* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    147    237     442
    1     0 S   NP   _N1_     1    28.69821    96.18049   -23.20268
    2     1 S   H    _HN1     2     1.02829    36.99260   167.39887
    3     1 S   H    _H1_     3     1.02783   102.33521   -89.16782
    4     1 S   H    _H2_     4     1.02951    74.60459    16.74414
    5     1 S   CT   _CA1     5     1.50108   140.38146   120.30074
    6     5 S   HC   _HA1     6     1.09572   105.21379    87.33800
    7     5 S   CO3  _C1_     7     1.53797   112.44677   -32.92069
    8     7 S   O2Z  _O11     8     1.26371   115.00859   -42.88541
    9     7 S   O2Z  _O12     9     1.26241   114.94978   136.29506
   10     5 S   CT   _CB1    10     1.53088   107.42787  -154.67098
   11    10 S   HC   HB11    11     1.09830   109.40071   -49.84744
   12    10 S   HC   HB12    12     1.09814   110.43033    66.76503
   13    10 S   CT   _CG1    13     1.52982   112.59310  -170.84341
   14    13 S   HC   HG11    14     1.09587   110.58370   -64.70410
   15    13 S   HC   HG12    15     1.09667   109.83492    54.52094
   16    13 S   C    _CD1    16     1.51796   112.29465   174.98042
   17    16 S   O    _OE1    17     1.22723   123.31244     4.51722
   18    16 S   N    _N2_    18     1.38649   111.61505  -175.59767
   19    18 S   H    _HN2    19     1.01582   118.93200     1.91796
   20    18 S   CT1  _CA2    20     1.46199   123.41405   178.22944
   21    20 S   HC   _HA2    21     1.09735   109.38885     0.28667
   22    20 S   C    _C2_    22     1.53508   108.52906  -115.21636
   23    22 S   O    _O2_    23     1.23051   122.30279  -147.65743
   24    20 S   CT   _CB2    32     1.53382   111.54801   122.30057
   25    24 S   HC   HB21    33     1.09578   109.94643    56.14024
   26    24 S   HC   HB22    34     1.09402   110.00477   175.15774
   27    22 S   N    _N3_    24     1.38339   113.65069    39.76749
   28    27 S   H    _HN3    25     1.01600   119.57226    -3.36633
   29    24 S   S    _SG2    35     1.82875   111.38501   -64.68645
   30    27 S   CT   _CA3    26     1.45289   123.17828   177.09209
   31    30 S   HC   HA31    27     1.09550   107.51236   -64.38761
   32    30 S   HC   HA32    28     1.09558   107.97429    52.03847
   33    29 S   CT   _C13    36     1.84791   100.17317   173.00611
   34    33 S   HC   _H3_    37     1.09727   104.43726   -37.61189
   35    30 S   CO3  _C3_    29     1.52952   114.10489   174.03290
   36    35 S   O2Z  _O31    30     1.26373   116.06611    -0.73008
   37    35 S   O2Z  _O32    31     1.26429   114.41135   179.33177
   38    33 S   CT   _C6_    38     1.53493   109.97176    76.53719
   39    38 S   HC   _H21    39     1.09509   111.78151   -48.73936
   40    38 S   HC   _H22    40     1.09671   110.27130  -166.45385
   41    38 S   CO4  _C4_    41     1.51666   112.20812    73.67922
   42    41 S   O    _O16    42     1.23223   120.52661  -137.52668
   43    41 S   CT   _C14    43     1.53373   117.67004    43.91387
   44    43 S   CT   _C8_    44     1.56061   108.32567   129.59021
   45    44 S   HC   _H25    45     1.09761   110.55283    66.86500
   46    44 S   HC   _H26    46     1.09907   109.03681   -48.79419
   47    43 S   CT   _C11    59     1.56562   108.32955    10.75243
   48    47 S   HC   _H29    60     1.10355   106.58134    59.68694
   49    43 S   CT   _C17    72     1.53926   107.46187  -113.63999
   50    49 S   HC   _H35    73     1.09308   112.66584   175.24692
   51    49 S   HC   _H36    74     1.09012   112.58920    53.04605
   52    49 S   HC   _H37    75     1.09716   110.69639   -64.95970
   53    44 S   CT   _C7_    47     1.53864   113.85577  -170.12608
   54    53 S   HC   _H23    48     1.09569   109.46818   174.61620
   55    53 S   HC   _H24    49     1.09585   110.29067   -68.04012
   56    33 S   CT   _C15    61     1.57408   115.65530  -155.38253
   57    53 S   CT   _C10    50     1.51602   109.01795    53.87196
   58    57 S   HC   _H28    51     1.10182   108.28187    61.29445
   59    56 S   CT   _C18    62     1.53756   115.49859    18.70518
   60    59 S   HC   _H38    63     1.09674   110.80890    50.76661
   61    59 S   HC   _H39    64     1.09130   113.29482   -71.44831
   62    59 S   HC   _H40    65     1.09559   111.36733   166.89088
   63    56 S   OH   _O19    66     1.45105   105.40126   133.35425
