* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    233     434
    1     0 S   NP   _N1_     1    28.95043    95.53997   -24.16451
    2     1 S   H    _HN1     2     1.02960    76.80491    15.84031
    3     1 S   H    _H1_     3     1.02820    31.66689   178.53540
    4     1 S   H    _H2_     4     1.02780   109.81397   -89.17300
    5     1 S   CT   _CA1     5     1.50153   131.77958   121.43799
    6     5 S   HC   _HA1     6     1.09579   105.16834    87.30698
    7     5 S   CO3  _C1_     7     1.53788   112.49137   -32.76380
    8     7 S   O2Z  _O11     8     1.26365   115.02283   -40.73756
    9     7 S   O2Z  _O12     9     1.26252   114.94818   138.28512
   10     5 S   CT   _CB1    10     1.53062   107.34381  -154.83645
   11    10 S   HC   HB11    11     1.09829   109.21225   -50.49428
   12    10 S   HC   HB12    12     1.09818   110.45052    66.03344
   13    10 S   CT   _CG1    13     1.52981   112.74032  -171.59765
   14    13 S   HC   HG11    14     1.09590   110.48346   -66.44846
   15    13 S   HC   HG12    15     1.09667   109.93568    52.81140
   16    13 S   C    _CD1    16     1.51796   112.28196   173.03367
   17    16 S   O    _OE1    17     1.22710   123.31289     0.53302
   18    16 S   N    _N2_    18     1.38653   111.65684  -178.99051
   19    18 S   H    _HN2    19     1.01572   118.98915     1.64139
   20    18 S   CT1  _CA2    20     1.46105   123.27949   178.02038
   21    20 S   HC   _HA2    21     1.09446   109.04655     1.20756
   22    20 S   C    _C2_    22     1.53507   108.93986  -113.81996
   23    22 S   O    _O2_    23     1.23065   122.26833  -148.47505
   24    20 S   CT   _CB2    32     1.53210   111.50016   123.65682
   25    24 S   HC   HB21    33     1.09665   109.53801    57.65466
   26    24 S   HC   HB22    34     1.09505   111.34986   174.85220
   27    22 S   N    _N3_    24     1.38325   113.69846    38.96220
   28    27 S   H    _HN3    25     1.01591   119.54757    -2.97671
   29    24 S   S    _SG2    35     1.82907   114.10206   -61.76763
   30    27 S   CT   _CA3    26     1.45278   123.16745   176.86462
   31    30 S   HC   HA31    27     1.09551   107.45996   -65.94548
   32    30 S   HC   HA32    28     1.09559   108.03182    50.48501
   33    29 S   CT   _C21    36     1.83979   100.32587   -69.87858
   34    33 S   HC   _H3_    37     1.09479   106.06377    67.04383
   35    30 S   CO3  _C3_    29     1.52952   114.11904   172.58201
   36    35 S   O2Z  _O31    30     1.26372   116.08576     0.91000
   37    35 S   O2Z  _O32    31     1.26436   114.41449  -179.01643
   38    33 S   CM   _C8_    38     1.50955   108.84845  -173.35182
   39    33 S   OS   _O23    66     1.42924   110.71656   -52.63998
   40    38 S   CMA  _C9_    39     1.35242   127.06982  -112.37737
   41    40 S   OM   _O19    40     1.26290   127.75507    -0.90244
   42    39 S   CO   _C15    67     1.42364   113.00626   147.00241
   43    42 S   HC   _H34    68     1.09601   111.36180    50.03672
   44    40 S   OS   _O21    41     1.42307   110.21915  -179.88297
   45    42 S   CM   _C4_    69     1.47748   108.48063   172.22792
   46    45 S   HC   _H25    70     1.08060   123.77039   -60.44813
   47    44 S   CT   _C17    42     1.42988   106.74007   -11.74934
   48    47 S   HC   _H36    43     1.09591   109.67039  -103.36064
   49    45 S   CM   _C5_    71     1.33038   111.51947   119.43255
   50    47 S   CM   _C7_    44     1.49340   110.60249   131.86492
   51    49 S   CO4  _C10    72     1.46712   106.37145     0.05595
   52    51 S   O    _O20    73     1.21871   125.50530  -179.85329
   53    49 S   CT   _C19    75     1.47808   130.00705  -179.79729
   54    53 S   HC   _H38    76     1.09449   110.52506   119.99277
   55    53 S   HC   _H39    77     1.09480   111.42688     0.02798
   56    53 S   HC   _H40    78     1.09447   110.52827  -119.98921
   57    50 S   CM   _C6_    45     1.33842   111.67025  -107.49841
   58    42 S   OS   _O22    74     1.43181   112.78431   -73.78120
   59    57 S   CT   _C11    46     1.49019   124.58107   178.74368
   60    59 S   HC   _H26    47     1.09575   110.25108   133.72006
   61    59 S   HC   _H27    48     1.09653   108.72935  -108.89475
   62    57 S   CT   _C12    61     1.49289   112.25143     1.55180
   63    62 S   HC   _H28    62     1.09440   110.04758   110.85697
   64    62 S   HC   _H29    63     1.09498   111.30440  -128.63089
   65    59 S   CT   _C13    49     1.53425   111.96216    12.18819
   66    65 S   HC   _H30    50     1.09708   109.43242    81.08127
