* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    151    229     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059    56.57234    86.44759
    3     1 S   H    _H1_     3     1.02150    55.49503  -116.86561
    4     1 S   H    _H2_     4     1.02094   106.66168   -15.31119
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C23    36     1.87782    99.71451  -160.02365
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C24    37     1.53522   105.22558   179.97202
   38    33 S   OH   _O36    45     1.42999   107.57671   -61.15215
   39    38 S   HO   _H27    46     0.97020   107.11014    65.19580
   40    33 S   OS   _O35    47     1.44050   108.64974    61.11521
   41    37 S   CM   _C25    38     1.34473   122.93671    86.20415
   42    41 S   HC   _H22    39     1.08414   122.15097    -0.65492
   43    41 S   HC   _H23    40     1.08518   121.31571   179.59944
   44    37 S   CT   _C26    41     1.51005   117.62748   -94.38468
   45    44 S   HC   _H24    42     1.09340   111.06272   -89.35401
   46    44 S   HC   _H25    43     1.09405   110.67399   149.96408
   47    44 S   HC   _H26    44     1.09628   111.96427    30.34896
   48    40 S   CA   _C20    48     1.36746   121.65740  -154.79472
   49    48 S   CA   _C19    49     1.39507   119.96039   149.96820
   50    49 S   HA   _H19    50     1.08682   120.35341    -0.01978
   51    49 S   CA   _C18    51     1.39428   119.97233   179.93439
   52    51 S   HA   _H18    52     1.08698   119.46397  -179.96574
   53    51 S   CA   _C17    53     1.39464   120.07369     0.00000
   54    53 S   CA   _C22    54     1.39533   119.91824     0.04846
   55    54 S   HA   _H21    55     1.08730   120.45727  -179.98022
   56    53 S   CT   _C14    58     1.49055   120.07875  -179.97202
   57    48 S   CA   _C21    56     1.39417   120.02254   -30.06919
   58    57 S   HA   _H20    57     1.08685   120.40508     0.02798
   59    56 S   CA   _C11    59     1.57959   112.52372   -59.98492
   60    56 S   CT   _C15    80     1.57296   109.42603    63.77119
   61    60 S   HC   _H12    81     1.09689   113.94591    55.28176
   62    60 S   HC   _H13    82     1.09572   111.37072   177.25805
   63    60 S   HC   _H14    83     1.09742   109.63121   -64.64777
   64    56 S   CT   _C16    84     1.57974   115.47069   179.89347
   65    64 S   HC   _H15    85     1.09706   113.06532   -55.69187
   66    64 S   HC   _H16    86     1.09687   110.65024    64.47882
   67    64 S   HC   _H17    87     1.09553   111.18636  -175.92321
   68    59 S   CA   _C10    60     1.39539   120.00607   119.98452
   69    68 S   HA   _H9_    61     1.08758   120.44847    -0.01978
   70    68 S   CA   _C9_    62     1.39473   120.03629  -179.95154
   71    70 S   HA   _H8_    63     1.08690   119.67110   179.98022
   72    70 S   CA   _C8_    64     1.39529   119.95486    -0.00000
   73    72 S   CA   _C13    65     1.39458   120.03137    -0.02798
   74    73 S   HA   _H11    66     1.08584   120.34945   179.97202
   75    72 S   OS   _O34    69     1.36112   119.96264   179.94405
   76    59 S   CA   _C12    67     1.39437   120.02898   -59.97995
   77    76 S   HA   _H10    68     1.08692   120.52685    -0.03426
   78    75 S   CO4  _C7_    70     1.39962   114.54607   -89.98997
   79    78 S   O    _O33    71     1.22522   124.94779     0.03956
   80    78 S   CM   _C5_    72     1.49290   112.44435   180.00000
   81    80 S   CM   _C6_    73     1.34043   122.11474     0.02798
   82    81 S   HC   _H6_    74     1.08462   123.28908   179.93744
   83    81 S   HC   _H7_    75     1.08628   120.65824     0.00000
   84    80 S   CT   _C4_    76     1.50025   116.03914  -179.98022
   85    84 S   HC   _H3_    77     1.09490   110.45229   -90.01230
   86    84 S   HC   _H4_    78     1.09527   110.43374   149.91730
   87    84 S   HC   _H5_    79     1.09488   112.10650    30.03017
  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   8   5   4   3
  14   2   1   1  11   5   1   9   6   2   1   3   2   1   1   9
   8   4   9   3  16   7   3  16   1   1  17   9   3   2   1   5
   2   1   1   8   4   7   3   8   5   3   6   1   1   9   3   7
   6   2   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    44    38    39    40    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    43    44    45    46    47    38    39    40    48    49    57  
   35    36  
   36  
    0  
   41    42    43    44    45    46    47    38    39    40    48  
   39    40    48    41    44  
   40  
   48    49    50    51    54    57    58    41    44  
   42    43    44    45    46    47  
   43    44  
   44  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    57    58  
