* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    162    278     487
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050   104.98868   -31.89950
    3     1 S   H    _H1_     3     1.02134    66.89113    72.38194
    4     1 S   H    _H2_     4     1.02142    45.90223  -133.58786
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.82574    98.04666  -178.15613
   34    33 S   HC   _H9_    37     1.09359   105.46441    33.75360
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C17    38     1.53922   111.10495   -79.99249
   39    38 S   HC   _H8_    39     1.09595   109.09614    66.62791
   40    33 S   C4T  _C8_    66     1.54845   111.23277   151.26616
   41    38 S   CT   _C16    40     1.52689   112.46498  -173.66773
   42    41 S   HC   _H23    41     1.09548   109.96769   179.30677
   43    41 S   HC   _H24    42     1.09330   113.22022   -58.44378
   44    40 S   C4T  _C5_    67     1.56747   118.28020    57.18028
   45    44 S   HC   _H3_    68     1.09858   112.30084    25.91450
   46    49 S   C4T  _C7_    72     1.52046   110.53303   -65.42607
   47    38 S   OH   _O33    77     1.42639   112.59696   -51.22670
   48    47 S   HO   _H25    78     0.96924   106.45396   175.19535
   49    41 S   NP   _N4_    43     1.49698   108.14440    63.81133
   50    49 S   H    _H7_    44     1.02962   104.28845    51.15163
   51    44 S   C4T  _C6_    69     1.54360    89.46548   137.26071
   52    51 S   HC   _H13    70     1.09234   116.33152    97.89694
   53    51 S   HC   _H14    71     1.09597   113.43046  -139.69266
   54    44 S   CT   _C4_    73     1.51145   121.58788  -100.50545
   55    54 S   HC   _H10    74     1.09437   110.63977   -50.58830
   56    54 S   HC   _H11    75     1.09414   110.65130  -170.65149
   57    54 S   HC   _H12    76     1.09442   110.60471    69.36432
   58    49 S   CT   _C15    45     1.50975   117.79271   166.19002
   59    58 S   HC   _H21    46     1.09577   107.20365   -42.81871
   60    58 S   HC   _H22    47     1.09587   106.40852  -157.32346
   61    58 S   CT   _C14    48     1.52331   114.57666    80.97887
   62    61 S   HC   _H19    49     1.09680   109.37103   -72.02548
   63    61 S   HC   _H20    50     1.09606   109.27629   171.86096
   64    61 S   CT   _C13    51     1.52900   112.62826    50.15562
   65    64 S   HC   _H17    52     1.09595   110.47929    64.49665
   66    64 S   HC   _H18    53     1.09566   109.32977  -177.23452
   67    64 S   CT   _C12    54     1.51885   107.15399   -57.14360
   68    67 S   HC   _H6_    55     1.09898   106.17485   -53.16552
   69    67 S   CT   _C11    56     1.53801   115.36707  -167.10967
   70    69 S   HC   _H5_    57     1.09531   111.08050    51.09017
   71    69 S   CT   _C10    58     1.51592   109.11774   173.69777
   72    71 S   HC   _H15    59     1.09200   113.47774   -47.54392
   73    71 S   HC   _H16    60     1.09811   110.21566  -168.74569
   74    71 S   CT   _C9_    61     1.51871    98.85274    75.80605
   75    74 S   HC   _H4_    62     1.09327   111.12550   160.11362
   76    74 S   CO4  _C19    63     1.51444    97.25057    46.06276
   77    76 S   O    _O35    64     1.21977   126.38433   148.95995
   78    69 S   OS   _O34    65     1.43011   113.36854   -72.17303
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  13   7  27  13   6   5  15   9  22   2   1
  15   6  12   3   2   4   2   1   1   9   5   4   8   5   4   8
   4   3   9   4   9   6   7   5   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    74    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    49    67    71    74    75    76    40    44    45    51    46    54    47    48  
   38    39    41    74    40    44    46    47  
   36    37  
   37  
    0  
   39    41    42    43    49    50    58    74    40    44    46    47    48  
   41    42    43    49    40    47    48  
   44    45    51    52    53    46    54    55    56    57    47    41    49    50    58    64    67    68    69    71    72    73    74    75    76    77    78  
   42    43    49    50    58    59    60    61    67    51    46    47    48  
   43    49    50    58    46    47  
   49    50    58    46    47  
   45    51    52    53    46    54    55    56    57    49    67    71    74    75    76  
   51    52    53    46    54    55    56    57    74  
   54    49    50    51    52    53    58    59    60    61    64    65    66    67    68    69    70    71    74    75    76    78  
   48    49  
    0  
   50    58    59    60    61    62    63    64    67    68    69    74    51    52    53  
   58    59    60    61    67    51  
