* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    245     437
    1     0 S   NP   _N1_     1    28.37661    95.52084   -21.69299
    2     1 S   H    _HN1     2     1.02827    34.47347   174.56992
    3     1 S   H    _H1_     3     1.02770    91.71590   -65.30528
    4     1 S   H    _H2_     4     1.02969    84.31110    42.97263
    5     1 S   CT   _CA1     5     1.50162   144.60799   160.47065
    6     5 S   HC   _HA1     6     1.09584   105.16734    67.50225
    7     5 S   CO3  _C1_     7     1.53779   112.52637   -52.43856
    8     7 S   O2Z  _O11     8     1.26345   115.00507   -39.27819
    9     7 S   O2Z  _O12     9     1.26256   114.93160   139.79518
   10     5 S   CT   _CB1    10     1.53098   107.35432  -174.73564
   11    10 S   HC   HB11    11     1.09818   109.09664   -51.68545
   12    10 S   HC   HB12    12     1.09820   110.43549    64.76988
   13    10 S   CT   _CG1    13     1.52990   112.82531  -172.95199
   14    13 S   HC   HG11    14     1.09609   110.26948   -66.55034
   15    13 S   HC   HG12    15     1.09654   110.08762    52.64603
   16    13 S   C    _CD1    16     1.51833   112.43548   172.76131
   17    16 S   O    _OE1    17     1.22717   123.31391    -6.75227
   18    16 S   N    _N2_    18     1.38613   111.59674   174.03159
   19    18 S   H    _HN2    19     1.01593   118.96033     0.27836
   20    18 S   CT1  _CA2    20     1.46129   123.44209  -179.90935
   21    20 S   HC   _HA2    21     1.09747   109.39639   -12.42656
   22    20 S   C    _C2_    22     1.53413   108.29196  -127.92026
   23    22 S   O    _O2_    23     1.23022   122.29574  -145.16242
   24    20 S   CT   _CB2    32     1.53476   111.49396   109.78120
   25    24 S   HC   HB21    33     1.09401   109.69317    53.86476
   26    24 S   HC   HB22    34     1.09395   109.65979   172.26538
   27    22 S   N    _N3_    24     1.38515   113.34438    42.37875
   28    27 S   H    _HN3    25     1.01521   118.95962    -0.68471
   29    24 S   S    _SG2    35     1.83175   111.33641   -68.55369
   30    27 S   CT   _CA3    26     1.45428   123.23967   174.64090
   31    30 S   HC   HA31    27     1.09538   108.97631    29.37155
   32    30 S   HC   HA32    28     1.09486   107.19356   146.37425
   33    29 S   CT   _C10    36     1.85523   101.97533   163.69585
   34    30 S   CO3  _C3_    29     1.52959   113.28306   -93.88230
   35    34 S   O2Z  _O31    30     1.26391   115.50676   -41.71587
   36    34 S   O2Z  _O32    31     1.26370   114.91082   139.18178
   37    33 S   CT1  _C9_    37     1.56657   114.14298   178.79309
   38    37 S   HC   _H6_    38     1.09647   111.78499  -102.01371
   39    33 S   S    _S1_    63     1.89196   109.04048    58.37678
   40    37 S   N4   _N4_    39     1.46233   101.80114   147.50739
   41    37 S   CO3  _C16    60     1.54206   118.26165    21.53272
   42    41 S   O2Z  _O35    61     1.26105   116.66780    64.26724
   43    41 S   O2Z  _O34    62     1.26624   114.11461  -115.33452
   44    39 S   CT   _C11    64     1.82450   101.89961    59.13987
   45    44 S   HC   _H7_    65     1.09568   111.34288    11.80016
   46    40 S   C4   _C8_    40     1.35243   132.35346  -135.40133
   47    46 S   O    _O33    41     1.20944   132.83671   -37.78489
   48    40 S   C4T  _C6_    44     1.46562   117.29879    -3.73025
   49    48 S   HC   _H4_    45     1.09908   110.22541   100.75830
   50    44 S   CT   _C12    66     1.55505   112.26588  -109.69893
   51    50 S   HC   _H12    67     1.09361   114.01110   -29.52956
   52    50 S   HC   _H13    68     1.09220   113.07472    99.41232
   53    44 S   CT   _C15    76     1.56103   111.59957   131.81222
   54    53 S   HC   _H16    77     1.09323   111.89149   -97.51870
   55    53 S   HC   _H17    78     1.09455   113.43568    28.24912
   56    46 S   C4T  _C7_    42     1.55091    91.02862   138.01483
   57    56 S   HC   _H5_    43     1.09687   111.78596  -114.12858
   58    33 S   CT   _C5_    46     1.59040   114.14656   -61.16806
   59    58 S   HC   _H3_    47     1.09815   110.20761    85.53745
   60    50 S   N5P  _N5_    69     1.44613   101.20816  -144.07511
