* LIGAND DATABASE FILE (OPLS2005)
*
001      96    98    177    270     514
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   CT   _C22    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H3_    37     1.09676   107.90700  -178.66367
   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   CM   _C21    38     1.52028   108.60418   -59.96017
   39    38 S   I    I1__    39     2.09644   117.01798   -78.94226
   40    38 S   CM   _C20    40     1.34980   121.66627   103.92848
   41    40 S   CM   _C19    41     1.46078   120.99451     0.49811
   42    41 S   I    I2__    42     2.09318   121.51611  -172.11584
   43    40 S   OS   _O34    74     1.37940   123.46357   179.41116
   44    41 S   CM   _C18    43     1.34691   120.18879    10.17626
   45    44 S   HC   _H17    44     1.08815   120.81559   176.30530
   46    43 S   CT   _C23    75     1.40668   112.68166   -88.92826
   47    46 S   HC   _H18    76     1.09473   107.93898    39.96970
   48    46 S   HC   _H19    77     1.09546   108.95417   -77.88704
   49    33 S   CM   _C17    45     1.52007   108.42395    63.52645
   50    46 S   CT   _C24    78     1.51521   109.62598   159.60765
   51    50 S   HC   _H20    79     1.09371   112.12451   -56.11766
   52    50 S   HC   _H21    80     1.09331   111.76652   179.37505
   53    49 S   CMA  _C16    46     1.34312   121.95172    83.16239
   54    53 S   OM   _O35    47     1.26777   128.92577   179.01107
   55    50 S   NP   _N4_    81     1.48490   109.26670    61.56911
   56    55 S   H    _H22    82     1.03407   107.75668   -37.92950
   57    53 S   C5B  _C9_    48     1.49432   111.28820    -0.96692
   58    55 S   CT   _C25    83     1.50872   112.60387    78.76685
   59    58 S   HC   _H23    84     1.09323   107.07462   -56.49803
   60    58 S   HC   _H24    85     1.09349   107.03050    61.23280
   61    55 S   CT   _C27    90     1.50905   112.57683  -154.51577
   62    61 S   HC   _H28    91     1.09408   107.06531    58.74524
   63    61 S   HC   _H29    92     1.09298   107.08986   176.51266
   64    57 S   C56B _C10    49     1.41973   128.17442   -89.97979
   65    57 S   C5A  _C8_    60     1.37590   125.47069    89.93094
   66    58 S   CT   _C26    86     1.51295   109.21443  -177.66804
   67    66 S   HC   _H25    87     1.09424   110.24698   -61.70791
   68    66 S   HC   _H26    88     1.09507   111.14199    58.06575
   69    66 S   HC   _H27    89     1.09530   111.19827   178.54693
   70    61 S   CT   _C28    93     1.51365   109.22566   -62.37104
   71    70 S   HC   _H30    94     1.09428   110.19834   -61.71022
   72    70 S   HC   _H31    95     1.09475   111.17105    58.05177
   73    70 S   HC   _H32    96     1.09513   111.15293   178.52528
   74    64 S   CA   _C11    50     1.40613   135.68941    -0.06853
   75    74 S   HA   _H13    51     1.08624   121.29435     0.08156
   76    65 S   CT   _C7_    61     1.47166   133.50166     0.04846
   77    76 S   HC   _H11    62     1.11004   111.48337    -0.03426
   78    76 S   HC   _H12    63     1.11086   111.45398   116.18307
   79    74 S   CA   _C12    52     1.40116   118.67203  -179.96574
   80    79 S   HA   _H14    53     1.08750   119.45241  -179.94766
   81    76 S   CT   _C6_    64     1.54477   112.76046  -121.92967
   82    81 S   HC   _H9_    65     1.09749   109.21276    60.03221
   83    81 S   HC   _H10    66     1.09770   109.21353   -56.32739
   84    79 S   CA   _C13    54     1.39757   121.08009     0.01978
   85    84 S   HA   _H15    55     1.08668   119.47852   180.00000
   86    81 S   CT   _C5_    67     1.52927   112.50354  -178.15644
   87    86 S   HC   _H7_    68     1.09572   109.80417   -60.53730
   88    86 S   HC   _H8_    69     1.09590   109.86105    57.22185
   89    84 S   CA   _C14    56     1.39836   121.21360     0.04423
   90    89 S   HA   _H16    57     1.08366   121.66441   179.97202
   91    86 S   CT   _C4_    70     1.52093   111.46070   178.34981