   67    65 S   HC   _H31    51     1.09611   109.41407  -162.53775
   68    38 S   CT   _C18    64     1.49336   121.63743    68.08303
   69    68 S   HC   _H37    65     1.09614   112.72026   -52.22936
   70    65 S   CT   _C14    52     1.53318   112.01886   -40.46283
   71    70 S   HC   _H32    53     1.09640   109.80553  -178.97340
   72    70 S   HC   _H33    54     1.09849   108.41547   -63.13872
   73    50 S   CT   _C16    55     1.49910   123.84421    70.01268
   74    73 S   HC   _H35    56     1.09739   108.98027   -45.42864
   75    73 S   CT   _C20    57     1.53030   110.66441    73.12996
   76    75 S   HC   _H41    58     1.09541   111.90525    58.77778
   77    75 S   HC   _H42    59     1.09550   111.06072   -61.60626
   78    75 S   HC   _H43    60     1.09534   110.69651   179.22066
  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   7   5   4   3
  14   5   2   1   1  14   9   8   3   8   5   8   9   4  13   6
   7  19   6   2   4   2   1   1  15   1  13   6   5   6   3   2
   8   5   4   2   1   8   4   3   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    68    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    47    62    68    69    39    42    43    45    58  
   38    40    68    39    42  
   36    37  
   37  
    0  
   40    41    44    47    48    50    57    62    63    64    68    69    39    42  
   42    43    45    46    49    51    58    40    68  
   41    44    47    48    50    62    68    69  
   44    47    68  
   43    45    46    49    51    52    58    53  
   45    46    49    51    58  
   47    48    50    57    73    62    68    69  
   46    49    51    52    58    53    54    55    56  
   49    51    58    53  
   48    50    57    59    70    73    74    75    62    63    64    68    69  
   50    57    73    62    68    69  
   51    52    58    53    54    55    56  
   57    59    60    61    65    70    71    72    73    74    75    76    77    78    62    63    64    68    69  
   52    58    53    54    55    56  
   58    53  
   54    55    56    58  
   55    56  
   56  
    0  
   59    60    61    65    66    67    70    73    74    75    62    63    64    68    69  
    0  
   60    61    65    66    67    70    71    72    73    62    63    64    68  
   61    65    66    67    70    62  
   65    66    67    70    62  
   63    64    68    69    65    73  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74    75  
   67    70    71    72    73  
   70    71    72    73  
   69    73  
    0  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    68   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   317.000  1.510
   47    68   268.000  1.529
   50    57   549.000  1.340
   50    73   317.000  1.510
   57    59   317.000  1.510
   57    62   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    45   317.000  1.510
   42    58   320.000  1.380
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    51   320.000  1.462
   49    53   317.000  1.510
   51    52   570.000  1.229
   51    58   214.000  1.327
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    68    65.00000  117.92700
   33    39    42    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   38    68    47    70.00000  112.02700
   38    68    62    70.00000  112.02700
   38    68    69    35.00000  109.50000
   40    44    47    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    47    48    35.00000  109.50000
   44    47    50    85.00000  110.90400
   44    47    68    50.00000  109.50000
   47    50    57    70.00000  124.00000
   47    50    73    65.00000  117.92700
   47    68    62    58.35000  112.70000
   47    68    69    37.50000  110.70000
   50    47    48    35.00000  109.50000
   50    57    59    70.00000  124.00000
   50    57    62    70.00000  124.00000
   50    73    70    70.00000  112.02700
   50    73    74    35.00000  109.50000
   50    73    75    70.00000  112.02700
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    65    70.00000  112.02700
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  112.02700
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    50    57    70.00000  124.00000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   62    57    59    65.00000  117.92700
   62    68    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    38    40    70.00000  124.00000
   68    47    48    37.50000  110.70000
   68    47    50    70.00000  112.02700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    42    43    35.00000  109.50000