   61    58 S   CT   _C4_    48     1.53075   117.26101   -35.86228
   62    61 S   HC   _H9_    49     1.09131   112.73958   -58.30988
   63    61 S   HC   _H10    50     1.09618   109.92375  -177.60894
   64    61 S   HC   _H11    51     1.09260   112.14534    64.18350
   65    56 S   CT   _C17    52     1.52330   115.64025   116.56781
   66    65 S   HC   _H8_    53     1.09591   111.04798   -47.54284
   67    60 S   C5X  _C13    70     1.35702   137.52720  -164.47613
   68    67 S   HA   _H14    71     1.08065   124.71492    -0.75381
   69    65 S   CT   _C18    54     1.52173   110.85797    75.11550
   70    69 S   HC   _H18    55     1.09581   110.98004    59.19515
   71    69 S   HC   _H19    56     1.09388   111.60351   -61.67730
   72    69 S   HC   _H20    57     1.09523   110.53585   177.46379
   73    65 S   OH   _O36    58     1.42556   107.92502  -165.65789
   74    73 S   HO   _H21    59     0.97256   107.54626  -179.83929
   75    67 S   N5B  _N6_    72     1.34735   108.89140   179.20549
   76    75 S   C5X  _C14    73     1.41079   105.34706    -0.20936
   77    76 S   HA   _H15    74     1.07821   123.66382  -179.57022
   78    60 S   N5P  _N7_    75     1.34798   112.28696    14.53148
  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
  21   2   1   1  15   8  16  13   5   1   1  12   8  10   4  13
   6  11   5   4   8   4   3  12   5   6   4   6   3   2   1   1
   7   6   5   3   5   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    58    59    61    41    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    46    56    48    49    58    59    61    62    63    64    41    42    43    39    44    45    50    53  
   35    36  
   36  
    0  
   38    40    46    47    56    48    49    58    59    61    41    42    43    39    44  
   40    46    48    58    41    42    43    39  
   44    45    50    51    52    60    78    53    54    55    40    41    48    58    59    61  
   46    47    56    57    48    49    58    59    61    65    41    42    43  
   42    43    46    48    58  
   43  
    0  
   45    50    51    52    60    67    76    78    53    54    55    58  
   50    51    52    60    78    53    54    55  
   47    56    57    48    49    58    65    66    69    73  
   56    57    48    65  
   49    58    59    61    62    63    64    65    66    69    73    56    57  
   58    59    61    65    56    57  
   51    52    60    67    68    75    76    78    53    54    55  
   52    60    67    78    53  
   60    67    78    53  
   54    55    60    67    75    76    77    78  
   55    60    76    78  
   60    76    78  
   57    58    59    61    65    66    69    70    71    72    73    74  
   58    65    66    69    73  
   59    61    62    63    64    65  
   61    62    63    64  
   67    68    75    76    77    78  
   62    63    64  
   63    64  
   64  
    0  
   66    69    70    71    72    73    74  
   69    70    71    72    73    74  
   68    75    76    77    78  
   75    76    78  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    0  
   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.154800   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700   0.000900   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.470000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.164900   1.3810   1.2100   0.030040813   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2800   0.1700  -0.516500   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5500   0.0700   0.470200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.165000   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700   0.000500   1.9750   1.7500   0.001000000  -0.511443539
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    58   268.000  1.529
   33    39   222.000  1.810
   37    38   340.000  1.090
   37    40   337.000  1.449
   37    41   317.000  1.522
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    56   250.000  1.540
   56    57   340.000  1.090
   56    48   268.000  1.529
   56    65   260.000  1.519
   48    49   340.000  1.090
   48    58   260.000  1.519
