* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    220     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096    35.37296   137.18682
    3     1 S   H    _H1_     3     1.02125    81.33162   -82.07706
    4     1 S   H    _H2_     4     1.02064    97.80861    25.79752
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C19    36     1.84897    97.40103  -178.14523
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.49607   107.69852    59.99975
   38    33 S   CT   _C7_    57     1.56512   114.33063  -169.47703
   39    38 S   HC   _H3_    58     1.08642   107.50773   -66.45972
   40    37 S   CM   _C17    38     1.33269   108.64601  -109.49682
   41    37 S   CT   _C15    44     1.50026   124.56458    66.20036
   42    41 S   HC   _H19    45     1.09435   110.57816  -129.53752
   43    41 S   HC   _H20    46     1.09323   108.77630   -15.24165
   44    38 S   CT   _C6_    59     1.54774   113.43731    48.30250
   45    44 S   HC   _H11    60     1.08779   107.92060   -31.70546
   46    44 S   HC   _H12    61     1.08898   107.85038    85.14981
   47    40 S   OS   _O34    39     1.38496   115.89613    -1.83280
   48    40 S   OH   _O36    42     1.36955   124.09683   177.93721
   49    48 S   HO   _H21    43     0.96644   110.41654  -179.95577
   50    41 S   CM   _C12    47     1.51596   114.61859   108.65216
   51    44 S   CT   _C5_    62     1.51805   110.60680  -153.30881
   52    51 S   HC   _H9_    63     1.09658   110.33748   -59.96349
   53    51 S   HC   _H10    64     1.09655   110.30099    58.27477
   54    33 S   CO4  _C18    40     1.53170   105.94270   -44.95495
   55    54 S   O    _O35    41     1.22468   124.96876   -67.37892
   56    50 S   CT   _C11    48     1.51448   119.95123   -84.12343
   57    56 S   HC   _H5_    49     1.12113   106.67287  -144.45300
   58    51 S   CT   _C4_    65     1.51961   110.59373   179.16374
   59    58 S   HC   _H6_    66     1.09454   111.02703   -58.44268
   60    58 S   HC   _H7_    67     1.09500   110.27820  -178.19962
   61    58 S   HC   _H8_    68     1.09498   111.04372    62.09358
   62    50 S   CM   _C13    73     1.34468   120.22662   100.48334
   63    62 S   HC   _H15    74     1.08186   118.51217    -0.00000
   64    56 S   CT   _C10    50     1.53143   116.36195    95.27199
   65    64 S   HC   _H13    51     1.11465   110.32197  -154.49456
   66    64 S   HC   _H14    52     1.11193   110.28737    91.66373
   67    56 S   OH   _O37    71     1.42666   110.48830   -31.92827
   68    67 S   HO   _H22    72     0.96839   106.21943  -179.94766
   69    62 S   CT   _C14    75     1.48736   123.70179   180.00000
   70    69 S   HC   _H16    76     1.09470   109.81702   -90.00245
   71    69 S   HC   _H17    77     1.09465   112.52030   149.52803
   72    69 S   HC   _H18    78     1.09418   109.84264    29.04987
   73    64 S   CO4  _C9_    53     1.52096   116.88498   -33.24927
   74    73 S   O    _O33    54     1.23477   119.97253    89.62995
   75    73 S   CT   _C8_    55     1.52200   119.91902   -91.52545
   76    75 S   HC   _H4_    56     1.11675   109.14208  -163.07791
   77    75 S   OH   _O38    69     1.42594   105.11577   -52.54605
   78    77 S   HO   _H23    70     0.96892   106.37354   -60.03587
  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
  20   2   1   1  16  20   9   9  13   4   3  14   6   5   4   2
   1  14   7   5   4   2   1  12   7   3   2   1   1   7   4   9
   5   4   2   1   3   2   1   1   5   3   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    54    55    41    75    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    47    54    55    48    41    42    43    50    73    75    76    38    39    44    45    46    51    77  
   35    36  
   36  
    0  
   40    47    54    55    48    49    41    42    43    50    56    75    38    39    44    62  
   39    44    45    46    51    52    53    58    77    78    40    41    47    54    55    64    73    74    75    76  