   64    63 S   HO   _H41    67     0.97289   108.13985   -67.43069
   65    57 S   CT   _C9_    52     1.51605   119.29869  -174.71773
   66    65 S   HC   _H27    53     1.09615   111.70634    46.00364
   67    65 S   CO4  _C5_    54     1.51995    99.41248   160.25096
   68    67 S   O    _O17    55     1.22086   126.19931   159.90803
   69    65 S   CT   _C16    68     1.51689   113.26714   -79.95596
   70    69 S   HC   _H32    69     1.09560   111.59459   -58.30723
   71    69 S   HC   _H33    70     1.09528   110.52952  -177.47780
   72    69 S   HC   _H34    71     1.09438   111.00684    62.63100
   73    67 S   OS   _O18    56     1.37908   109.48994   -20.52288
   74    57 S   CT   _C12    57     1.51606   111.11892   -58.82743
   75    74 S   HC   _H30    58     1.09749   111.71555   -58.59680
  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  10   5   4   3
  17   8   2   1   1  11   5   4  14   4  19  16   7   6  20   8
   6   2   1   1  11   5   4  10  12   7   6   3   2   1   2   1
  10   8   8   3   5   2   1   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    59    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    74    47    48    56    59    60    61    62    63    64  
   38    39    40    41    47    56    59    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    56    59    63    49  
   40    41    42    43    56  
   41    42    43    56  
   42    43    44    45    46    53    74    47    48    56    49    50    51    52  
   43    44    47    49  
   44    45    46    53    54    55    57    73    74    75    47    48    56    59    63    49    50    51    52  
   45    46    53    54    55    57    58    65    74    47    48    56    49    50    51    52  
   46    53    54    55    57    47    49  
   53    54    55    57    47    49  
   48    56    59    60    61    62    63    64    49    50    51    52    53    57    58    65    67    73    74    75  
   56    59    63    49    57    73    74    75  
   50    51    52    53    56    74  
   51    52  
   52  
    0  
   54    55    57    58    65    66    67    73    74    75    69  
   55    57    58    65    74  
   57    58    65    74  
   59    60    61    62    63    64    57    73    74    75  
   58    65    66    67    68    73    74    75    69    70    71    72  
   65    66    67    73    74    75    69  
   60    61    62    63    64    74  
   61    62    63  
   62    63  
   63  
   64    74  
    0  
   66    67    68    73    74    75    69    70    71    72  
   67    68    73    74    69    70    71    72  
   68    73    74    75    69    70    71    72  
   73    74    69  
   70    71    72    73    74  
   71    72  
   72  
    0  
   74    75  
   75  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    74   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    69   268.000  1.529
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    47   268.000  1.529
   47    48   340.000  1.090
   47    56   268.000  1.529
   56    59   268.000  1.529
   56    63   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    56    47    58.35000  112.70000
   33    56    59    58.35000  112.70000
   33    56    63    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    49    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    53    58.35000  112.70000
   43    47    74    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    56    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    57    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    65    58.35000  112.70000
   53    57    74    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    63.00000  111.10000
   57    65    69    58.35000  112.70000
   57    74    73    50.00000  109.50000
   57    74    75    37.50000  110.70000
   57    74    47    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    67    68    80.00000  120.40000
   65    67    73    81.00000  111.40000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    65    66    35.00000  109.50000
   67    73    74    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    47    50.00000  109.50000
   74    57    58    37.50000  110.70000
   74    57    65    58.35000  112.70000
   74    47    48    37.50000  110.70000
   74    47    56    58.35000  112.70000
   47    43    44    58.35000  112.70000
   47    74    75    37.50000  110.70000