   52    53    54    55    56    57    58    64    67    68    69    74  
   53    54    67  
   54    67  
   55    56    57    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    78  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74    76    78  
   69    70    71    78  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    76    78  
   72    73    74    75    76    77    78  
   73    74    75    76    78  
   74    75    76    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.166300   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   260.000  1.519
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    47   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   367.000  1.471
   49    50   434.000  1.010
   49    58   367.000  1.471
   49    46   367.000  1.471
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    46   260.000  1.519
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    78   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.522
   74    40   260.000  1.519
   76    77   570.000  1.229
   76    78   214.000  1.327
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    54   260.000  1.519
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    46   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    74    58.35000  112.70000
   33    40    44    65.00000  119.52000
   33    40    46    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    49    80.00000  111.20000
   38    47    48    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    49    50    35.00000  109.50000
   41    49    58    75.00000  113.01200
   41    49    46    75.00000  113.01200
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  109.50000
   49    58    59    35.00000  109.50000
   49    58    60    35.00000  109.50000
   49    58    61    80.00000  111.20000
   49    46    67    80.00000  111.20000
   49    46    40    80.00000  111.20000
   49    46    51    80.00000  111.20000
   58    49    50    35.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    46    70.00000  112.98000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    58.35000  112.70000
   67    69    78    50.00000  109.50000
   67    46    40    65.00000  119.52000
   67    46    51    65.00000  119.52000
   69    67    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    78    76    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    63.00000  111.10000
   71    74    40    70.00000  112.98000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    80.00000  120.40000
   74    76    78    81.00000  111.40000
   74    40    44    65.00000  119.52000
   74    40    46    65.00000  119.52000
   76    74    75    35.00000  109.50000
   78    69    70    35.00000  109.50000
   78    69    71    50.00000  109.50000
   78    76    77    83.00000  123.40000
   40    33    34    45.00000  111.22300
   40    33    38    70.00000  112.98000
   40    74    75    45.00000  111.22300
   40    74    76    63.00000  111.10000
   40    44    45    37.50000  110.70000
   40    44    51    63.00000   92.00000
   40    44    54    65.00000  119.52000
   40    46    51    63.00000   92.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    46    63.00000   92.00000
   44    54    55    45.00000  111.22300
   44    54    56    45.00000  111.22300
   44    54    57    45.00000  111.22300
   51    44    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   46    49    50    35.00000  109.50000
   46    49    58    75.00000  113.01200
   46    67    68    45.00000  111.22300
   46    67    69    70.00000  112.98000
   46    40    44    63.00000   92.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   54    44    45    45.00000  112.72800
   54    44    51    65.00000  119.52000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    41    50.00000  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   0.01700  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    49   1.36600  1.0 1.0
   33    38    41    49  -0.11450 -1.0 2.0
   33    38    41    49   0.24250  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    51  -0.70950  1.0 1.0
   33    40    44    51   0.38400 -1.0 2.0
   33    40    44    54   0.56750  1.0 1.0
   33    40    44    54  -0.07550 -1.0 2.0
   33    40    44    54   0.20000  1.0 3.0
   33    40   -46    49   1.36600  1.0 1.0
   33    40   -46    49  -0.11450 -1.0 2.0
   33    40   -46    49   0.24250  1.0 3.0
   33    40    46    67   0.56750  1.0 1.0
   33    40    46    67  -0.07550 -1.0 2.0
   33    40    46    67   0.20000  1.0 3.0
   33    40   -46    51  -0.70950  1.0 1.0