   39    42    45    85.00000  110.90400
   39    42    58    92.60000  111.55000
   42    45    46    35.00000  117.00000
   42    45    49    70.00000  124.00000
   42    58    51    95.00000  111.08000
   45    42    43    35.00000  109.50000
   45    49    51    65.00000  118.96000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    51    52    80.00000  123.72100
   49    51    58    90.00000  111.29400
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   58    42    43    35.00000  109.50000
   58    42    45    85.00000  110.90400
   58    51    52    83.00000  123.40000
   53    49    51    65.00000  116.34900
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    68   0.30250  1.0 1.0
   29    33    38    68  -0.14950 -1.0 2.0
   29    33    38    68   0.36900  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    68    47   0.46850  1.0 1.0
   33    38    68    47   0.08550 -1.0 2.0
   33    38    68    47   0.09800  1.0 3.0
   33    38    68    62   0.46850  1.0 1.0
   33    38    68    62   0.08550 -1.0 2.0
   33    38    68    62   0.09800  1.0 3.0
   33    38    68    69   0.34800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    45  -0.77900  1.0 1.0
   33    39    42    45  -0.36900 -1.0 2.0
   33    39    42    45   0.40400  1.0 3.0
   33    39    42    58  -0.53350  1.0 1.0
   33    39    42    58  -0.78350 -1.0 2.0
   33    39    42    58   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    68   0.34800  1.0 3.0
   34    33    39    42   0.37050  1.0 3.0
   38    33    39    42  -0.77900  1.0 1.0
   38    33    39    42  -0.36900 -1.0 2.0
   38    33    39    42   0.40400  1.0 3.0
   38    40   -44    47  -2.26850  1.0 1.0
   38    40   -44    47   3.39050 -1.0 2.0
   40    38   -68    47   0.09850  1.0 1.0
   40    38   -68    47   0.15250 -1.0 2.0
   40    38   -68    47  -0.50650  1.0 3.0
   40    38    68    62   0.09850  1.0 1.0
   40    38    68    62   0.15250 -1.0 2.0
   40    38    68    62  -0.50650  1.0 3.0
   40    38    68    69   0.00000  1.0 1.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    50  -0.48150  1.0 1.0
   40    44    47    50   0.09250 -1.0 2.0
   40    44    47    50  -0.12850  1.0 3.0
   40    44   -47    68  -0.46850  1.0 1.0
   40    44   -47    68   0.09300 -1.0 2.0
   40    44   -47    68  -0.12850  1.0 3.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    50    57   0.39000  1.0 1.0
   44    47    50    57  -0.05800 -1.0 2.0
   44    47    50    57  -0.55150  1.0 3.0
   44    47    50    73   0.09700  1.0 1.0
   44    47    50    73   0.15600 -1.0 2.0
   44    47    50    73  -0.50800  1.0 3.0
   44    47   -68    38   0.61850  1.0 1.0
   44    47   -68    38  -0.22750 -1.0 2.0
   44    47   -68    38   0.15300  1.0 3.0
   44    47    68    62   0.62750  1.0 1.0
   44    47    68    62  -0.30950 -1.0 2.0
   44    47    68    62   0.27300  1.0 3.0
   44    47    68    69   0.23400  1.0 3.0
   47    50    57    59   7.00000 -1.0 2.0
   47    50   -57    62   7.00000 -1.0 2.0
   47    50    73    70   0.46850  1.0 1.0
   47    50    73    70   0.08550 -1.0 2.0
   47    50    73    70   0.09800  1.0 3.0
   47    50    73    74   0.34800  1.0 3.0
   47    50    73    75   0.46850  1.0 1.0
   47    50    73    75   0.08550 -1.0 2.0
   47    50    73    75   0.09800  1.0 3.0
   48    47    50    57   0.00000  1.0 1.0
   48    47    50    73   0.34800  1.0 3.0
   48    47    68    38   0.15000  1.0 3.0
   48    47    68    62   0.15000  1.0 3.0
   48    47    68    69   0.15000  1.0 3.0
   50    47    68    38   0.31000  1.0 1.0
   50    47    68    38   0.14700 -1.0 2.0
   50    47    68    38   0.07550  1.0 3.0
   50    47   -68    62   0.34400  1.0 1.0
   50    47   -68    62   0.09450 -1.0 2.0
   50    47   -68    62   0.11100  1.0 3.0
   50    47    68    69   0.15000  1.0 3.0
   50    57    59    60   0.00000  1.0 1.0
   50    57    59    61   0.00000  1.0 1.0
   50    57    59    65   0.09850  1.0 1.0
   50    57    59    65   0.15250 -1.0 2.0
   50    57    59    65  -0.50650  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    64   0.00000  1.0 1.0
   50    57   -62    68   0.09850  1.0 1.0
   50    57   -62    68   0.15250 -1.0 2.0
   50    57   -62    68  -0.50650  1.0 3.0
   50    73    75    76   0.15000  1.0 3.0
   50    73    75    77   0.15000  1.0 3.0
   50    73    75    78   0.15000  1.0 3.0
   57    50    73    70   0.09850  1.0 1.0
   57    50    73    70   0.15250 -1.0 2.0
   57    50    73    70  -0.50650  1.0 3.0