   47    56    59    58.35000  112.70000
   47    56    63    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    55.00000  108.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    59    50.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    59   0.44750  1.0 1.0
   29    33    56    59  -0.17800 -1.0 2.0
   29    33    56    59   0.20200  1.0 3.0
   29    33    56    63   0.56750  1.0 1.0
   29    33    56    63  -0.07550 -1.0 2.0
   29    33    56    63   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    56    59    60   0.15000  1.0 3.0
   33    56    59    61   0.15000  1.0 3.0
   33    56    59    62   0.15000  1.0 3.0
   33    56    63    64  -0.11600  1.0 1.0
   33    56    63    64  -0.09450 -1.0 2.0
   33    56    63    64   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    59   0.15000  1.0 3.0
   34    33    56    63   0.23400  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    59   0.56750  1.0 1.0
   38    33    56    59  -0.07550 -1.0 2.0
   38    33    56    59   0.20000  1.0 3.0
   38    33    56    63   0.86500  1.0 1.0
   38    33    56    63  -0.17500 -1.0 2.0
   38    33    56    63   0.20800  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    47   0.60050  1.0 1.0
   38    41   -43    47   0.05600 -1.0 2.0
   38    41   -43    47   0.26150  1.0 3.0
   38    41    43    49   0.60050  1.0 1.0
   38    41    43    49   0.05600 -1.0 2.0
   38    41    43    49   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    46  -0.11250  1.0 3.0
   41    43    44    53  -0.95700  1.0 1.0
   41    43    44    53  -0.18200 -1.0 2.0
   41    43    44    53   0.29450  1.0 3.0
   41    43    47    74  -0.95700  1.0 1.0
   41    43    47    74  -0.18200 -1.0 2.0
   41    43    47    74   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    56  -0.95700  1.0 1.0
   41    43    47    56  -0.18200 -1.0 2.0
   41    43    47    56   0.29450  1.0 3.0
   41    43    49    50  -0.11250  1.0 3.0
   41    43    49    51  -0.11250  1.0 3.0
   41    43    49    52  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   42    41    43    49   0.30150 -1.0 2.0
   43    44    53    54   0.15000  1.0 3.0
   43    44    53    55   0.15000  1.0 3.0
   43    44    53    57   0.56750  1.0 1.0
   43    44    53    57  -0.07550 -1.0 2.0
   43    44    53    57   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    59   0.56750  1.0 1.0
   43    47    56    59  -0.07550 -1.0 2.0
   43    47    56    59   0.20000  1.0 3.0
   43    47    56    63   0.86500  1.0 1.0
   43    47    56    63  -0.17500 -1.0 2.0
   43    47    56    63   0.20800  1.0 3.0
   44    43    47    74   0.56750  1.0 1.0
   44    43    47    74  -0.07550 -1.0 2.0
   44    43    47    74   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    56   0.56750  1.0 1.0
   44    43    47    56  -0.07550 -1.0 2.0
   44    43    47    56   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    53    57    58   0.15000  1.0 3.0
   44    53    57    65   0.56750  1.0 1.0
   44    53    57    65  -0.07550 -1.0 2.0
   44    53    57    65   0.20000  1.0 3.0
   44    53   -57    74   0.56750  1.0 1.0
   44    53   -57    74  -0.07550 -1.0 2.0
   44    53   -57    74   0.20000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    57   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    55   0.15000  1.0 3.0
   46    44    53    57   0.15000  1.0 3.0
   53    57    65    66   0.15000  1.0 3.0
   53    57    65    67  -0.95700  1.0 1.0
   53    57    65    67  -0.18200 -1.0 2.0
   53    57    65    67   0.29450  1.0 3.0
   53    57    65    69   0.56750  1.0 1.0
   53    57    65    69  -0.07550 -1.0 2.0
   53    57    65    69   0.20000  1.0 3.0
   53    57    74    73   0.62750  1.0 1.0
   53    57    74    73  -0.30950 -1.0 2.0
   53    57    74    73   0.27300  1.0 3.0
   53    57    74    75   0.15000  1.0 3.0
   53    57    74    47   0.56750  1.0 1.0
   53    57    74    47  -0.07550 -1.0 2.0
   53    57    74    47   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    65   0.15000  1.0 3.0
   54    53    57    74   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    65   0.15000  1.0 3.0
   55    53    57    74   0.15000  1.0 3.0
   57    65    67    68   0.30150 -1.0 2.0
   57    65   -67    73   0.36750  1.0 3.0
   57    65    69    70   0.15000  1.0 3.0