   33    40   -46    51   0.38400 -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    47   0.23400  1.0 3.0
   34    33    40    74   0.15000  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.00000  1.0 1.0
   38    33    40    74   0.56750  1.0 1.0
   38    33    40    74  -0.07550 -1.0 2.0
   38    33    40    74   0.20000  1.0 3.0
   38    33    40    44   0.04050  1.0 1.0
   38    33    40    44   0.63700 -1.0 2.0
   38    33    40    44   0.17650  1.0 3.0
   38    33    40    46   0.04050  1.0 1.0
   38    33    40    46   0.63700 -1.0 2.0
   38    33    40    46   0.17650  1.0 3.0
   38    41    49    50   0.17350  1.0 3.0
   38    41    49    58   0.47100  1.0 1.0
   38    41   -49    46   0.47100  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    49   0.19200  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   41    38    47    48  -0.11600  1.0 1.0
   41    38    47    48  -0.09450 -1.0 2.0
   41    38    47    48   0.21250  1.0 3.0
   41    49    58    59   0.15000  1.0 3.0
   41    49    58    60   0.15000  1.0 3.0
   41    49    58    61   0.47100  1.0 1.0
   41    49    46    67   0.47100  1.0 1.0
   41    49    46    40   0.47100  1.0 1.0
   41    49    46    51   0.47100  1.0 1.0
   42    41    49    50   0.13050  1.0 3.0
   42    41    49    58   0.15000  1.0 3.0
   42    41    49    46   0.15000  1.0 3.0
   43    41    49    50   0.13050  1.0 3.0
   43    41    49    58   0.15000  1.0 3.0
   43    41    49    46   0.15000  1.0 3.0
   49    58    61    62   0.19200  1.0 3.0
   49    58    61    63   0.19200  1.0 3.0
   49    58    61    64   1.36600  1.0 1.0
   49    58    61    64  -0.11450 -1.0 2.0
   49    58    61    64   0.24250  1.0 3.0
   50    49    58    59   0.13050  1.0 3.0
   50    49    58    60   0.13050  1.0 3.0
   50    49    58    61   0.17350  1.0 3.0
   50    49    46    67   0.17350  1.0 3.0
   50    49    46    40   0.17350  1.0 3.0
   50    49    46    51   0.17350  1.0 3.0
   58    49    46    67   0.47100  1.0 1.0
   58    49    46    40   0.47100  1.0 1.0
   58    49    46    51   0.47100  1.0 1.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61   -64    67   0.56750  1.0 1.0
   58    61   -64    67  -0.07550 -1.0 2.0
   58    61   -64    67   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.56750  1.0 1.0
   61    64    67    69  -0.07550 -1.0 2.0
   61    64    67    69   0.20000  1.0 3.0
   61    64    67    46   0.31550 -1.0 2.0
   61    64    67    46   0.11250  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.56750  1.0 1.0
   64    67    69    71  -0.07550 -1.0 2.0
   64    67    69    71   0.20000  1.0 3.0
   64    67    69    78   0.62750  1.0 1.0
   64    67    69    78  -0.30950 -1.0 2.0
   64    67    69    78   0.27300  1.0 3.0
   64    67   -46    49   1.36600  1.0 1.0
   64    67   -46    49  -0.11450 -1.0 2.0
   64    67   -46    49   0.24250  1.0 3.0
   64    67    46    40   0.04050  1.0 1.0
   64    67    46    40   0.63700 -1.0 2.0
   64    67    46    40   0.17650  1.0 3.0
   64    67    46    51   0.04050  1.0 1.0
   64    67    46    51   0.63700 -1.0 2.0
   64    67    46    51   0.17650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    46   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    46   0.15000  1.0 3.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    73   0.15000  1.0 3.0
   67    69    71    74   0.56750  1.0 1.0
   67    69    71    74  -0.07550 -1.0 2.0
   67    69    71    74   0.20000  1.0 3.0
   67    69    78    76  -0.25900  1.0 1.0
   67    69    78    76  -0.47000 -1.0 2.0
   67    69    78    76   0.11750  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    78   0.23400  1.0 3.0
   68    67    46    49   0.19200  1.0 3.0
   68    67    46    40   0.00000  1.0 1.0
   68    67    46    51   0.00000  1.0 1.0
   69    67    46    49   1.36600  1.0 1.0
   69    67    46    49  -0.11450 -1.0 2.0
   69    67    46    49   0.24250  1.0 3.0
   69    67    46    40   0.04050  1.0 1.0
   69    67    46    40   0.63700 -1.0 2.0
   69    67    46    40   0.17650  1.0 3.0
   69    67    46    51   0.04050  1.0 1.0
   69    67    46    51   0.63700 -1.0 2.0
   69    67    46    51   0.17650  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71   -74    76  -0.95700  1.0 1.0
   69    71   -74    76  -0.18200 -1.0 2.0
   69    71   -74    76   0.29450  1.0 3.0
   69    71   -74    40   0.31550 -1.0 2.0
   69    71   -74    40   0.11250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    78    76   0.08050  1.0 3.0
   71    69   -78    76  -0.25900  1.0 1.0
   71    69   -78    76  -0.47000 -1.0 2.0
   71    69   -78    76   0.11750  1.0 3.0
   71    74    76    77   0.30150 -1.0 2.0
