75    77    78   0.41150 -1.0 2.0
   72    75    77    79   0.41150 -1.0 2.0
   72    75    80    81   0.17350  1.0 3.0
   72    75    80    82   0.17350  1.0 3.0
   72    75    80    83   0.17350  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77  -0.11250  1.0 3.0
   73    72    75    80   0.19200  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77  -0.11250  1.0 3.0
   74    72    75    80   0.19200  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   76    75    80    83   0.13050  1.0 3.0
   77    75    80    81   0.17350  1.0 3.0
   77    75    80    82   0.17350  1.0 3.0
   77    75    80    83   0.17350  1.0 3.0
   80    75    77    78   0.30150 -1.0 2.0
   80    75    77    79   0.30150 -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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   46    44    43    42   1.10000 -1.0 2.0
   53    59    55    56  10.50000 -1.0 2.0
   60    55    59    63   1.00000 -1.0 2.0
   70    63    69    71  10.50000 -1.0 2.0
   58    61    57    53   1.00000 -1.0 2.0
   57    66    61    62  10.50000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
