* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    159    253     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039    40.03318   119.14452
    3     1 S   H    _H1_     3     1.02167    74.01710   -91.80649
    4     1 S   H    _H2_     4     1.02055   102.17488    14.38387
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.83173    99.50542   -79.97934
   34    33 S   HC   _H7_    37     1.09405   108.00320    59.95291
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C6_    38     1.55292   114.68132  -178.76822
   39    38 S   HC   _H3_    39     1.09820   105.63588    53.33188
   40    33 S   OH   _O36    86     1.42972   110.87790   -55.98543
   41    40 S   HO   _H27    87     0.97049   107.19944   -66.54640
   42    38 S   CO4  _C5_    40     1.53000   109.29097   -60.92914
   43    42 S   O    _O34    41     1.22431   124.69789    -6.29977
   44    38 S   CT   _C7_    47     1.56598   115.99630   172.79241
   45    44 S   HC   _H4_    48     1.10072   107.02154   165.44565
   46    42 S   OS   _O33    42     1.36549   109.72251   174.15424
   47    44 S   CT   _C8_    49     1.55429   113.32778   -80.19446
   48    47 S   HC   _H11    50     1.09585   109.77685  -179.50228
   49    47 S   HC   _H12    51     1.09800   108.73832    66.33043
   50    44 S   CT   _C20    76     1.56858   115.08497    47.74734
   51    50 S   HC   _H6_    77     1.09865   108.59167   -61.02203
   52    46 S   CT   _C4_    43     1.43116   115.49877   179.53061
   53    52 S   HC   _H8_    44     1.09294   109.51001   179.93147
   54    52 S   HC   _H9_    45     1.09265   109.48594    59.23409
   55    52 S   HC   _H10    46     1.09136   109.02513   -60.42672
   56    47 S   CT   _C9_    52     1.52501   116.02516   -56.00343
   57    56 S   HC   _H5_    53     1.09660   109.26790    55.18670
   58    50 S   CM   _C21    78     1.50900   112.75076    58.15511
   59    58 S   HC   _H23    79     1.08574   118.59811    59.20354
   60    50 S   CO4  _C23    83     1.52538   113.71699  -177.27121
   61    60 S   O    _O35    84     1.22763   125.23201   -91.57012
   62    60 S   HC   _H26    85     1.10287   115.36767    86.21463
   63    56 S   C5A  _C10    54     1.49327   112.83037   175.83628
   64    58 S   CM   _C22    80     1.33890   123.76706  -119.72574
   65    64 S   HC   _H24    81     1.08497   120.38599   179.49915
   66    64 S   HC   _H25    82     1.08431   121.60812    -0.61548
   67    63 S   C5B  _C11    55     1.46509   123.55577   139.50593
   68    63 S   NA   _N4_    66     1.28919   125.54256   -45.01708
   69    68 S   H    _H17    67     1.01752   127.87948     2.30639
   70    67 S   C56B _C12    56     1.44123   105.56470   177.12840
   71    67 S   CT   _C18    68     1.46921   121.20028    -3.45207
   72    71 S   HC   _H18    69     1.09528   110.89002   137.06027
   73    71 S   HC   _H19    70     1.09648   109.21376  -104.45964
   74    70 S   CA   _C13    57     1.37767   134.50057   179.48414
   75    74 S   HA   _H13    58     1.08383   121.85806    -0.04846
   76    71 S   CT   _C19    71     1.53790   109.75938    15.88701
   77    76 S   HC   _H20    72     1.09742   110.61844    76.73474
   78    76 S   HC   _H21    73     1.09672   108.52868  -166.53567
   79    74 S   CA   _C14    59     1.39926   117.34290   179.76845
   80    79 S   HA   _H14    60     1.08666   119.45352  -179.96574
   81    56 S   NT   _N5_    74     1.47727   108.53668   -64.40922
   82    81 S   H    _H22    75     1.01983   108.82485    65.20912
   83    79 S   CA   _C15    61     1.41196   121.28152     0.06256
   84    83 S   HA   _H15    62     1.08716   119.25062  -179.97202
   85    83 S   CA   _C16    63     1.39783   121.13257    -0.07133
   86    85 S   HA   _H16    64     1.08373   120.95795  -179.92867
   87    70 S   C56A _C17    65     1.40932   104.50304    -0.61038
  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
  12   6   2   1   1  17   8   3   1  10   3  17   8   4  14   6
   5  10   6   3   2   1   1  13   6   7   4   3   1   1  13   2
   1   1  15   9   3  12   9   5   4   7   4   4   3   2   6   3
   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    44    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    44    45    47    50    40    41  
   38    39    42    44    40    41  
   36    37  
   37  