   50    51    52    53    54    57    58    56  
   51    52    53    57  
   52    53    54    55    57    56    59    60    64  
   53    54    56  
   54    55    57    58    56    59    68    76    60    61    62    63    64    65    66    67  
   55    57    58    56    59    60    64  
   57    58    56  
   59    68    69    70    73    76    77    60    61    62    63    64    65    66    67    57  
   58  
    0  
   68    69    70    71    72    73    74    76    77    60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67    68    76  
   62    63    64  
   63    64  
   64  
   65    66    67    68    76  
   66    67  
   67  
    0  
   69    70    71    72    73    76    77    75  
   70    71    72    76  
   71    72    73    74    76    75    78  
   72    73    75  
   73    74    76    77    75    78    79    80  
   74    76    77    75    78  
   76    77    75  
   78    79    80    81    84    76  
   77  
    0  
   79    80    81    82    83    84    85    86    87  
   80    81    84  
   81    82    83    84    85    86    87  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   380.000  1.407
   33    40   320.000  1.380
   37    41   549.000  1.340
   37    44   317.000  1.510
   41    42   340.000  1.080
   41    43   340.000  1.080
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   38    39   553.000  0.945
   40    48   450.000  1.364
   48    49   469.000  1.400
   48    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   56    59   317.000  1.510
   56    60   268.000  1.529
   56    64   268.000  1.529
   59    68   469.000  1.400
   59    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    76   469.000  1.400
   76    77   367.000  1.080
   75    78   214.000  1.327
   78    79   570.000  1.229
   78    80   320.000  1.462
   80    81   549.000  1.340
   80    84   317.000  1.510
   81    82   340.000  1.080
   81    83   340.000  1.080
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    85.00000  114.68000
   29    33    40    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    38    39    70.00000  107.92000
   33    40    48   100.00000  112.36700
   37    41    42    35.00000  120.00000
   37    41    43    35.00000  120.00000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   43    41    42    35.00000  117.00000
   44    37    41    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   38    33    37    90.00000  110.39200
   40    33    37    85.00000  110.90400
   40    33    38   110.00000  112.08000
   40    48    49    70.00000  120.00000
   40    48    57    70.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    57    54    63.00000  120.00000
   48    57    58    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    70.00000  112.04700
   53    56    60    70.00000  112.17500
   53    56    64    70.00000  112.17500
   54    57    58    35.00000  120.00000
   57    48    49    63.00000  120.00000
   57    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    68    70.00000  120.00000
   56    59    76    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   59    68    69    35.00000  120.00000
   59    68    70    63.00000  120.00000
   59    76    73    63.00000  120.00000
   59    76    77    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    76    63.00000  120.00000
   72    75    78    85.00000  115.98000
   73    76    77    35.00000  120.00000
   76    59    68    63.00000  120.00000
   76    73    74    35.00000  120.00000
   75    72    73    70.00000  120.00000
   75    78    79    83.00000  123.40000
   75    78    80    90.00000  111.29400
   78    80    81    65.00000  118.96000
   78    80    84    65.00000  116.34900
   80    78    79    80.00000  123.72100
   80    81    82    35.00000  120.00000
   80    81    83    35.00000  120.00000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   83    81    82    35.00000  117.00000
   84    80    81    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   60    56    59    70.00000  112.17500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    59    70.00000  112.17500
   64    56    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    48   0.14700  1.0 1.0
   29    33    40    48  -1.16150 -1.0 2.0
   29    33    40    48   0.48700  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   33    40    48    49   1.63200 -1.0 2.0
   33    40    48    57   1.63200 -1.0 2.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    33    40    48  -0.25600  1.0 1.0
   37    33    40    48  -0.40050 -1.0 2.0
   37    33    40    48   0.34700  1.0 3.0
   41    37    44    45   0.00000  1.0 1.0
   41    37    44    46   0.00000  1.0 1.0