   57    50    73    74   0.00000  1.0 1.0
   57    50    73    75   0.09850  1.0 1.0
   57    50    73    75   0.15250 -1.0 2.0
   57    50    73    75  -0.50650  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    67   0.15000  1.0 3.0
   57    59   -65    70   0.34400  1.0 1.0
   57    59   -65    70   0.09450 -1.0 2.0
   57    59   -65    70   0.11100  1.0 3.0
   57    62    68    38   0.31000  1.0 1.0
   57    62    68    38   0.14700 -1.0 2.0
   57    62    68    38   0.07550  1.0 3.0
   57    62   -68    47   0.34400  1.0 1.0
   57    62   -68    47   0.09450 -1.0 2.0
   57    62   -68    47   0.11100  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   59    57    62    63   0.34800  1.0 3.0
   59    57    62    64   0.34800  1.0 3.0
   59    57    62    68   0.46850  1.0 1.0
   59    57    62    68   0.08550 -1.0 2.0
   59    57    62    68   0.09800  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.56750  1.0 1.0
   59    65    70    73  -0.07550 -1.0 2.0
   59    65    70    73   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   65    70   -73    50   0.34400  1.0 1.0
   65    70   -73    50   0.09450 -1.0 2.0
   65    70   -73    50   0.11100  1.0 3.0
   65    70    73    74   0.15000  1.0 3.0
   65    70    73    75   0.56750  1.0 1.0
   65    70    73    75  -0.07550 -1.0 2.0
   65    70    73    75   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  1.0 3.0
   70    73    75    76   0.15000  1.0 3.0
   70    73    75    77   0.15000  1.0 3.0
   70    73    75    78   0.15000  1.0 3.0
   71    70    73    50   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   72    70    73    50   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   73    50   -57    59   7.00000 -1.0 2.0
   73    50    57    62   7.00000 -1.0 2.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   62    57    59    60   0.34800  1.0 3.0
   62    57    59    61   0.34800  1.0 3.0
   62    57    59    65   0.46850  1.0 1.0
   62    57    59    65   0.08550 -1.0 2.0
   62    57    59    65   0.09800  1.0 3.0
   63    62    68    38   0.15000  1.0 3.0
   63    62    68    47   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   64    62    68    38   0.15000  1.0 3.0
   64    62    68    47   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   68    38    40    41   7.00000 -1.0 2.0
   68    38   -40    44   7.00000 -1.0 2.0
   68    47   -50    57   0.09850  1.0 1.0
   68    47   -50    57   0.15250 -1.0 2.0
   68    47   -50    57  -0.50650  1.0 3.0
   68    47    50    73   0.46850  1.0 1.0
   68    47    50    73   0.08550 -1.0 2.0
   68    47    50    73   0.09800  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    68   0.09700  1.0 1.0
   39    33    38    68   0.15600 -1.0 2.0
   39    33    38    68  -0.50800  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.39000  1.0 1.0
   39    42    45    49  -0.05800 -1.0 2.0
   39    42    45    49  -0.55150  1.0 3.0
   39    42    58    51  -1.83450  1.0 1.0
   39    42    58    51  -0.02700 -1.0 2.0
   39    42    58    51  -0.20100  1.0 3.0
   42    45   -49    51   7.00000 -1.0 2.0
   42    45    49    53   7.00000 -1.0 2.0
   43    42    45    46   0.33100  1.0 3.0
   43    42    45    49   0.00000  1.0 1.0
   43    42    58    51   0.08050  1.0 3.0
   45    42   -58    51  -0.82050  1.0 1.0
   45    42   -58    51   0.00600 -1.0 2.0
   45    42   -58    51   0.04400  1.0 3.0
   45    49    51    52   1.00000 -1.0 2.0
   45    49   -51    58  -0.56150  1.0 1.0
   45    49   -51    58   2.19150 -1.0 2.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    51   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    51   -58    42   2.00000 -1.0 2.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   52    51    58    42   3.00000 -1.0 2.0
   58    42    45    46   0.00000  1.0 1.0
   58    42   -45    49   0.39000  1.0 1.0
   58    42   -45    49  -0.05800 -1.0 2.0
   58    42   -45    49  -0.55150  1.0 3.0
   53    49    51    52  -0.64400  1.0 1.0
   53    49    51    52   0.26850 -1.0 2.0
   53    49    51    58  -0.15000  1.0 1.0
   53    49    51    58   0.89550 -1.0 2.0
   53    49    51    58  -0.06900  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    68    38    40   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   47    73    50    57   1.10000 -1.0 2.0
   59    62    57    50   1.10000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   51    53    49    45   1.10000 -1.0 2.0
   49    58    51    52  10.50000 -1.0 2.0
END