    0  
   39    42    43    46    52    44    45    47    48    49    56    50    51    58    60    40    41  
   42    43    46    44    45    47    50    40  
   41    42    44  
    0  
   43    46    52    53    54    55    44    45    47    50  
   46    52    44  
   45    47    48    49    56    57    63    81    50    51    58    59    64    60    61    62    46  
   47    48    49    56    50    51    58    60  
   52    53    54    55  
   48    49    56    57    63    67    68    76    81    82    50    51    58    60  
   49    56    57    63    81    50  
   56    57    63    81    50  
   51    58    59    64    65    66    60    61    62    56  
   58    59    64    60    61    62  
   53    54    55  
   54    55  
   55  
    0  
   57    63    67    70    87    68    69    71    76    77    78    81    82  
   63    67    68    76    81    82  
   59    64    65    66    60    61    62  
   64    65    66    60  
   61    62    64  
   62  
    0  
   67    70    74    85    87    68    69    71    72    73    76    81    82  
   65    66  
   66  
    0  
   70    74    75    79    85    87    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    83    85    86    87  
   70    85    87  
   74    75    79    80    83    85    86    87    71    72    73    76  
   72    73    76    77    78    81    82    74    87  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    83    84    85    87  
   79    80    83    87  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    86    87  
   83    84    85  
   82  
    0  
   84    85    86    87  
   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  -0.335000   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   0.372500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   82   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    44   268.000  1.529
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    63   295.000  1.489
   56    81   382.000  1.448
   63    67   520.000  1.370
   63    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    87   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   382.000  1.448
   81    82   434.000  1.010
   50    51   340.000  1.090
   50    58   317.000  1.510
   50    60   317.000  1.522
   58    59   340.000  1.080
   58    64   549.000  1.340
   64    65   340.000  1.080
   64    66   340.000  1.080
   60    61   570.000  1.229
   60    62   340.000  1.090
   40    41   553.000  0.945
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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    44    58.35000  112.70000
   33    40    41    55.00000  108.50000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    46    81.00000  111.40000
   38    44    45    37.50000  110.70000
   38    44    47    58.35000  112.70000
   38    44    50    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    46    52    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    38    39    37.50000  110.70000
   44    38    42    63.00000  111.10000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    58    70.00000  112.02700
   44    50    60    63.00000  111.10000
   47    44    45    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    63    70.00000  113.44400
   47    56    81    56.20000  109.47000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    63    67    55.00000  130.44200
   56    63    68    65.00000  122.56900
   56    81    76    51.80000  107.20000
   56    81    82    35.00000  109.50000
   63    56    57    45.00000  110.47400
   63    67    70    80.00000  105.82900
   63    67    71    55.00000  127.77900
   63    68    87    90.00000  107.14200
   63    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    87    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    87    85    85.00000  122.70000
   70    87    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    83    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    83    84    35.00000  120.00000
   79    83    85    63.00000  120.00000
   83    79    80    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    85.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    68    70.00000  132.80000
   87    70    74    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    68    69    35.00000  123.10000
