* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    239     447
    1     0 S   NP   _N1_     1    28.64695    95.34123   -23.64056
    2     1 S   H    _HN1     2     1.02951    77.48785    20.58718
    3     1 S   H    _H1_     3     1.02827    32.85508   174.46377
    4     1 S   H    _H2_     4     1.02781   104.82736   -85.38498
    5     1 S   CT   _CA1     5     1.50120   136.33078   127.09757
    6     5 S   HC   _HA1     6     1.09574   105.19037    84.46100
    7     5 S   CO3  _C1_     7     1.53777   112.45863   -35.73583
    8     7 S   O2Z  _O11     8     1.26369   114.99253   -42.30975
    9     7 S   O2Z  _O12     9     1.26239   114.94044   136.78976
   10     5 S   CT   _CB1    10     1.53081   107.41966  -157.58560
   11    10 S   HC   HB11    11     1.09831   109.32288   -50.04059
   12    10 S   HC   HB12    12     1.09813   110.46193    66.55215
   13    10 S   CT   _CG1    13     1.52985   112.62583  -171.05045
   14    13 S   HC   HG11    14     1.09592   110.60337   -66.09354
   15    13 S   HC   HG12    15     1.09672   109.81374    53.13530
   16    13 S   C    _CD1    16     1.51805   112.26614   173.53668
   17    16 S   O    _OE1    17     1.22723   123.31978     5.76412
   18    16 S   N    _N2_    18     1.38628   111.61846  -174.28770
   19    18 S   H    _HN2    19     1.01586   118.90547     1.53276
   20    18 S   CT1  _CA2    20     1.46195   123.44447   177.64391
   21    20 S   HC   _HA2    21     1.09733   109.44710     0.34035
   22    20 S   C    _C2_    22     1.53526   108.47384  -115.14659
   23    22 S   O    _O2_    23     1.23053   122.30466  -147.73417
   24    20 S   CT   _CB2    32     1.53411   111.45104   122.50891
   25    24 S   HC   HB21    33     1.09254   109.53457    56.15478
   26    24 S   HC   HB22    34     1.09463   109.81665   174.65082
   27    22 S   N    _N3_    24     1.38333   113.65109    39.70142
   28    27 S   H    _HN3    25     1.01599   119.56604    -3.40841
   29    24 S   S    _SG2    35     1.83067   111.14054   -66.15578
   30    27 S   CT   _CA3    26     1.45286   123.19234   177.10538
   31    30 S   HC   HA31    27     1.09549   107.51215   -64.41940
   32    30 S   HC   HA32    28     1.09557   107.97787    52.01158
   33    29 S   CT   _C12    36     1.89264   102.79573   163.22561
   34    30 S   CO3  _C3_    29     1.52953   114.09271   174.00027
   35    34 S   O2Z  _O31    30     1.26376   116.06378    -0.87402
   36    34 S   O2Z  _O32    31     1.26430   114.41119   179.18771
   37    33 S   CT   _C11    37     1.54320   109.73446    40.45235
   38    37 S   HC   _H16    38     1.10026   106.46824    35.98849
   39    37 S   HC   _H17    39     1.09477   109.82183   -77.37863
   40    33 S   CT   _C13    66     1.53954   110.98112   -90.48179
   41    40 S   HC   _H5_    67     1.09036   110.86751   170.88684
   42    37 S   CT   _C10    40     1.56657   119.61425   154.49169
   43    40 S   CT   _C17    68     1.52029   118.94161    46.35692
   44    43 S   HC   _H20    69     1.09390   112.85083   -65.00811
   45    43 S   HC   _H21    70     1.09646   109.96351   176.72350
   46    43 S   HC   _H22    71     1.09355   111.08995    58.28482
   47    42 S   CT   _C9_    41     1.55966   109.03687   -43.69760
   48    47 S   HC   _H4_    42     1.09975   108.47857   -64.50326
   49    42 S   CT   _C18    72     1.55850   105.46298  -160.21138
   50    49 S   HC   _H23    73     1.09269   113.07465  -175.91342
   51    49 S   HC   _H24    74     1.09672   110.95575    64.18234
   52    49 S   HC   _H25    75     1.09543   111.32843   -54.70225
   53    47 S   CT   _C8_    43     1.53939   112.46061   177.64898
   54    53 S   HC   _H14    44     1.09694   109.97550  -175.46387
   55    53 S   HC   _H15    45     1.09666   109.44476    68.80477
   56    47 S   CT   _C16    58     1.53495   111.66347    52.76944
   57    56 S   HC   _H18    59     1.09575   111.64026    64.52886
   58    56 S   HC   _H19    60     1.09831   109.88464   180.00000
   59    53 S   CT   _C7_    46     1.52369   113.23236   -52.94835
   60    59 S   HC   _H12    47     1.09626   109.43542   174.33223
   61    59 S   HC   _H13    48     1.09625   109.86674   -69.33316