   58    59   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
   39    44   222.000  1.810
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   300.000  1.456
   60    67   455.000  1.369
   60    78   275.000  1.382
   67    68   367.000  1.080
   67    75   580.000  1.314
   75    76   580.000  1.314
   76    77   367.000  1.080
   76    78   455.000  1.369
   78    53   300.000  1.456
   53    54   340.000  1.090
   53    55   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  108.68000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    40    80.00000  109.70000
   33    37    41    63.00000  111.10000
   33    58    48    70.00000  112.98000
   33    58    59    37.50000  110.70000
   33    58    61    58.35000  112.70000
   33    39    44    62.00000   98.90000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    70.00000  117.00000
   37    41    43    70.00000  117.00000
   40    37    38    35.00000  109.50000
   40    46    47    75.00000  131.60000
   40    46    56    95.00000   92.72400
   40    48    56   105.00000   87.49700
   40    48    49    50.00000  112.01000
   40    48    58    80.00000  110.05700
   46    56    57    40.00000  113.37500
   46    56    48   100.00000   86.36000
   46    56    65    63.00000  111.10000
   56    46    47    60.00000  136.58000
   56    48    49    37.50000  110.70000
   56    48    58    65.00000  119.52000
   56    65    66    45.00000  111.22300
   56    65    69    70.00000  112.98000
   56    65    73    50.00000  109.50000
   48    40    46   100.00000   93.00000
   48    56    57    37.50000  110.70000
   48    58    59    45.00000  111.22300
   48    58    61    70.00000  112.98000
   58    33    37    58.35000  112.70000
   58    48    49    45.00000  112.72800
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   61    58    59    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    57    45.00000  112.72800
   65    56    48    65.00000  119.52000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   65    73    74    55.00000  108.50000
   69    65    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    65    66    35.00000  109.50000
   73    65    69    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    37    40    63.00000  110.10000
   43    41    42    80.00000  126.00000
   39    33    37    75.00000  108.68000
   39    33    58    75.00000  111.63000
   39    44    45    35.00000  109.50000
   39    44    50    75.00000  111.63000
   39    44    53    75.00000  111.63000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    60    75.00000  111.19500
   44    53    78    75.00000  111.19500
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   50    44    45    37.50000  110.70000
   50    60    67    60.00000  126.76000
   50    60    78    75.00000  116.00000
   52    50    51    33.00000  107.80000
   60    50    51    50.00000  107.70000
   60    50    52    50.00000  107.70000
   60    67    68    40.00000  122.05800
   60    67    75    95.00000  110.94000
   60    78    76    80.00000  120.70000
   60    78    53    75.00000  116.00000
   67    75    76    90.00000  108.12000
   75    67    68    40.00000  126.34000
   75    76    77    40.00000  126.34000
   75    76    78    95.00000  110.94000
   76    78    53    60.00000  126.76000
   78    60    67    80.00000  120.70000
   78    76    77    40.00000  122.05800
   78    53    54    50.00000  107.70000
   78    53    55    50.00000  107.70000
   53    44    45    37.50000  110.70000
   53    44    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    40   0.71400  1.0 1.0
   29    33    37    40   0.04300 -1.0 2.0
   29    33    37    40   0.01450  1.0 3.0
   29    33    37    41  -2.17200  1.0 1.0
   29    33    37    41  -0.85700 -1.0 2.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.44750  1.0 1.0
   29    33    58    61  -0.17800 -1.0 2.0
   29    33    58    61   0.20200  1.0 3.0
   29    33    39    44   0.08500  1.0 1.0
   29    33    39    44  -0.53150 -1.0 2.0
   29    33    39    44   0.48050  1.0 3.0
   33    37    40    46   0.00000  1.0 1.0
