* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    233     452
    1     0 S   NP   _N1_     1    28.79317    96.07379   -23.20525
    2     1 S   H    _HN1     2     1.02792   104.74136  -103.30086
    3     1 S   H    _H1_     3     1.02947    74.53930     2.08403
    4     1 S   H    _H2_     4     1.02826    35.91806   156.43896
    5     1 S   CT   _CA1     5     1.50105   138.01011   105.61547
    6     5 S   HC   _HA1     6     1.09571   105.19936    88.28398
    7     5 S   CO3  _C1_     7     1.53787   112.48183   -32.01711
    8     7 S   O2Z  _O11     8     1.26378   115.00644   -42.49338
    9     7 S   O2Z  _O12     9     1.26237   114.95405   136.66638
   10     5 S   CT   _CB1    10     1.53060   107.42524  -153.67385
   11    10 S   HC   HB11    11     1.09838   109.41933   -49.19425
   12    10 S   HC   HB12    12     1.09816   110.44999    67.42968
   13    10 S   CT   _CG1    13     1.53000   112.57951  -170.12014
   14    13 S   HC   HG11    14     1.09573   110.71035   -65.74939
   15    13 S   HC   HG12    15     1.09669   109.73850    53.52064
   16    13 S   C    _CD1    16     1.51762   112.06330   174.04932
   17    16 S   O    _OE1    17     1.22691   123.12613    10.19578
   18    16 S   N    _N2_    18     1.38546   111.75302  -170.11483
   19    18 S   H    _HN2    19     1.01564   118.89819     1.67713
   20    18 S   CT1  _CA2    20     1.46275   123.56717   177.01279
   21    20 S   HC   _HA2    21     1.09566   109.39023     2.56903
   22    20 S   C    _C2_    22     1.53555   107.95554  -112.80457
   23    22 S   O    _O2_    23     1.23029   122.35137  -144.19119
   24    20 S   CT   _CB2    32     1.53339   111.40606   125.31708
   25    24 S   HC   HB21    33     1.09655   109.63678    58.48627
   26    24 S   HC   HB22    34     1.09504   111.25065   176.03711
   27    22 S   N    _N3_    24     1.38364   113.49435    42.28591
   28    27 S   H    _HN3    25     1.01544   119.43555    -0.16193
   29    24 S   S    _SG2    35     1.82918   113.39040   -60.64013
   30    27 S   CT   _CA3    26     1.45310   123.57465   178.10029
   31    30 S   HC   HA31    27     1.09508   107.19898   -79.95921
   32    30 S   HC   HA32    28     1.09548   108.61810    36.74114
   33    29 S   CT   _C14    36     1.83054   100.07532   -77.81286
   34    33 S   HC   _H4_    37     1.09094   109.61213    38.93785
   35    30 S   CO3  _C3_    29     1.53049   113.89481   159.23078
   36    35 S   O2Z  _O31    30     1.26408   116.16257     6.40643
   37    35 S   O2Z  _O32    31     1.26473   114.44797  -173.22885
   38    33 S   CM   _C15    38     1.49438   109.70338   -83.27660
   39    38 S   HC   _H19    39     1.08304   122.70945    73.17907
   40    38 S   CMA  _C16    40     1.34206   113.71110  -107.19935
   41    40 S   OM   _O33    41     1.25613   133.77989  -179.41017
   42    40 S   CM   _C12    42     1.47364   109.09574    -0.12972
   43    33 S   CT   _C13    43     1.54667   111.64542   163.39257
   44    43 S   HC   _H3_    44     1.09787   111.12751   -19.32423
   45    42 S   CM   _C11    64     1.34925   127.39085   165.85094
   46    45 S   HC   _H18    65     1.08872   119.07879     1.38734
   47    43 S   CT   _C17    45     1.54934   111.69013  -141.05237
   48    47 S   HC   _H20    46     1.09513   109.74231   -54.99854
   49    47 S   HC   _H21    47     1.09696   109.79233  -171.25832
   50    45 S   CM   _C10    66     1.44803   125.87119  -178.13743
   51    50 S   HC   _H17    67     1.08556   118.05291     1.05592
   52    47 S   CM   _C18    48     1.50440   112.11052    69.76185
   53    52 S   HC   _H22    49     1.08918   115.43592    54.41681
   54    50 S   CM   _C9_    68     1.34179   123.01167  -178.64679
   55    54 S   HC   _H16    69     1.08783   120.00017    -0.34662
   56    52 S   CM   _C19    50     1.34208   127.56660  -125.10075
   57    56 S   HC   _H23    51     1.08906   116.99230   179.16678
   58    54 S   CT   _C8_    70     1.50211   123.57340   180.00000
   59    58 S   HC   _H14    71     1.09678   107.90010   121.99609
   60    58 S   HC   _H15    72     1.09689   111.07625     5.67879
   61    56 S   CT   _C20    52     1.50156   127.68725    -1.81359
   62    61 S   HC   _H24    53     1.09720   108.20243  -134.73173
   63    61 S   HC   _H25    54     1.09479   111.04065   -19.48036
   64    58 S   CT   _C7_    73     1.53185   112.92091  -117.80567
   65    64 S   HC   _H12    74     1.09717   108.26693  -172.27173
   66    64 S   HC   _H13    75     1.09732   109.86973   -56.08071
   67    61 S   CT   _C21    55     1.53190   113.59112   103.45370