   44    45    46    51    77    54    73    75    76  
   47    54    55    48    49    41    42    43    50  
   42    43    50    56    57    64    67    62    63    69    47    48    54  
   43    50    56    62  
   50    56    62  
   45    46    51    52    53    58    59    60    61    77    54    73    75    76  
   46    51    52    53    58    75  
   51    52    53    58    75  
   54    55    48    49  
   49    54  
    0  
   56    57    64    65    66    73    67    68    62    63    69    70    71    72  
   52    53    58    59    60    61    75  
   53    58    59    60    61  
   58    59    60    61  
   55    75  
    0  
   57    64    65    66    73    74    75    67    68    62    63    69  
   64    65    66    73    67    68    62  
   59    60    61  
   60    61  
   61  
    0  
   63    69    70    71    72    64    67  
   69    70    71    72  
   65    66    73    74    75    76    77    67    68  
   66    73    74    75    67  
   73    74    75    67  
   68    73  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   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   0.167500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    54   317.000  1.522
   33    38   268.000  1.529
   37    40   549.000  1.340
   37    41   317.000  1.510
   40    47   440.000  1.360
   40    48   510.000  1.338
   47    54   214.000  1.327
   54    55   570.000  1.229
   48    49   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    50   317.000  1.510
   50    56   317.000  1.510
   50    62   549.000  1.340
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    38   268.000  1.529
   75    77   320.000  1.410
   38    39   340.000  1.090
   38    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   77    78   553.000  0.945
   67    68   553.000  0.945
   62    63   340.000  1.080
   62    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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  112.20000
   29    33    54    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    41    65.00000  117.92700
   33    54    47    81.00000  111.40000
   33    54    55    80.00000  120.40000
   33    38    75    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    58.35000  112.70000
   37    40    47    80.00000  120.01400
   37    40    48    80.00000  121.38400
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    50    70.00000  110.12100
   40    47    54    90.00000  114.22900
   40    48    49    70.00000  107.45700
   47    54    55    83.00000  123.40000
   54    33    37    70.00000  109.06800
   48    40    47   115.00000  116.36000
   41    37    40    70.00000  124.00000
   41    50    56    65.00000  117.92700
   41    50    62    70.00000  124.00000
   43    41    42    33.00000  107.80000
   50    41    42    35.00000  109.50000
   50    41    43    35.00000  109.50000
   50    56    57    35.00000  109.50000
   50    56    64    70.00000  112.02700
   50    56    67    90.00000  110.39200
   50    62    63    35.00000  120.00000
   50    62    69    70.00000  124.00000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    73    63.00000  111.10000
   56    67    68    55.00000  108.50000
   64    56    57    37.50000  110.70000
   64    73    74    80.00000  120.40000
   64    73    75    70.00000  116.00000
   66    64    65    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    66    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    38    63.00000  111.10000
   73    75    77    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    38    39    37.50000  110.70000
   75    38    44    58.35000  112.70000
   75    77    78    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    33    54    63.00000  111.10000
   38    75    76    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    51    58.35000  112.70000
   44    38    39    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    58    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   77    75    76    35.00000  109.50000