   33    37   -40    48   0.00000  1.0 1.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    43   0.00000  1.0 1.0
   33    58    61    62   0.15000  1.0 3.0
   33    58    61    63   0.15000  1.0 3.0
   33    58    61    64   0.15000  1.0 3.0
   33    39    44    45   0.32350  1.0 3.0
   33    39    44    50   0.01700  1.0 1.0
   33    39    44    50  -0.23550 -1.0 2.0
   33    39    44    50   0.21350  1.0 3.0
   33    39    44    53   0.01700  1.0 1.0
   33    39    44    53  -0.23550 -1.0 2.0
   33    39    44    53   0.21350  1.0 3.0
   37    33   -58    48   0.31550 -1.0 2.0
   37    33   -58    48   0.11250  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    61   0.56750  1.0 1.0
   37    33    58    61  -0.07550 -1.0 2.0
   37    33    58    61   0.20000  1.0 3.0
   37    33    39    44   0.01700  1.0 1.0
   37    33    39    44  -0.23550 -1.0 2.0
   37    33    39    44   0.21350  1.0 3.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    56   3.00000 -1.0 2.0
   37    40   -48    56   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    58   0.00000  1.0 1.0
   38    37    40    46   0.00000  1.0 1.0
   38    37    40    48   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    46    56    57   0.00000  1.0 1.0
   40    46   -56    48   3.00000 -1.0 2.0
   40    46    56    65   1.39750  1.0 1.0
   40    46    56    65  -0.07950 -1.0 2.0
   40    46    56    65  -0.18750  1.0 3.0
   40    48   -58    33   0.43900  1.0 1.0
   40    48   -58    33   0.49100 -1.0 2.0
   40    48   -58    33   0.28400  1.0 3.0
   40    48    58    59   0.15000  1.0 3.0
   40    48    58    61   0.43900  1.0 1.0
   40    48    58    61   0.49100 -1.0 2.0
   40    48    58    61   0.28400  1.0 3.0
   46    40   -48    56   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    58   0.00000  1.0 1.0
   46    56   -48    40   3.00000 -1.0 2.0
   46    56   -48    49   0.15000  1.0 3.0
   46    56   -48    58  -0.95700  1.0 1.0
   46    56   -48    58  -0.18200 -1.0 2.0
   46    56   -48    58   0.29450  1.0 3.0
   46    56    65    66  -0.11250  1.0 3.0
   46    56    65    69  -0.95700  1.0 1.0
   46    56    65    69  -0.18200 -1.0 2.0
   46    56    65    69   0.29450  1.0 3.0
   46    56    65    73  -0.09450  1.0 1.0
   46    56    65    73  -1.12950 -1.0 2.0
   46    56    65    73   0.54000  1.0 3.0
   47    46    56    57   0.00000  1.0 1.0
   47    46    56    48  -0.11250  1.0 1.0
   47    46    56    48   0.11400 -1.0 2.0
   47    46    56    48  -0.28950  1.0 3.0
   47    46    56    65   0.30150 -1.0 2.0
   56    48    58    33   0.04050  1.0 1.0
   56    48    58    33   0.63700 -1.0 2.0
   56    48    58    33   0.17650  1.0 3.0
   56    48    58    59   0.00000  1.0 1.0
   56    48    58    61   0.04050  1.0 1.0
   56    48    58    61   0.63700 -1.0 2.0
   56    48    58    61   0.17650  1.0 3.0
   56    65    69    70   0.15000  1.0 3.0
   56    65    69    71   0.15000  1.0 3.0
   56    65    69    72   0.15000  1.0 3.0
   56    65    73    74  -0.11600  1.0 1.0
   56    65    73    74  -0.09450 -1.0 2.0
   56    65    73    74   0.21250  1.0 3.0
   57    56   -48    40   0.15000  1.0 3.0
   57    56    48    49   0.15000  1.0 3.0
   57    56    48    58   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    69   0.15000  1.0 3.0
   57    56    65    73   0.23400  1.0 3.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    56   3.00000 -1.0 2.0
   48    56    65    66   0.00000  1.0 1.0
   48    56    65    69   0.04050  1.0 1.0
   48    56    65    69   0.63700 -1.0 2.0
   48    56    65    69   0.17650  1.0 3.0
   48    56    65    73   0.86500  1.0 1.0
   48    56    65    73  -0.17500 -1.0 2.0
   48    56    65    73   0.20800  1.0 3.0
   48    58    61    62   0.15000  1.0 3.0
   48    58    61    63   0.15000  1.0 3.0
   48    58    61    64   0.15000  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    61   0.15000  1.0 3.0
   58    33    37    38   0.15000  1.0 3.0
   58    33   -37    40   0.42250  1.0 1.0
   58    33   -37    40  -0.48100 -1.0 2.0
   58    33   -37    40   0.35650  1.0 3.0
   58    33    37    41  -0.84850  1.0 1.0
   58    33    37    41  -0.22800 -1.0 2.0