   62    33 S   CT   _C15    61     1.53371   105.07577   161.56991
   63    62 S   HC   _H6_    62     1.09733   112.32422   -36.40928
   64    59 S   CT   _C6_    49     1.52389   112.25293    52.65612
   65    64 S   HC   _H10    50     1.09600   109.62456    70.65929
   66    64 S   HC   _H11    51     1.09750   108.45391  -174.15588
   67    62 S   OS   _O34    63     1.43991   105.00481    81.02426
   68    42 S   CT   _C5_    52     1.57139   113.97793    79.61157
   69    68 S   HC   _H3_    53     1.09125   108.81747   -59.43666
   70    67 S   CO4  _C14    64     1.36961   109.91210    22.51445
   71    70 S   O    _O33    65     1.22086   124.22773   177.67577
   72    68 S   CT   _C4_    54     1.53410   114.77809    59.25002
   73    72 S   HC   _H7_    55     1.09397   112.02278    63.10986
   74    72 S   HC   _H8_    56     1.09292   111.82726   -59.07390
   75    72 S   HC   _H9_    57     1.09612   110.25532  -177.62249
  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  13   5   4   3
  21   2   1   1  22   7   6  12   8  23   7   3   2   1  21  10
   9   3   2   1  13   6   5   8   4   3   8   5   4   4   2   8
   4   3   2   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    56    62    63    67    70    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    47    68    56    57    58    62    63    67    70    71    40    41    43    44    45    46    49  
   35    36  
   36  
    0  
   38    39    42    47    48    53    64    68    69    72    56    62    63    67    70    40    41    43    49    50    51    52  
   39    42    47    68    62    40    49  
   42    47    68    62    40    49  
   41    43    44    45    46    42    56    62    63    67    70    71  
   43    44    45    46    62    67    70    71  
   47    48    53    54    55    59    64    65    66    68    69    72    73    74    75    56    57    58    62    49    50    51    52  
   44    45    46    62    67    70    71  
   45    46    70  
   46    70  
   70  
   48    53    54    55    59    60    61    64    68    69    72    56    57    58    62    63    67    49    50    51    52  
   53    54    55    59    68    56    57    58    62    49  
   50    51    52    53    56    64    68    69    72  
   51    52    68  
   52    68  
   68  
   54    55    59    60    61    64    65    66    68    56    57    58    62  
   55    59    60    61    64    56  
   59    60    61    64    56  
   57    58    62    63    67    70    59    68  
   58    62    63    67  
   62    63    67  
   60    61    64    65    66    68    69    72  
   61    64    65    66    68  
   64    65    66    68  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    74    75  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    74    75  
   72    73    74    75  
   71  
    0  
   73    74    75  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    62   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    47   268.000  1.529
   42    68   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    67   320.000  1.410
   67    70   214.000  1.327
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    62    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    62    56    58.35000  112.70000
   33    62    63    37.50000  110.70000
   33    62    67    50.00000  109.50000
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   37    42    47    58.35000  112.70000
   37    42    68    58.35000  112.70000
   37    42    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    68    64    58.35000  112.70000
   42    68    69    37.50000  110.70000
   42    68    72    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    59    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    62    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    42    47    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    37.50000  110.70000
   72    68    69    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    62    63    37.50000  110.70000
   56    62    67    50.00000  109.50000
   58    56    57    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    67    70    83.00000  116.90000
   67    62    63    35.00000  109.50000