   77    75    38    50.00000  109.50000
   67    56    57    35.00000  109.50000
   67    56    64    50.00000  109.50000
   62    50    56    70.00000  124.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   69    62    63    35.00000  117.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    54    47   0.40000  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   29    33    38    75   0.44750  1.0 1.0
   29    33    38    75  -0.17800 -1.0 2.0
   29    33    38    75   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    40    48   7.00000 -1.0 2.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    43   0.34800  1.0 3.0
   33    37    41    50   0.09700  1.0 1.0
   33    37    41    50   0.15600 -1.0 2.0
   33    37    41    50  -0.50800  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    51   0.56750  1.0 1.0
   33    38    44    51  -0.07550 -1.0 2.0
   33    38    44    51   0.20000  1.0 3.0
   37    33   -54    47   0.40000  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    38    75   0.34400  1.0 1.0
   37    33    38    75   0.09450 -1.0 2.0
   37    33    38    75   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   0.34400  1.0 1.0
   37    33    38    44   0.09450 -1.0 2.0
   37    33    38    44   0.11100  1.0 3.0
   37    40   -47    54  -1.93650  1.0 1.0
   37    40   -47    54   2.17750 -1.0 2.0
   37    40   -47    54  -0.40250  1.0 3.0
   37    40    48    49  -0.66100  1.0 1.0
   37    40    48    49   1.20850 -1.0 2.0
   37    40    48    49  -0.36000  1.0 3.0
   37    41    50    56   0.09700  1.0 1.0
   37    41    50    56   0.15600 -1.0 2.0
   37    41    50    56  -0.50800  1.0 3.0
   37    41    50    62  -0.28300  1.0 1.0
   37    41    50    62   0.26700 -1.0 2.0
   37    41    50    62  -0.63300  1.0 3.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    37    41    50  -0.28300  1.0 1.0
   40    37    41    50   0.26700 -1.0 2.0
   40    37    41    50  -0.63300  1.0 3.0
   40    47   -54    33   0.82650  1.0 1.0
   40    47   -54    33   1.69000 -1.0 2.0
   40    47    54    55   3.00000 -1.0 2.0
   47    40    48    49   2.00000 -1.0 2.0
   54    33   -37    40  -0.51250  1.0 1.0
   54    33   -37    40  -0.88800 -1.0 2.0
   54    33   -37    40   0.08850  1.0 3.0
   54    33    37    41   0.17250  1.0 1.0
   54    33    37    41  -0.04100 -1.0 2.0
   54    33    37    41  -0.33850  1.0 3.0
   54    33    38    75  -0.95700  1.0 1.0
   54    33    38    75  -0.18200 -1.0 2.0
   54    33    38    75   0.29450  1.0 3.0
   54    33    38    39  -0.11250  1.0 3.0
   54    33    38    44  -0.95700  1.0 1.0
   54    33    38    44  -0.18200 -1.0 2.0
   54    33    38    44   0.29450  1.0 3.0
   48    40    47    54   2.00000 -1.0 2.0
   41    37    40    47   7.00000 -1.0 2.0
   41    37    40    48   7.00000 -1.0 2.0
   41    50    56    57   0.34800  1.0 3.0
   41    50    56    64   0.46850  1.0 1.0
   41    50    56    64   0.08550 -1.0 2.0
   41    50    56    64   0.09800  1.0 3.0
   41    50    56    67   0.18000  1.0 1.0
   41    50    56    67   0.16450 -1.0 2.0
   41    50    56    67   0.04450  1.0 3.0
   41    50    62    63   7.00000 -1.0 2.0
   41    50    62    69   7.00000 -1.0 2.0
   42    41    50    56   0.34800  1.0 3.0
   42    41    50    62   0.00000  1.0 1.0
   43    41    50    56   0.34800  1.0 3.0
   43    41    50    62   0.00000  1.0 1.0
   50    56    64    65   0.15000  1.0 3.0
   50    56    64    66   0.15000  1.0 3.0
   50    56    64    73  -0.98800  1.0 1.0
   50    56    64    73   0.48800 -1.0 2.0
   50    56    64    73   0.76800  1.0 3.0
   50    56    67    68  -0.07800  1.0 1.0
   50    56    67    68  -0.21500 -1.0 2.0
   50    56    67    68  -0.03150  1.0 3.0
   50    62    69    70   0.00000  1.0 1.0
   50    62    69    71   0.00000  1.0 1.0
   50    62    69    72   0.00000  1.0 1.0
   56    50    62    63   7.00000 -1.0 2.0
   56    50    62    69   7.00000 -1.0 2.0