   58    33    37    41   0.29250  1.0 3.0
   58    33    39    44   0.01700  1.0 1.0
   58    33    39    44  -0.23550 -1.0 2.0
   58    33    39    44   0.21350  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
   65    56   -48    40   0.43900  1.0 1.0
   65    56   -48    40   0.49100 -1.0 2.0
   65    56   -48    40   0.28400  1.0 3.0
   65    56    48    49   0.15000  1.0 3.0
   65    56    48    58   0.56750  1.0 1.0
   65    56    48    58  -0.07550 -1.0 2.0
   65    56    48    58   0.20000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   69    65    73    74  -0.11600  1.0 1.0
   69    65    73    74  -0.09450 -1.0 2.0
   69    65    73    74   0.21250  1.0 3.0
   73    65    69    70   0.23400  1.0 3.0
   73    65    69    71   0.23400  1.0 3.0
   73    65    69    72   0.23400  1.0 3.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.71400  1.0 1.0
   39    33    37    40   0.04300 -1.0 2.0
   39    33    37    40   0.01450  1.0 3.0
   39    33    37    41  -2.17200  1.0 1.0
   39    33    37    41  -0.85700 -1.0 2.0
   39    33    58    48   0.44750  1.0 1.0
   39    33    58    48  -0.17800 -1.0 2.0
   39    33    58    48   0.20200  1.0 3.0
   39    33    58    59   0.15000  1.0 3.0
   39    33    58    61   0.44750  1.0 1.0
   39    33    58    61  -0.17800 -1.0 2.0
   39    33    58    61   0.20200  1.0 3.0
   39    44    50    51   0.15000  1.0 3.0
   39    44    50    52   0.15000  1.0 3.0
   39    44    50    60   0.56750  1.0 1.0
   39    44    50    60  -0.07550 -1.0 2.0
   39    44    50    60   0.20000  1.0 3.0
   39    44    53    78   0.56750  1.0 1.0
   39    44    53    78  -0.07550 -1.0 2.0
   39    44    53    78   0.20000  1.0 3.0
   39    44    53    54   0.15000  1.0 3.0
   39    44    53    55   0.15000  1.0 3.0
   44    50    60    67   1.10250  1.0 1.0
   44    50    60    67   0.01650 -1.0 2.0
   44    50    60    67   0.39100  1.0 3.0
   44    50   -60    78   0.68100  1.0 1.0
   44    50   -60    78   0.03350 -1.0 2.0
   44    50   -60    78   0.36200  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    60   0.15000  1.0 3.0
   45    44    53    78   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   50    44   -53    78  -0.64600  1.0 1.0
   50    44   -53    78   0.58400 -1.0 2.0
   50    44    53    54   0.15000  1.0 3.0
   50    44    53    55   0.15000  1.0 3.0
   50    60    67    68   3.62500 -1.0 2.0
   50    60    67    75   3.62500 -1.0 2.0
   50    60    78    76   3.62500 -1.0 2.0
   50    60   -78    53   3.62500 -1.0 2.0
   51    50    60    67   0.00000  1.0 1.0
   51    50    60    78   0.00000  1.0 1.0
   52    50    60    67   0.00000  1.0 1.0
   52    50    60    78   0.00000  1.0 1.0
   60    67   -75    76   3.62500 -1.0 2.0
   60    78   -53    44   0.68100  1.0 1.0
   60    78   -53    44   0.03350 -1.0 2.0
   60    78   -53    44   0.36200  1.0 3.0
   60    78    53    54   0.00000  1.0 1.0
   60    78    53    55   0.00000  1.0 1.0
   67    60   -78    76   3.62500 -1.0 2.0
   67    60    78    53   3.62500 -1.0 2.0
   67    75    76    77   3.62500 -1.0 2.0
   67    75   -76    78   3.62500 -1.0 2.0
   68    67    75    76   3.62500 -1.0 2.0
   75    76   -78    60   3.62500 -1.0 2.0
   75    76    78    53   3.62500 -1.0 2.0
   76    78    53    44   1.10250  1.0 1.0
   76    78    53    44   0.01650 -1.0 2.0
   76    78    53    44   0.39100  1.0 3.0
   76    78    53    54   0.00000  1.0 1.0
   76    78    53    55   0.00000  1.0 1.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    53   3.62500 -1.0 2.0
   78    60    67    68   3.62500 -1.0 2.0
   78    60   -67    75   3.62500 -1.0 2.0
   53    44    50    51   0.15000  1.0 3.0
   53    44    50    52   0.15000  1.0 3.0
   53    44   -50    60  -0.64600  1.0 1.0
   53    44   -50    60   0.58400 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    56    46    47  10.50000 -1.0 2.0
   42    37    41    43  10.50000 -1.0 2.0
   67    78    60    50   4.00000 -1.0 2.0
   75    68    67    60   1.10000 -1.0 2.0
   78    77    76    75   1.10000 -1.0 2.0
   76    53    78    60   4.00000 -1.0 2.0
END