   67    70    71    83.00000  123.40000
   67    70    40    81.00000  111.40000
   70    40    41    35.00000  109.50000
   70    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    33    62    58.35000  112.70000
   40    70    71    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   49    42    47    58.35000  112.70000
   49    42    68    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    62    56   0.44750  1.0 1.0
   29    33    62    56  -0.17800 -1.0 2.0
   29    33    62    56   0.20200  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    67   0.56750  1.0 1.0
   29    33    62    67  -0.07550 -1.0 2.0
   29    33    62    67   0.20000  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    37    42    47   0.56750  1.0 1.0
   33    37    42    47  -0.07550 -1.0 2.0
   33    37    42    47   0.20000  1.0 3.0
   33    37    42    68   0.56750  1.0 1.0
   33    37    42    68  -0.07550 -1.0 2.0
   33    37    42    68   0.20000  1.0 3.0
   33    37    42    49   0.56750  1.0 1.0
   33    37    42    49  -0.07550 -1.0 2.0
   33    37    42    49   0.20000  1.0 3.0
   33    62   -67    70  -0.25900  1.0 1.0
   33    62   -67    70  -0.47000 -1.0 2.0
   33    62   -67    70   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   37    33    62    56   0.56750  1.0 1.0
   37    33    62    56  -0.07550 -1.0 2.0
   37    33    62    56   0.20000  1.0 3.0
   37    33    62    63   0.15000  1.0 3.0
   37    33    62    67   0.62750  1.0 1.0
   37    33    62    67  -0.30950 -1.0 2.0
   37    33    62    67   0.27300  1.0 3.0
   37    33    40    70  -0.95700  1.0 1.0
   37    33    40    70  -0.18200 -1.0 2.0
   37    33    40    70   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    53   0.56750  1.0 1.0
   37    42    47    53  -0.07550 -1.0 2.0
   37    42    47    53   0.20000  1.0 3.0
   37    42   -47    56   0.56750  1.0 1.0
   37    42   -47    56  -0.07550 -1.0 2.0
   37    42   -47    56   0.20000  1.0 3.0
   37    42    68    64   0.56750  1.0 1.0
   37    42    68    64  -0.07550 -1.0 2.0
   37    42    68    64   0.20000  1.0 3.0
   37    42    68    69   0.15000  1.0 3.0
   37    42    68    72   0.56750  1.0 1.0
   37    42    68    72  -0.07550 -1.0 2.0
   37    42    68    72   0.20000  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    52   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    68   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   39    37    42    47   0.15000  1.0 3.0
   39    37    42    68   0.15000  1.0 3.0
   39    37    42    49   0.15000  1.0 3.0
   42    47    53    54   0.15000  1.0 3.0
   42    47    53    55   0.15000  1.0 3.0
   42    47    53    59   0.56750  1.0 1.0
   42    47    53    59  -0.07550 -1.0 2.0
   42    47    53    59   0.20000  1.0 3.0
   42    47    56    57   0.15000  1.0 3.0
   42    47    56    58   0.15000  1.0 3.0
   42    47    56    62   0.56750  1.0 1.0
   42    47    56    62  -0.07550 -1.0 2.0
   42    47    56    62   0.20000  1.0 3.0
   42    68    72    73   0.15000  1.0 3.0
   42    68    72    74   0.15000  1.0 3.0
   42    68    72    75   0.15000  1.0 3.0
   47    42    68    64   0.56750  1.0 1.0
   47    42    68    64  -0.07550 -1.0 2.0
   47    42    68    64   0.20000  1.0 3.0
   47    42    68    69   0.15000  1.0 3.0
   47    42    68    72   0.56750  1.0 1.0
   47    42    68    72  -0.07550 -1.0 2.0
   47    42    68    72   0.20000  1.0 3.0
   47    42    49    50   0.15000  1.0 3.0
   47    42    49    51   0.15000  1.0 3.0
   47    42    49    52   0.15000  1.0 3.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    61   0.15000  1.0 3.0
   47    53   -59    64   0.56750  1.0 1.0
   47    53   -59    64  -0.07550 -1.0 2.0
   47    53   -59    64   0.20000  1.0 3.0
   47    56   -62    33   0.56750  1.0 1.0
   47    56   -62    33  -0.07550 -1.0 2.0
   47    56   -62    33   0.20000  1.0 3.0
   47    56    62    63   0.15000  1.0 3.0
   47    56    62    67   0.62750  1.0 1.0
   47    56    62    67  -0.30950 -1.0 2.0
   47    56    62    67   0.27300  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    62   0.15000  1.0 3.0
   53    47    56    57   0.15000  1.0 3.0