   92    91 S   HC   _H4_    71     1.09397   110.99805   -58.46352
   93    91 S   HC   _H5_    72     1.09446   110.94755  -179.02101
   94    91 S   HC   _H6_    73     1.09427   110.25981    61.29618
   95    64 S   C56A _C15    58     1.39090   105.80858  -180.00000
   96    95 S   OA   _O33    59     1.36360   110.20680    -0.03956
  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   9   4  10   7   4   8   5   2   9   5   4
   5  12   5   4   8   3  15   8  12  10   6   5   7   5   4  11
  11   3   2   1   1   3   2   1   1   8   4  11   6   5   6   3
  10   5   4   5   3   6   5   4   3   2   3   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    49    53    54    57    43  
   38    39    40    44    49    53  
   36    37  
   37  
    0  
   39    40    41    42    44    49    53    43    46  
   40    41    49    43  
   41    42    44    45    49    43    46    47    48    50  
   42    44    45    49    53    43    46  
   44    45    49    43  
   46    47    48    50    51    52    55    44  
   45    49    53    54    57  
   49    53  
   47    48    50    51    52    55    56    58    61  
   48    50    51    52    55  
   50    51    52    55  
   53    54    57    64    65  
   51    52    55    56    58    59    60    66    61    62    63    70  
   52    55    56    58    61  
   55    56    58    61  
   54    57    64    74    95    96    65    76  
   57    64    65  
   56    58    59    60    66    67    68    69    61    62    63    70    71    72    73  
   58    59    60    66    61    62    63    70  
   64    74    75    79    89    95    96    65    76    77    78    81  
   59    60    66    67    68    69    61    62    63    70  
   60    66    67    68    69    61  
   66    67    68    69    61  
   62    63    70    71    72    73    66  
   63    70    71    72    73  
   70    71    72    73  
   74    75    79    80    84    89    90    95    96    65    76  
   76    77    78    81    82    83    86    74    89    95    96  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    84    85    89    95    96  
   79    80    84    95  
   77    78    81    82    83    86    87    88    91    95    96  
   78    81    82    83    86    96  
   81    82    83    86    96  
   80    84    85    89    90    95  
   84    85    89  
   82    83    86    87    88    91    92    93    94    96  
   83    86    87    88    91  
   86    87    88    91  
   85    89    90    95    96  
   89    90    95  
   87    88    91    92    93    94  
   88    91    92    93    94  
   91    92    93    94  
   90    95    96  
   95    96  
   92    93    94  
   93    94  
   94  
    0  
   96  
    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   0.154400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.6000  -0.154400   2.1120   1.8750   0.001000000  -0.848554734
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.154400   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.6000  -0.154400   2.1120   1.8750   0.001000000  -0.848554734
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   56   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.272700   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   96   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
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    49   317.000  1.510
   38    39   100.000  2.157
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   440.000  1.360
   41    42   100.000  2.157
   41    44   549.000  1.340
   44    45   340.000  1.080
   44    49   380.000  1.444
   49    53   465.000  1.376
   53    54   745.000  1.250
   53    57   320.000  1.460
   57    64   380.000  1.440
   57    65   520.000  1.370
   64    74   469.000  1.404
   64    95   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    84   469.000  1.400
   84    85   367.000  1.080
   84    89   469.000  1.400
   89    90   367.000  1.080
   89    95   469.000  1.400