   68    63    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    56.20000  109.47000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    35.00000  109.50000
   78    76    77    33.00000  107.80000
   81    56    57    35.00000  109.50000
   81    56    63    75.00000  112.58000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   50    44    45    37.50000  110.70000
   50    44    47    58.35000  112.70000
   50    58    59    35.00000  117.00000
   50    58    64    70.00000  124.00000
   50    60    61    80.00000  120.40000
   50    60    62    35.00000  115.00000
   58    50    51    35.00000  109.50000
   58    64    65    35.00000  120.00000
   58    64    66    35.00000  120.00000
   64    58    59    35.00000  120.00000
   66    64    65    35.00000  117.00000
   60    50    51    35.00000  109.50000
   60    50    58    70.00000  109.06800
   62    60    61    35.00000  123.00000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    46   0.36750  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    47   0.56750  1.0 1.0
   33    38    44    47  -0.07550 -1.0 2.0
   33    38    44    47   0.20000  1.0 3.0
   33    38    44    50   0.56750  1.0 1.0
   33    38    44    50  -0.07550 -1.0 2.0
   33    38    44    50   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    40    41   0.19450  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    42    46    52   1.63150  1.0 1.0
   38    42    46    52   2.92000 -1.0 2.0
   38    44    47    48   0.15000  1.0 3.0
   38    44    47    49   0.15000  1.0 3.0
   38    44    47    56   0.56750  1.0 1.0
   38    44    47    56  -0.07550 -1.0 2.0
   38    44    47    56   0.20000  1.0 3.0
   38    44    50    51   0.15000  1.0 3.0
   38    44    50    58   0.34400  1.0 1.0
   38    44    50    58   0.09450 -1.0 2.0
   38    44    50    58   0.11100  1.0 3.0
   38    44    50    60  -0.95700  1.0 1.0
   38    44    50    60  -0.18200 -1.0 2.0
   38    44    50    60   0.29450  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    47   0.15000  1.0 3.0
   39    38    44    50   0.15000  1.0 3.0
   42    38    44    45  -0.11250  1.0 3.0
   42    38    44    47  -0.95700  1.0 1.0
   42    38    44    47  -0.18200 -1.0 2.0
   42    38    44    47   0.29450  1.0 3.0
   42    38    44    50  -0.95700  1.0 1.0
   42    38    44    50  -0.18200 -1.0 2.0
   42    38    44    50   0.29450  1.0 3.0
   42    46    52    53   0.08050  1.0 3.0
   42    46    52    54   0.08050  1.0 3.0
   42    46    52    55   0.08050  1.0 3.0
   43    42    46    52   3.00000 -1.0 2.0
   44    38    42    43   0.30150 -1.0 2.0
   44    38    42    46   0.36750  1.0 3.0
   44    47    56    57   0.15000  1.0 3.0
   44    47    56    63  -0.03700  1.0 1.0
   44    47    56    63   0.37200 -1.0 2.0
   44    47    56    63  -0.47300  1.0 3.0
   44    47    56    81   1.53400  1.0 1.0
   44    47    56    81  -0.09950 -1.0 2.0
   44    47    56    81   0.05700  1.0 3.0
   44    50    58    59   0.00000  1.0 1.0
   44    50    58    64   0.09850  1.0 1.0
   44    50    58    64   0.15250 -1.0 2.0
   44    50    58    64  -0.50650  1.0 3.0
   44    50    60    61   0.30150 -1.0 2.0
   44    50    60    62   0.74550  1.0 1.0
   44    50    60    62  -0.00500 -1.0 2.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    56   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.15000  1.0 3.0
   45    44    50    60  -0.11250  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    58   0.34400  1.0 1.0
   47    44    50    58   0.09450 -1.0 2.0
   47    44    50    58   0.11100  1.0 3.0
   47    44    50    60  -0.95700  1.0 1.0
   47    44    50    60  -0.18200 -1.0 2.0
   47    44    50    60   0.29450  1.0 3.0
   47    56    63    67   0.04150 -1.0 2.0
   47    56    63    68   0.39850  1.0 1.0
   47    56    63    68   0.06450 -1.0 2.0
   47    56    63    68   0.32400  1.0 3.0
   47    56    81    76   0.23450  1.0 1.0
   47    56    81    76   0.02050 -1.0 2.0
   47    56    81    76   0.25250  1.0 3.0
   47    56    81    82  -0.05950  1.0 1.0
   47    56    81    82   0.08850 -1.0 2.0
   47    56    81    82   0.11750  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    63   0.43200  1.0 3.0
   48    47    56    81   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    63   0.43200  1.0 3.0
   49    47    56    81   0.15000  1.0 3.0