   56    64    73    74   0.30150 -1.0 2.0
   56    64    73    75   0.60050  1.0 1.0
   56    64    73    75   0.05600 -1.0 2.0
   56    64    73    75   0.26150  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    73  -0.11250  1.0 3.0
   57    56    67    68   0.19450  1.0 3.0
   64    56    67    68  -0.11600  1.0 1.0
   64    56    67    68  -0.09450 -1.0 2.0
   64    56    67    68   0.21250  1.0 3.0
   64    73    75    76   0.00000  1.0 1.0
   64    73    75    38   0.60050  1.0 1.0
   64    73    75    38   0.05600 -1.0 2.0
   64    73    75    38   0.26150  1.0 3.0
   64    73    75    77   0.55300  1.0 1.0
   64    73    75    77   1.25850 -1.0 2.0
   64    73    75    77  -0.23600  1.0 3.0
   65    64    73    74   0.00000  1.0 1.0
   65    64    73    75   0.00000  1.0 1.0
   66    64    73    74   0.00000  1.0 1.0
   66    64    73    75   0.00000  1.0 1.0
   73    75    38    33  -0.95700  1.0 1.0
   73    75    38    33  -0.18200 -1.0 2.0
   73    75    38    33   0.29450  1.0 3.0
   73    75    38    39  -0.11250  1.0 3.0
   73    75    38    44  -0.95700  1.0 1.0
   73    75    38    44  -0.18200 -1.0 2.0
   73    75    38    44   0.29450  1.0 3.0
   73    75    77    78   0.91850  1.0 1.0
   73    75    77    78   0.57950  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    38   0.30150 -1.0 2.0
   74    73    75    77   0.30150 -1.0 2.0
   75    38    44    45   0.15000  1.0 3.0
   75    38    44    46   0.15000  1.0 3.0
   75    38    44    51   0.56750  1.0 1.0
   75    38    44    51  -0.07550 -1.0 2.0
   75    38    44    51   0.20000  1.0 3.0
   76    75    38    33   0.15000  1.0 3.0
   76    75    38    39   0.15000  1.0 3.0
   76    75    38    44   0.15000  1.0 3.0
   76    75    77    78   0.19450  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    41   0.46850  1.0 1.0
   38    33    37    41   0.08550 -1.0 2.0
   38    33    37    41   0.09800  1.0 3.0
   38    33    54    47   0.36750  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
   38    75    77    78  -0.11600  1.0 1.0
   38    75    77    78  -0.09450 -1.0 2.0
   38    75    77    78   0.21250  1.0 3.0
   38    44    51    52   0.15000  1.0 3.0
   38    44    51    53   0.15000  1.0 3.0
   38    44    51    58   0.56750  1.0 1.0
   38    44    51    58  -0.07550 -1.0 2.0
   38    44    51    58   0.20000  1.0 3.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    51   0.15000  1.0 3.0
   44    51    58    59   0.15000  1.0 3.0
   44    51    58    60   0.15000  1.0 3.0
   44    51    58    61   0.15000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    58   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    58   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    61   0.15000  1.0 3.0
   77    75    38    33   0.86500  1.0 1.0
   77    75    38    33  -0.17500 -1.0 2.0
   77    75    38    33   0.20800  1.0 3.0
   77    75    38    39   0.23400  1.0 3.0
   77    75    38    44   0.86500  1.0 1.0
   77    75    38    44  -0.17500 -1.0 2.0
   77    75    38    44   0.20800  1.0 3.0
   67    56    64    65   0.23400  1.0 3.0
   67    56    64    66   0.23400  1.0 3.0
   67    56    64    73  -0.09450  1.0 1.0
   67    56    64    73  -1.12950 -1.0 2.0
   67    56    64    73   0.54000  1.0 3.0
   62    50    56    57   0.00000  1.0 1.0
   62    50    56    64   0.09850  1.0 1.0
   62    50    56    64   0.15250 -1.0 2.0
   62    50    56    64  -0.50650  1.0 3.0
   62    50    56    67   0.67800  1.0 1.0
   62    50    56    67   0.47050 -1.0 2.0
   62    50    56    67  -0.62500  1.0 3.0
   63    62    69    70   0.33100  1.0 3.0
   63    62    69    71   0.33100  1.0 3.0
   63    62    69    72   0.33100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    40   1.10000 -1.0 2.0
   47    48    40    37   1.10000 -1.0 2.0
   33    47    54    55  10.50000 -1.0 2.0
   41    56    50    62   1.10000 -1.0 2.0
   64    75    73    74  10.50000 -1.0 2.0
   69    63    62    50   1.10000 -1.0 2.0
END