   95    96   425.000  1.380
   96    65   340.000  1.360
   65    76   295.000  1.489
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   367.000  1.471
   55    56   434.000  1.010
   55    58   367.000  1.471
   55    61   367.000  1.471
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    49    75.00000  112.20000
   33    38    39    60.00000  117.00000
   33    38    40    70.00000  124.00000
   33    49    44    70.00000  124.00000
   33    49    53    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  120.01400
   40    38    39    60.00000  117.48000
   40    41    42    60.00000  117.48000
   40    41    44    70.00000  123.01800
   40    43    46    90.00000  111.18400
   41    44    45    35.00000  120.00000
   41    44    49    70.00000  123.01800
   44    41    42    60.00000  117.48000
   44    49    53    70.00000  117.34000
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   49    44    45    35.00000  120.00000
   49    53    54    65.00000  137.10300
   49    53    57    60.00000  123.20500
   53    57    64    65.00000  117.00000
   53    57    65    65.00000  117.00000
   57    53    54    85.00000  114.86500
   57    64    74    50.00000  134.85500
   57    64    95    80.00000  107.43600
   57    65    96    70.00000  108.00000
   57    65    76    55.00000  130.44200
   64    74    75    35.00000  120.00000
   64    74    79    63.00000  120.00000
   64    95    89    85.00000  122.70000
   64    95    96   100.00000  108.43400
   74    79    80    35.00000  120.00000
   74    79    84    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    84    85    35.00000  120.00000
   79    84    89    63.00000  120.00000
   84    79    80    35.00000  120.00000
   84    89    90    35.00000  120.00000
   84    89    95    85.00000  120.00000
   89    84    85    35.00000  120.00000
   89    95    96    70.00000  124.10000
   95    64    74    85.00000  116.20000
   95    89    90    35.00000  120.00000
   95    96    65   110.00000  105.28000
   96    65    76    80.00000  116.10000
   65    57    64    80.00000  105.82900
   65    76    77    45.00000  110.47400
   65    76    78    45.00000  110.47400
   65    76    81    70.00000  113.44400
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    91    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    91    92    37.50000  110.70000
   86    91    93    37.50000  110.70000
   86    91    94    37.50000  110.70000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   43    40    41    80.00000  120.01400
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    50    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    80.00000  111.20000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    55    56    35.00000  109.50000
   50    55    58    75.00000  113.01200
   50    55    61    75.00000  113.01200
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    66    80.00000  111.20000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    70    80.00000  111.20000
   58    55    56    35.00000  109.50000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    58    75.00000  113.01200
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    73    37.50000  110.70000
   63    61    62    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    63    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    49    44   0.42700  1.0 1.0
   29    33    49    44  -0.70350 -1.0 2.0
   29    33    49    44  -0.43150  1.0 3.0
   29    33    49    53   0.42700  1.0 1.0
   29    33    49    53  -0.70350 -1.0 2.0
   29    33    49    53  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   33    49    53    54   7.00000 -1.0 2.0
   33    49    53    57   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    44   0.00000  1.0 1.0
   34    33    49    53   0.00000  1.0 1.0
   38    33    49    44  -0.28300  1.0 1.0
   38    33    49    44   0.26700 -1.0 2.0
   38    33    49    44  -0.63300  1.0 3.0