   56    63    67    70   3.62500 -1.0 2.0
   56    63    67    71   3.62500 -1.0 2.0
   56    63    68    87   3.62500 -1.0 2.0
   56    63    68    69   2.00000 -1.0 2.0
   57    56    63    67   0.00000  1.0 1.0
   57    56    63    68   0.00000  1.0 1.0
   57    56    81    76   0.28000  1.0 3.0
   57    56    81    82   0.20000  1.0 3.0
   63    56    81    76   0.82600  1.0 1.0
   63    56    81    76  -0.32100 -1.0 2.0
   63    56    81    76   1.02000  1.0 3.0
   63    56    81    82   0.76500  1.0 1.0
   63    56    81    82   0.05700 -1.0 2.0
   63    56    81    82  -0.90900  1.0 3.0
   63    67    70    74   3.62500 -1.0 2.0
   63    67   -70    87   3.50000 -1.0 2.0
   63    67    71    72   0.00000  1.0 1.0
   63    67    71    73   0.00000  1.0 1.0
   63    67   -71    76   0.04150 -1.0 2.0
   67    63   -68    87   3.62500 -1.0 2.0
   67    63    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    87    85   3.00000 -1.0 2.0
   67    70   -87    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   0.83750  1.0 1.0
   67    71    76    81   0.32200 -1.0 2.0
   67    71    76    81   0.70600  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    83   3.62500 -1.0 2.0
   70    87   -68    63   3.62500 -1.0 2.0
   70    87    68    69   1.52500 -1.0 2.0
   74    70    87    85   3.00000 -1.0 2.0
   74    70    87    68   3.00000 -1.0 2.0
   74    79    83    84   3.62500 -1.0 2.0
   74    79   -83    85   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    83   3.62500 -1.0 2.0
   79    83    85    86   3.62500 -1.0 2.0
   79    83    85    87   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   80    79    83    85   3.62500 -1.0 2.0
   83    85   -87    70   3.62500 -1.0 2.0
   83    85    87    68   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    68    63   3.62500 -1.0 2.0
   85    87    68    69   1.52500 -1.0 2.0
   86    85    87    70   3.62500 -1.0 2.0
   86    85    87    68   3.62500 -1.0 2.0
   87    70    74    75   3.50000 -1.0 2.0
   87    70   -74    79   3.50000 -1.0 2.0
   68    63   -67    70   3.62500 -1.0 2.0
   68    63    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    87   3.62500 -1.0 2.0
   71    76   -81    56   0.23450  1.0 1.0
   71    76   -81    56   0.02050 -1.0 2.0
   71    76   -81    56   0.25250  1.0 3.0
   71    76    81    82  -0.15950  1.0 1.0
   71    76    81    82   0.34650 -1.0 2.0
   71    76    81    82   0.05750  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.15000  1.0 3.0
   77    76    81    56   0.28000  1.0 3.0
   77    76    81    82   0.20000  1.0 3.0
   78    76    81    56   0.28000  1.0 3.0
   78    76    81    82   0.20000  1.0 3.0
   81    56   -63    67   0.18550 -1.0 2.0
   81    56   -63    67   0.14000  1.0 3.0
   81    56    63    68   0.04300 -1.0 2.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    58    64    65   7.00000 -1.0 2.0
   50    58    64    66   7.00000 -1.0 2.0
   51    50    58    59   0.33100  1.0 3.0
   51    50    58    64   0.00000  1.0 1.0
   51    50    60    61   0.00000  1.0 1.0
   51    50    60    62   0.00000  1.0 1.0
   58    50    60    61   0.30150 -1.0 2.0
   58    50    60    62   0.81450  1.0 1.0
   58    50    60    62  -0.29600 -1.0 2.0
   58    50    60    62   0.60450  1.0 3.0
   59    58    64    65   7.00000 -1.0 2.0
   59    58    64    66   7.00000 -1.0 2.0
   60    50    58    59   0.00000  1.0 1.0
   60    50    58    64  -0.51250  1.0 1.0
   60    50    58    64  -0.88800 -1.0 2.0
   60    50    58    64   0.08850  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    42  -0.09450  1.0 1.0
   40    33    38    42  -1.12950 -1.0 2.0
   40    33    38    42   0.54000  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  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
   38    46    42    43  10.50000 -1.0 2.0
   67    68    63    56   4.00000 -1.0 2.0
   70    71    67    63   4.00000 -1.0 2.0
   74    87    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   83    80    79    74   1.10000 -1.0 2.0
   85    84    83    79   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   85    68    87    70   4.00000 -1.0 2.0
   69    63    68    87   1.00000 -1.0 2.0
   50    59    58    64  15.00000 -1.0 2.0
   65    66    64    58  15.00000 -1.0 2.0
   50    62    60    61  10.50000 -1.0 2.0
END