   53    47    56    58   0.15000  1.0 3.0
   53    47    56    62   0.56750  1.0 1.0
   53    47    56    62  -0.07550 -1.0 2.0
   53    47    56    62   0.20000  1.0 3.0
   53    59    64    65   0.15000  1.0 3.0
   53    59    64    66   0.15000  1.0 3.0
   53    59    64    68   0.56750  1.0 1.0
   53    59    64    68  -0.07550 -1.0 2.0
   53    59    64    68   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    64   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    64   0.15000  1.0 3.0
   59    64   -68    42   0.56750  1.0 1.0
   59    64   -68    42  -0.07550 -1.0 2.0
   59    64   -68    42   0.20000  1.0 3.0
   59    64    68    69   0.15000  1.0 3.0
   59    64    68    72   0.56750  1.0 1.0
   59    64    68    72  -0.07550 -1.0 2.0
   59    64    68    72   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    68   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    68   0.15000  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    74   0.15000  1.0 3.0
   64    68    72    75   0.15000  1.0 3.0
   65    64    68    42   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   66    64    68    42   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    72   0.15000  1.0 3.0
   68    42    47    48   0.15000  1.0 3.0
   68    42   -47    53   0.56750  1.0 1.0
   68    42   -47    53  -0.07550 -1.0 2.0
   68    42   -47    53   0.20000  1.0 3.0
   68    42    47    56   0.56750  1.0 1.0
   68    42    47    56  -0.07550 -1.0 2.0
   68    42    47    56   0.20000  1.0 3.0
   68    42    49    50   0.15000  1.0 3.0
   68    42    49    51   0.15000  1.0 3.0
   68    42    49    52   0.15000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   56    47    53    54   0.15000  1.0 3.0
   56    47    53    55   0.15000  1.0 3.0
   56    47    53    59   0.56750  1.0 1.0
   56    47    53    59  -0.07550 -1.0 2.0
   56    47    53    59   0.20000  1.0 3.0
   56    62    67    70  -0.25900  1.0 1.0
   56    62    67    70  -0.47000 -1.0 2.0
   56    62    67    70   0.11750  1.0 3.0
   57    56    62    33   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    67   0.23400  1.0 3.0
   58    56    62    33   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    67   0.23400  1.0 3.0
   62    33    37    38   0.15000  1.0 3.0
   62    33    37    39   0.15000  1.0 3.0
   62    33   -37    42   0.56750  1.0 1.0
   62    33   -37    42  -0.07550 -1.0 2.0
   62    33   -37    42   0.20000  1.0 3.0
   62    33   -40    70  -0.95700  1.0 1.0
   62    33   -40    70  -0.18200 -1.0 2.0
   62    33   -40    70   0.29450  1.0 3.0
   62    33    40    41   0.15000  1.0 3.0
   62    33    40    43   0.56750  1.0 1.0
   62    33    40    43  -0.07550 -1.0 2.0
   62    33    40    43   0.20000  1.0 3.0
   62    67    70    71   3.00000 -1.0 2.0
   62    67   -70    40   1.63150  1.0 1.0
   62    67   -70    40   2.92000 -1.0 2.0
   63    62    67    70   0.08050  1.0 3.0
   67    70   -40    33   0.36750  1.0 3.0
   67    70    40    41   0.00000  1.0 1.0
   67    70    40    43   0.36750  1.0 3.0
   70    40    43    44  -0.11250  1.0 3.0
   70    40    43    45  -0.11250  1.0 3.0
   70    40    43    46  -0.11250  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    62    56   0.56750  1.0 1.0
   40    33    62    56  -0.07550 -1.0 2.0
   40    33    62    56   0.20000  1.0 3.0
   40    33    62    63   0.15000  1.0 3.0
   40    33   -62    67   0.62750  1.0 1.0
   40    33   -62    67  -0.30950 -1.0 2.0
   40    33   -62    67   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    53   0.56750  1.0 1.0
   49    42    47    53  -0.07550 -1.0 2.0
   49    42    47    53   0.20000  1.0 3.0
   49    42    47    56   0.56750  1.0 1.0
   49    42    47    56  -0.07550 -1.0 2.0
   49    42    47    56   0.20000  1.0 3.0
   49    42    68    64   0.56750  1.0 1.0
   49    42    68    64  -0.07550 -1.0 2.0
   49    42    68    64   0.20000  1.0 3.0
   49    42    68    69   0.15000  1.0 3.0
   49    42    68    72   0.56750  1.0 1.0
   49    42    68    72  -0.07550 -1.0 2.0
   49    42    68    72   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   67    40    70    71  10.50000 -1.0 2.0
END