   38    33    49    53  -0.28300  1.0 1.0
   38    33    49    53   0.26700 -1.0 2.0
   38    33    49    53  -0.63300  1.0 3.0
   38    40    41    42  -0.18600  1.0 3.0
   38    40   -41    44   0.28850  1.0 1.0
   38    40   -41    44   2.61350 -1.0 2.0
   38    40   -41    44   0.78400  1.0 3.0
   38    40    43    46  -2.26850  1.0 1.0
   38    40    43    46   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   40    41    44    45   7.00000 -1.0 2.0
   40    41    44    49   7.00000 -1.0 2.0
   40    43    46    47   0.08050  1.0 3.0
   40    43    46    48   0.08050  1.0 3.0
   40    43    46    50  -0.46850  1.0 1.0
   40    43    46    50   0.09300 -1.0 2.0
   40    43    46    50  -0.12850  1.0 3.0
   41    40    43    46  -2.26850  1.0 1.0
   41    40    43    46   3.39050 -1.0 2.0
   41    44   -49    33  -0.18600  1.0 3.0
   41    44    49    53   0.28850  1.0 1.0
   41    44    49    53   2.61350 -1.0 2.0
   41    44    49    53   0.78400  1.0 3.0
   42    41    44    45   7.00000 -1.0 2.0
   42    41    44    49   7.00000 -1.0 2.0
   44    49    53    54   7.00000 -1.0 2.0
   44    49    53    57   7.00000 -1.0 2.0
   45    44    49    33   0.00000  1.0 1.0
   45    44    49    53  -0.18600  1.0 3.0
   49    33    38    39   0.09700  1.0 1.0
   49    33    38    39   0.15600 -1.0 2.0
   49    33    38    39  -0.50800  1.0 3.0
   49    33   -38    40  -0.28300  1.0 1.0
   49    33   -38    40   0.26700 -1.0 2.0
   49    33   -38    40  -0.63300  1.0 3.0
   49    53    57    64   0.15800  1.0 1.0
   49    53    57    64   1.85350 -1.0 2.0
   49    53    57    64  -0.48700  1.0 3.0
   49    53    57    65   0.15800  1.0 1.0
   49    53    57    65   1.85350 -1.0 2.0
   49    53    57    65  -0.48700  1.0 3.0
   53    57    64    74   3.62500 -1.0 2.0
   53    57    64    95   3.62500 -1.0 2.0
   53    57    65    96   3.62500 -1.0 2.0
   53    57    65    76   3.62500 -1.0 2.0
   54    53    57    64  -0.01750  1.0 1.0
   54    53    57    64  -0.32000 -1.0 2.0
   54    53    57    64   0.00600  1.0 3.0
   54    53    57    65  -0.01750  1.0 1.0
   54    53    57    65  -0.32000 -1.0 2.0
   54    53    57    65   0.00600  1.0 3.0
   57    64    74    75   3.62500 -1.0 2.0
   57    64    74    79   3.62500 -1.0 2.0
   57    64    95    89   3.00000 -1.0 2.0
   57    64   -95    96   3.62500 -1.0 2.0
   57    65    76    77   0.00000  1.0 1.0
   57    65    76    78   0.00000  1.0 1.0
   57    65    76    81   0.04150 -1.0 2.0
   64    57   -65    96   3.62500 -1.0 2.0
   64    57    65    76   3.62500 -1.0 2.0
   64    74    79    80   3.62500 -1.0 2.0
   64    74    79    84   3.62500 -1.0 2.0
   64    95   -96    65   3.62500 -1.0 2.0
   74    64    95    89   3.00000 -1.0 2.0
   74    64    95    96   3.62500 -1.0 2.0
   74    79    84    85   3.62500 -1.0 2.0
   74    79   -84    89   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    84   3.62500 -1.0 2.0
   79    84    89    90   3.62500 -1.0 2.0
   79    84    89    95   3.62500 -1.0 2.0
   80    79    84    85   3.62500 -1.0 2.0
   80    79    84    89   3.62500 -1.0 2.0
   84    89   -95    64   3.62500 -1.0 2.0
   84    89    95    96   3.62500 -1.0 2.0
   85    84    89    90   3.62500 -1.0 2.0
   85    84    89    95   3.62500 -1.0 2.0
   89    95    96    65   3.62500 -1.0 2.0
   90    89    95    64   3.62500 -1.0 2.0
   90    89    95    96   3.62500 -1.0 2.0
   95    64    74    75   3.50000 -1.0 2.0
   95    64   -74    79   3.50000 -1.0 2.0
   95    96   -65    57   3.62500 -1.0 2.0
   95    96    65    76   3.62500 -1.0 2.0
   96    65    76    77   0.00000  1.0 1.0
   96    65    76    78   0.00000  1.0 1.0
   96    65    76    81   0.38650  1.0 1.0
   96    65    76    81  -0.24750 -1.0 2.0
   96    65    76    81   0.76750  1.0 3.0
   65    57    64    74   3.62500 -1.0 2.0
   65    57   -64    95   3.50000 -1.0 2.0
   65    76    81    82   0.43200  1.0 3.0