   71    74   -76    78   0.36750  1.0 3.0
   71    74    40    33   0.56750  1.0 1.0
   71    74    40    33  -0.07550 -1.0 2.0
   71    74    40    33   0.20000  1.0 3.0
   71    74    40    44   0.04050  1.0 1.0
   71    74    40    44   0.63700 -1.0 2.0
   71    74    40    44   0.17650  1.0 3.0
   71    74    40    46   0.04050  1.0 1.0
   71    74    40    46   0.63700 -1.0 2.0
   71    74    40    46   0.17650  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76  -0.11250  1.0 3.0
   72    71    74    40   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76  -0.11250  1.0 3.0
   73    71    74    40   0.15000  1.0 3.0
   74    76   -78    69   1.63150  1.0 1.0
   74    76   -78    69   2.92000 -1.0 2.0
   74    40    44    45   0.15000  1.0 3.0
   74    40    44    51  -0.70950  1.0 1.0
   74    40    44    51   0.38400 -1.0 2.0
   74    40    44    54   0.56750  1.0 1.0
   74    40    44    54  -0.07550 -1.0 2.0
   74    40    44    54   0.20000  1.0 3.0
   74    40    46    49   1.36600  1.0 1.0
   74    40    46    49  -0.11450 -1.0 2.0
   74    40    46    49   0.24250  1.0 3.0
   74    40   -46    67   0.56750  1.0 1.0
   74    40   -46    67  -0.07550 -1.0 2.0
   74    40   -46    67   0.20000  1.0 3.0
   74    40   -46    51  -0.70950  1.0 1.0
   74    40   -46    51   0.38400 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    44   0.00000  1.0 1.0
   75    74    40    46   0.00000  1.0 1.0
   76    74    40    33  -0.95700  1.0 1.0
   76    74    40    33  -0.18200 -1.0 2.0
   76    74    40    33   0.29450  1.0 3.0
   76    74    40    44  -0.95700  1.0 1.0
   76    74    40    44  -0.18200 -1.0 2.0
   76    74    40    44   0.29450  1.0 3.0
   76    74    40    46  -0.95700  1.0 1.0
   76    74    40    46  -0.18200 -1.0 2.0
   76    74    40    46   0.29450  1.0 3.0
   77    76    78    69   3.00000 -1.0 2.0
   78    69    71    72   0.23400  1.0 3.0
   78    69    71    73   0.23400  1.0 3.0
   78    69   -71    74   0.62750  1.0 1.0
   78    69   -71    74  -0.30950 -1.0 2.0
   78    69   -71    74   0.27300  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.31550 -1.0 2.0
   40    33   -38    41   0.11250  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   40    74    76    77   0.30150 -1.0 2.0
   40    74    76    78   0.36750  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44   -51    46   0.00000  1.0 1.0
   40    44    54    55   0.00000  1.0 1.0
   40    44    54    56   0.00000  1.0 1.0
   40    44    54    57   0.00000  1.0 1.0
   44    40    46    49   1.36600  1.0 1.0
   44    40    46    49  -0.11450 -1.0 2.0
   44    40    46    49   0.24250  1.0 3.0
   44    40    46    67  -0.70950  1.0 1.0
   44    40    46    67   0.38400 -1.0 2.0
   44    40   -46    51   0.00000  1.0 1.0
   44    51   -46    49   1.36600  1.0 1.0
   44    51   -46    49  -0.11450 -1.0 2.0
   44    51   -46    49   0.24250  1.0 3.0
   44    51   -46    67  -0.70950  1.0 1.0
   44    51   -46    67   0.38400 -1.0 2.0
   44    51   -46    40   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    46   0.15000  1.0 3.0
   45    44    54    55   0.15000  1.0 3.0
   45    44    54    56   0.15000  1.0 3.0
   45    44    54    57   0.15000  1.0 3.0
   51    44    54    55   0.00000  1.0 1.0
   51    44    54    56   0.00000  1.0 1.0
   51    44    54    57   0.00000  1.0 1.0
   52    51    46    49   0.19200  1.0 3.0
   52    51    46    67   0.15000  1.0 3.0
   52    51   -46    40   0.15000  1.0 3.0
   53    51    46    49   0.19200  1.0 3.0
   53    51    46    67   0.15000  1.0 3.0
   53    51   -46    40   0.15000  1.0 3.0
   46    49    58    59   0.15000  1.0 3.0
   46    49    58    60   0.15000  1.0 3.0
   46    49   -58    61   0.47100  1.0 1.0
   46    67    69    70   0.15000  1.0 3.0
   46    67   -69    71   0.31550 -1.0 2.0
   46    67   -69    71   0.11250  1.0 3.0
   46    67    69    78   0.62750  1.0 1.0
   46    67    69    78  -0.30950 -1.0 2.0
   46    67    69    78   0.27300  1.0 3.0
   46    40   -44    45   0.15000  1.0 3.0
   46    40   -44    51   0.00000  1.0 1.0
   46    40    44    54  -0.70950  1.0 1.0
   46    40    44    54   0.38400 -1.0 2.0
   54    44    51    52   0.15000  1.0 3.0
   54    44    51    53   0.15000  1.0 3.0
   54    44   -51    46  -0.70950  1.0 1.0
   54    44   -51    46   0.38400 -1.0 2.0
   47    38    41    42   0.23400  1.0 3.0
   47    38    41    43   0.23400  1.0 3.0
   47    38    41    49   1.69300  1.0 1.0
   47    38    41    49  -0.48450 -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
   74    78    76    77  10.50000 -1.0 2.0
END