   68    67 S   HC   _H26    56     1.09646   109.75580   -59.98388
   69    67 S   HC   _H27    57     1.09754   108.10465  -175.49085
   70    64 S   CT   _C6_    76     1.53202   113.01173    66.78303
   71    70 S   HC   _H10    77     1.09623   110.09121   -62.02312
   72    70 S   HC   _H11    78     1.09683   109.53719    55.59641
   73    67 S   CT   _C22    58     1.52715   113.62047    63.35863
   74    73 S   HC   _H28    59     1.09707   109.35465    53.17990
   75    73 S   HC   _H29    60     1.09589   110.21928   -64.73446
   76    70 S   CT   _C5_    79     1.52901   111.23470   176.82269
   77    76 S   HC   _H8_    80     1.09622   109.85143    58.82634
   78    76 S   HC   _H9_    81     1.09620   109.88630   -58.92528
   79    73 S   CO3  _C23    61     1.53218   114.71257   174.53700
   80    79 S   O2Z  _O35    62     1.26498   114.04872  -167.77847
   81    79 S   O2Z  _O34    63     1.26137   116.61026    12.34959
   82    76 S   CT   _C4_    82     1.52043   111.47601   179.95577
   83    82 S   HC   _H5_    83     1.09469   110.99822    60.23623
   84    82 S   HC   _H6_    84     1.09469   111.00278   -60.27780
   85    82 S   HC   _H7_    85     1.09449   110.26209   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1   8   4   8   3  11  10   5   7   3   7   4
   3   7   3   7   3   8   4   8   4   9   5   4   9   5   4   9
   5   4   8   5   4   9   5   4   5   4   3   6   5   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    52    45  
   38    39    40    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    45  
   40    41    42    43  
   41    42    43    44    47    45    46    50  
   42    43    45  
   43    44    47    48    49    52    45    46    50    51    54  
   44    47    48    49    52    53    56    45    46    50  
   47    48    49    52    45  
   46    50    51    54    55    58    47  
   50    51    54  
   48    49    52    53    56    57    61  
   49    52    53    56  
   52    53    56  
   51    54    55    58    59    60    64  
   54    55    58  
   53    56    57    61    62    63    67  
   56    57    61  
   55    58    59    60    64    65    66    70  
   58    59    60    64  
   57    61    62    63    67    68    69    73  
   61    62    63    67  
   59    60    64    65    66    70    71    72    76  
   60    64    65    66    70  
   64    65    66    70  
   62    63    67    68    69    73    74    75    79  
   63    67    68    69    73  
   67    68    69    73  
   65    66    70    71    72    76    77    78    82  
   66    70    71    72    76  
   70    71    72    76  
   68    69    73    74    75    79    80    81  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    85  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78    82    83    84    85  
   78    82    83    84    85  
   82    83    84    85  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   317.000  1.510
   42    45   549.000  1.340
   43    44   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.522
   79    80   656.000  1.250
   79    81   656.000  1.250
   45    46   340.000  1.080
   45    50   380.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    70.00000  112.02700
   33    43    44    37.50000  110.70000
   33    43    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  124.00000
   40    42    45    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  109.50000
   42    43    47    70.00000  112.02700
   42    45    46    35.00000  120.00000
   42    45    50    70.00000  123.01800
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    70.00000  112.02700
   47    43    44    37.50000  110.70000
   47    52    53    35.00000  117.00000
   47    52    56    70.00000  124.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    61    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    70.00000  112.02700
   61    56    57    35.00000  117.00000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    70.00000  109.69300
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    70.00000  117.00000
   73    79    81    70.00000  117.00000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    79    80    80.00000  126.00000
   45    42    43    70.00000  124.00000
   45    50    51    35.00000  120.00000
   45    50    54    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    64    70.00000  112.02700
   58    54    55    35.00000  117.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.56750  1.0 1.0
   29    33    43    42  -0.07550 -1.0 2.0
   29    33    43    42   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    52   0.34400  1.0 1.0