   57    65    69    71   0.15000  1.0 3.0
   57    65    69    72   0.15000  1.0 3.0
   57    74   -47    43   0.56750  1.0 1.0
   57    74   -47    43  -0.07550 -1.0 2.0
   57    74   -47    43   0.20000  1.0 3.0
   57    74    47    48   0.15000  1.0 3.0
   57    74    47    56   0.56750  1.0 1.0
   57    74    47    56  -0.07550 -1.0 2.0
   57    74    47    56   0.20000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67  -0.11250  1.0 3.0
   58    57    65    69   0.15000  1.0 3.0
   58    57    74    73   0.23400  1.0 3.0
   58    57    74    75   0.15000  1.0 3.0
   58    57    74    47   0.15000  1.0 3.0
   65    57   -74    73   0.62750  1.0 1.0
   65    57   -74    73  -0.30950 -1.0 2.0
   65    57   -74    73   0.27300  1.0 3.0
   65    57    74    75   0.15000  1.0 3.0
   65    57    74    47   0.56750  1.0 1.0
   65    57    74    47  -0.07550 -1.0 2.0
   65    57    74    47   0.20000  1.0 3.0
   65    67   -73    74   1.63150  1.0 1.0
   65    67   -73    74   2.92000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    73   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   67    65    69    70  -0.11250  1.0 3.0
   67    65    69    71  -0.11250  1.0 3.0
   67    65    69    72  -0.11250  1.0 3.0
   67    73   -74    57  -0.25900  1.0 1.0
   67    73   -74    57  -0.47000 -1.0 2.0
   67    73   -74    57   0.11750  1.0 3.0
   67    73    74    75   0.08050  1.0 3.0
   67    73    74    47  -0.25900  1.0 1.0
   67    73    74    47  -0.47000 -1.0 2.0
   67    73    74    47   0.11750  1.0 3.0
   68    67    73    74   3.00000 -1.0 2.0
   73    74    47    43   0.62750  1.0 1.0
   73    74    47    43  -0.30950 -1.0 2.0
   73    74    47    43   0.27300  1.0 3.0
   73    74    47    48   0.23400  1.0 3.0
   73    74    47    56   0.62750  1.0 1.0
   73    74    47    56  -0.30950 -1.0 2.0
   73    74    47    56   0.27300  1.0 3.0
   74    57    65    66   0.15000  1.0 3.0
   74    57   -65    67  -0.95700  1.0 1.0
   74    57   -65    67  -0.18200 -1.0 2.0
   74    57   -65    67   0.29450  1.0 3.0
   74    57    65    69   0.56750  1.0 1.0
   74    57    65    69  -0.07550 -1.0 2.0
   74    57    65    69   0.20000  1.0 3.0
   74    47    56    33   0.56750  1.0 1.0
   74    47    56    33  -0.07550 -1.0 2.0
   74    47    56    33   0.20000  1.0 3.0
   74    47    56    59   0.56750  1.0 1.0
   74    47    56    59  -0.07550 -1.0 2.0
   74    47    56    59   0.20000  1.0 3.0
   74    47    56    63   0.86500  1.0 1.0
   74    47    56    63  -0.17500 -1.0 2.0
   74    47    56    63   0.20800  1.0 3.0
   75    74    47    43   0.15000  1.0 3.0
   75    74    47    48   0.15000  1.0 3.0
   75    74    47    56   0.15000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43   -44    53   0.56750  1.0 1.0
   47    43   -44    53  -0.07550 -1.0 2.0
   47    43   -44    53   0.20000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    52   0.15000  1.0 3.0
   47    56    59    60   0.15000  1.0 3.0
   47    56    59    61   0.15000  1.0 3.0
   47    56    59    62   0.15000  1.0 3.0
   47    56    63    64  -0.11600  1.0 1.0
   47    56    63    64  -0.09450 -1.0 2.0
   47    56    63    64   0.21250  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    59   0.15000  1.0 3.0
   48    47    56    63   0.23400  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41  -0.95700  1.0 1.0
   56    33   -38    41  -0.18200 -1.0 2.0
   56    33   -38    41   0.29450  1.0 3.0
   59    56    63    64  -0.11600  1.0 1.0
   59    56    63    64  -0.09450 -1.0 2.0
   59    56    63    64   0.21250  1.0 3.0
   63    56    59    60   0.23400  1.0 3.0
   63    56    59    61   0.23400  1.0 3.0
   63    56    59    62   0.23400  1.0 3.0
   69    65    67    68   0.30150 -1.0 2.0
   69    65    67    73   0.36750  1.0 3.0
   49    43    44    45   0.15000  1.0 3.0
   49    43    44    46   0.15000  1.0 3.0
   49    43    44    53   0.56750  1.0 1.0
   49    43    44    53  -0.07550 -1.0 2.0
   49    43    44    53   0.20000  1.0 3.0
   49    43    47    74   0.56750  1.0 1.0
   49    43    47    74  -0.07550 -1.0 2.0
   49    43    47    74   0.20000  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    56   0.56750  1.0 1.0
   49    43    47    56  -0.07550 -1.0 2.0
   49    43    47    56   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   65    73    67    68  10.50000 -1.0 2.0
END