   65    76    81    83   0.43200  1.0 3.0
   65    76    81    86  -0.03700  1.0 1.0
   65    76    81    86   0.37200 -1.0 2.0
   65    76    81    86  -0.47300  1.0 3.0
   76    81    86    87   0.15000  1.0 3.0
   76    81    86    88   0.15000  1.0 3.0
   76    81    86    91   0.56750  1.0 1.0
   76    81    86    91  -0.07550 -1.0 2.0
   76    81    86    91   0.20000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    86   0.15000  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    83   0.15000  1.0 3.0
   78    76    81    86   0.15000  1.0 3.0
   81    86    91    92   0.15000  1.0 3.0
   81    86    91    93   0.15000  1.0 3.0
   81    86    91    94   0.15000  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    91   0.15000  1.0 3.0
   83    81    86    87   0.15000  1.0 3.0
   83    81    86    88   0.15000  1.0 3.0
   83    81    86    91   0.15000  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    93   0.15000  1.0 3.0
   87    86    91    94   0.15000  1.0 3.0
   88    86    91    92   0.15000  1.0 3.0
   88    86    91    93   0.15000  1.0 3.0
   88    86    91    94   0.15000  1.0 3.0
   43    40    41    42   1.08500 -1.0 2.0
   43    40    41    44  -0.51250  1.0 1.0
   43    40    41    44   1.23350 -1.0 2.0
   43    46    50    51   0.23400  1.0 3.0
   43    46    50    52   0.23400  1.0 3.0
   43    46    50    55   1.69300  1.0 1.0
   43    46    50    55  -0.48450 -1.0 2.0
   46    50    55    56   0.17350  1.0 3.0
   46    50    55    58   0.47100  1.0 1.0
   46    50    55    61   0.47100  1.0 1.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    55   0.19200  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    55   0.19200  1.0 3.0
   50    55    58    59   0.15000  1.0 3.0
   50    55    58    60   0.15000  1.0 3.0
   50    55    58    66   0.47100  1.0 1.0
   50    55    61    62   0.15000  1.0 3.0
   50    55    61    63   0.15000  1.0 3.0
   50    55    61    70   0.47100  1.0 1.0
   51    50    55    56   0.13050  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   51    50    55    61   0.15000  1.0 3.0
   52    50    55    56   0.13050  1.0 3.0
   52    50    55    58   0.15000  1.0 3.0
   52    50    55    61   0.15000  1.0 3.0
   55    58    66    67   0.19200  1.0 3.0
   55    58    66    68   0.19200  1.0 3.0
   55    58    66    69   0.19200  1.0 3.0
   55    61    70    71   0.19200  1.0 3.0
   55    61    70    72   0.19200  1.0 3.0
   55    61    70    73   0.19200  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.13050  1.0 3.0
   56    55    58    66   0.17350  1.0 3.0
   56    55    61    62   0.13050  1.0 3.0
   56    55    61    63   0.13050  1.0 3.0
   56    55    61    70   0.17350  1.0 3.0
   58    55    61    62   0.15000  1.0 3.0
   58    55    61    63   0.15000  1.0 3.0
   58    55    61    70   0.47100  1.0 1.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    69   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    69   0.15000  1.0 3.0
   61    55    58    59   0.15000  1.0 3.0
   61    55    58    60   0.15000  1.0 3.0
   61    55    58    66   0.47100  1.0 1.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    72   0.15000  1.0 3.0
   62    61    70    73   0.15000  1.0 3.0
   63    61    70    71   0.15000  1.0 3.0
   63    61    70    72   0.15000  1.0 3.0
   63    61    70    73   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
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    44   1.10000 -1.0 2.0
   49    45    44    41   1.10000 -1.0 2.0
   33    44    49    53   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   64    65    57    53   4.00000 -1.0 2.0
   74    95    64    57   4.00000 -1.0 2.0
   79    75    74    64   1.10000 -1.0 2.0
   84    80    79    74   1.10000 -1.0 2.0
   89    85    84    79   1.10000 -1.0 2.0
   95    90    89    84   1.10000 -1.0 2.0
   89    96    95    64   4.00000 -1.0 2.0
   96    76    65    57   4.00000 -1.0 2.0
END