   41    37    44    47   0.00000  1.0 1.0
   44    37    41    42   7.00000 -1.0 2.0
   44    37    41    43   7.00000 -1.0 2.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    37    44   0.18000  1.0 1.0
   38    33    37    44   0.16450 -1.0 2.0
   38    33    37    44   0.04450  1.0 3.0
   38    33    40    48  -0.25600  1.0 1.0
   38    33    40    48  -0.40050 -1.0 2.0
   38    33    40    48   0.34700  1.0 3.0
   40    33    37    41   0.39000  1.0 1.0
   40    33    37    41  -0.05800 -1.0 2.0
   40    33    37    41  -0.55150  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    39  -0.50000  1.0 1.0
   40    33    38    39  -0.73950 -1.0 2.0
   40    33    38    39   0.17150  1.0 3.0
   40    48    49    50   3.62500 -1.0 2.0
   40    48    49    51   3.62500 -1.0 2.0
   40    48    57    54   3.62500 -1.0 2.0
   40    48    57    58   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    57    54   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    56    59   0.04300 -1.0 2.0
   51    53    56    60   0.04150 -1.0 2.0
   51    53    56    64   0.04150 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -57    48   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    56    59    68   0.04300 -1.0 2.0
   53    56    59    76   0.04300 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56    60    63   0.43200  1.0 3.0
   53    56    64    65   0.43200  1.0 3.0
   53    56    64    66   0.43200  1.0 3.0
   53    56    64    67   0.43200  1.0 3.0
   54    53    56    59   0.04300 -1.0 2.0
   54    53    56    60   0.04150 -1.0 2.0
   54    53    56    64   0.04150 -1.0 2.0
   55    54    57    48   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    68    69   3.62500 -1.0 2.0
   56    59    68    70   3.62500 -1.0 2.0
   56    59    76    73   3.62500 -1.0 2.0
   56    59    76    77   3.62500 -1.0 2.0
   59    56    60    61   0.43200  1.0 3.0
   59    56    60    62   0.43200  1.0 3.0
   59    56    60    63   0.43200  1.0 3.0
   59    56    64    65   0.43200  1.0 3.0
   59    56    64    66   0.43200  1.0 3.0
   59    56    64    67   0.43200  1.0 3.0
   59    68    70    71   3.62500 -1.0 2.0
   59    68    70    72   3.62500 -1.0 2.0
   68    59    76    73   3.62500 -1.0 2.0
   68    59    76    77   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    75   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    75    78   0.01300  1.0 1.0
   70    72    75    78   0.97950 -1.0 2.0
   70    72    75    78  -0.55700  1.0 3.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73   -76    59   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    75    78    79   3.00000 -1.0 2.0
   72    75    78    80   2.00000 -1.0 2.0
   73    72    75    78   0.01300  1.0 1.0
   73    72    75    78   0.97950 -1.0 2.0
   73    72    75    78  -0.55700  1.0 3.0
   74    73    76    59   3.62500 -1.0 2.0
   74    73    76    77   3.62500 -1.0 2.0
   76    59    68    69   3.62500 -1.0 2.0
   76    59   -68    70   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    76   3.62500 -1.0 2.0
   75    78    80    81  -0.56150  1.0 1.0
   75    78    80    81   2.19150 -1.0 2.0
   75    78    80    84  -0.15000  1.0 1.0
   75    78    80    84   0.89550 -1.0 2.0
   75    78    80    84  -0.06900  1.0 3.0
   78    80    81    82   7.00000 -1.0 2.0
   78    80    81    83   7.00000 -1.0 2.0
   78    80    84    85   0.15000  1.0 3.0
   78    80    84    86   0.15000  1.0 3.0
   78    80    84    87   0.15000  1.0 3.0
   79    78    80    81   1.00000 -1.0 2.0
   79    78    80    84  -0.64400  1.0 1.0
   79    78    80    84   0.26850 -1.0 2.0
   81    80    84    85   0.00000  1.0 1.0
   81    80    84    86   0.00000  1.0 1.0
   81    80    84    87   0.00000  1.0 1.0
   84    80    81    82   7.00000 -1.0 2.0
   84    80    81    83   7.00000 -1.0 2.0
   60    56    59    68   0.04150 -1.0 2.0
   60    56    59    76   0.04150 -1.0 2.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    67   0.15000  1.0 3.0
   64    56    59    68   0.04150 -1.0 2.0
   64    56    59    76   0.04150 -1.0 2.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    41  15.00000 -1.0 2.0
   42    43    41    37  15.00000 -1.0 2.0
   49    57    48    40   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    58    57    48   1.10000 -1.0 2.0
   68    76    59    56   4.00000 -1.0 2.0
   70    69    68    59   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   76    74    73    72   1.10000 -1.0 2.0
   73    77    76    59   1.10000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   78    84    80    81  15.00000 -1.0 2.0
   82    83    81    80  15.00000 -1.0 2.0
END