   33    43    47    52   0.09450 -1.0 2.0
   33    43    47    52   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    47   0.15000  1.0 3.0
   38    33   -43    42   0.31000  1.0 1.0
   38    33   -43    42   0.14700 -1.0 2.0
   38    33   -43    42   0.07550  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    47   0.34400  1.0 1.0
   38    33    43    47   0.09450 -1.0 2.0
   38    33    43    47   0.11100  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.09850  1.0 1.0
   40    42   -43    33   0.15250 -1.0 2.0
   40    42   -43    33  -0.50650  1.0 3.0
   40    42    43    44   0.00000  1.0 1.0
   40    42    43    47   0.09850  1.0 1.0
   40    42    43    47   0.15250 -1.0 2.0
   40    42    43    47  -0.50650  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    50   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43    47    48   0.15000  1.0 3.0
   42    43    47    49   0.15000  1.0 3.0
   42    43    47    52   0.31000  1.0 1.0
   42    43    47    52   0.14700 -1.0 2.0
   42    43    47    52   0.07550  1.0 3.0
   42    45    50    51  -0.18600  1.0 3.0
   42    45    50    54   0.28850  1.0 1.0
   42    45    50    54   2.61350 -1.0 2.0
   42    45    50    54   0.78400  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    46   7.00000 -1.0 2.0
   43    42    45    50   7.00000 -1.0 2.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    56   0.09850  1.0 1.0
   43    47    52    56   0.15250 -1.0 2.0
   43    47    52    56  -0.50650  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    61   7.00000 -1.0 2.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    56   0.00000  1.0 1.0
   49    47    52    53   0.33100  1.0 3.0
   49    47    52    56   0.00000  1.0 1.0
   52    56    61    62   0.00000  1.0 1.0
   52    56    61    63   0.00000  1.0 1.0
   52    56    61    67   0.09850  1.0 1.0
   52    56    61    67   0.15250 -1.0 2.0
   52    56    61    67  -0.50650  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    61   7.00000 -1.0 2.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    69   0.15000  1.0 3.0
   56    61    67    73   0.34400  1.0 1.0
   56    61    67    73   0.09450 -1.0 2.0
   56    61    67    73   0.11100  1.0 3.0
   57    56    61    62   0.33100  1.0 3.0
   57    56    61    63   0.33100  1.0 3.0
   57    56    61    67   0.00000  1.0 1.0
   61    67    73    74   0.15000  1.0 3.0
   61    67    73    75   0.15000  1.0 3.0
   61    67    73    79  -1.63150  1.0 1.0
   61    67    73    79  -0.43550 -1.0 2.0
   61    67    73    79   0.24500  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    73   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    73   0.15000  1.0 3.0
   67    73    79    80   0.41150 -1.0 2.0
   67    73    79    81   0.41150 -1.0 2.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79  -0.11250  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79  -0.11250  1.0 3.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
   45    42    43    33   0.09850  1.0 1.0
   45    42    43    33   0.15250 -1.0 2.0
   45    42    43    33  -0.50650  1.0 3.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    47   0.09850  1.0 1.0
   45    42    43    47   0.15250 -1.0 2.0
   45    42    43    47  -0.50650  1.0 3.0
   45    50    54    55   7.00000 -1.0 2.0
   45    50    54    58   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54  -0.18600  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    64   0.09850  1.0 1.0
   50    54    58    64   0.15250 -1.0 2.0
   50    54    58    64  -0.50650  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58    64    70   0.34400  1.0 1.0
   54    58    64    70   0.09450 -1.0 2.0
   54    58    64    70   0.11100  1.0 3.0
   55    54    58    59   0.33100  1.0 3.0
   55    54    58    60   0.33100  1.0 3.0
   55    54    58    64   0.00000  1.0 1.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    72   0.15000  1.0 3.0
   58    64    70    76   0.56750  1.0 1.0
   58    64    70    76  -0.07550 -1.0 2.0
   58    64    70    76   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    70   0.15000  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    82   0.56750  1.0 1.0
   64    70    76    82  -0.07550 -1.0 2.0
   64    70    76    82   0.20000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    85   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    45   1.10000 -1.0 2.0
   47    53    52    56  15.00000 -1.0 2.0
   61    57    56    52  15.00000 -1.0 2.0
   80    73    79    81  10.50000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
END
