* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    139    216     414
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02041    82.53496    51.61427
    3     1 S   H    _H1_     3     1.02111    34.82993  -169.37414
    4     1 S   H    _H2_     4     1.02115    96.89511   -56.42238
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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   CTL  _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   S    _S1_    36     2.05374   101.78162   -79.99230
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C15    37     1.81827   101.46682   -90.00306
   38    37 S   HC   _H21    38     1.09276   107.42726    41.73554
   39    37 S   HC   _H22    39     1.09471   107.97471   158.31476
   40    37 S   CT   _C14    40     1.53142   110.46888   -80.02732
   41    40 S   HC   _H19    41     1.09872   109.65538    56.29486
   42    40 S   HC   _H20    42     1.09788   108.81105   -59.39291
   43    40 S   CT   _C13    43     1.53729   115.02528   179.35776
   44    43 S   HC   _H5_    44     1.09565   109.01151   177.96212
   45    43 S   CO4  _C12    45     1.51975   111.98843   -63.50521
   46    45 S   O    _O34    46     1.22382   125.76404   120.42299
   47    43 S   SH   _S2_    72     1.82425   112.47152    61.49873
   48    47 S   HS   _H23    73     1.33841    95.68086    54.14187
   49    45 S   OS   _O33    47     1.37099   109.24541   -60.19306
   50    49 S   CT   _C10    48     1.42364   115.91026  -179.38452
   51    50 S   HC   _H16    49     1.09580   106.90317    29.99466
   52    50 S   CT   _C11    50     1.53645   109.08225   -87.54908
   53    52 S   HC   _H17    51     1.09671   109.06747    73.33860
   54    52 S   HC   _H18    52     1.09919   109.59284   -41.65160
   55    50 S   CT   _C9_    63     1.53490   110.09032   148.70008
   56    55 S   HC   _H14    64     1.09870   109.61645    40.97191
   57    55 S   HC   _H15    65     1.09755   109.07762   -73.96933
   58    52 S   CT   _C5_    53     1.53581   112.66931  -164.04145
   59    58 S   HC   _H3_    54     1.09471   111.35402   178.12247
   60    58 S   CT   _C6_    55     1.53012   112.80557   -52.79088
   61    60 S   HC   _H10    56     1.09500   112.50348   -35.34985
   62    60 S   HC   _H11    57     1.09600   110.23775  -154.51992
   63    60 S   CT   _C7_    58     1.53271   105.67920    87.31396
   64    63 S   HC   _H12    59     1.09605   109.43305   118.64581
   65    63 S   HC   _H13    60     1.09444   112.11717  -122.84794
   66    63 S   CT   _C8_    61     1.52968   105.64284    -0.01978
   67    66 S   HC   _H4_    62     1.09533   113.62511   144.71585
   68    58 S   NP   _N4_    66     1.51740   106.25875    59.25506
   69    68 S   H    _H9_    67     1.02905   109.54146    40.87144
   70    68 S   CT   _C4_    68     1.50010   114.79740   159.96383
   71    70 S   HC   _H6_    69     1.09156   107.87907    58.90862
   72    70 S   HC   _H7_    70     1.09163   107.81985   178.94020
   73    70 S   HC   _H8_    71     1.09173   107.81610   -61.08743
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1   9   5   4   9   5   4   7   5   8   3   2   1
  10  14   8  15   6   5  12   5   4  15   8  10   6   5   7   4
   3   7   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    47  
   39    40    41    42    43  
   40    41    42    43  
   41    42    43    44    45    46    49    47    48  
   42    43    44    45    47  
   43    44    45    47  
   44    45    46    49    50    47    48  
   45    46    49    47    48  
   46    49    50    51    52    55    47    48  
   49    50    47  
   48    49  
    0  
   50    51    52    53    54    58    66    55    56    57  
   51    52    53    54    58    59    60    63    66    67    55    56    57    68  
   52    53    54    58    66    55    56    57  
   53    54    58    59    60    61    62    63    66    55    56    57    68    69    70  
   54    58    59    60    55    68  
   58    59    60    55    68  
   56    57    68    69    70    58    60    63    64    65    66    67  
   57    68    63    66    67  
   68    63    66    67  
   59    60    61    62    63    64    65    66    67    68    69    70    71    72    73  
   60    61    62    63    66    68    69    70  
   61    62    63    64    65    66    67    68    69    70  
   62    63    64    65    66    68  
   63    64    65    66    68  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   48   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.090000   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
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   317.000  1.522
   43    47   222.000  1.810
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    68   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    55   268.000  1.529
   66    68   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   68    69   434.000  1.010
   68    70   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   47    48   274.000  1.336
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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    75.00000  111.63000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    43    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    63.00000  111.10000
   40    43    47    50.00000  108.60000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    45    46    80.00000  120.40000
   43    45    49    81.00000  111.40000
   43    47    48    44.00000   96.00000
   45    43    44    35.00000  109.50000
   45    49    50    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    58    58.35000  112.70000
   50    55    66    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    58.35000  112.70000
   52    58    68    80.00000  111.20000
   54    52    53    33.00000  107.80000
   58    52    53    37.50000  110.70000
   58    52    54    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    58.35000  112.70000
   58    68    66    75.00000  113.01200
   58    68    69    35.00000  109.50000
   58    68    70    75.00000  113.01200
   60    58    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    55    58.35000  112.70000
   63    66    68    80.00000  111.20000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    68    69    35.00000  109.50000
   66    68    70    75.00000  113.01200
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    66    67    37.50000  110.70000
   57    55    56    33.00000  107.80000
   68    58    59    35.00000  109.50000
   68    58    60    80.00000  111.20000
   68    66    67    35.00000  109.50000
   68    66    55    80.00000  111.20000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    70.00000  113.82000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.24000  1.0 3.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    43   0.44750  1.0 1.0
   33    37    40    43  -0.17800 -1.0 2.0
   33    37    40    43   0.20200  1.0 3.0
   37    40    43    44   0.15000  1.0 3.0
   37    40    43    45  -0.95700  1.0 1.0
   37    40    43    45  -0.18200 -1.0 2.0
   37    40    43    45   0.29450  1.0 3.0
   37    40    43    47   0.43650  1.0 1.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    43   0.15000  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    37    40    43   0.15000  1.0 3.0
   40    43    45    46   0.30150 -1.0 2.0
   40    43    45    49   0.36750  1.0 3.0
   40    43    47    48  -0.37950  1.0 1.0
   40    43    47    48  -0.15600 -1.0 2.0
   40    43    47    48   0.18750  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45  -0.11250  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45  -0.11250  1.0 3.0
   42    40    43    47   0.15000  1.0 3.0
   43    45    49    50   1.63150  1.0 1.0
   43    45    49    50   2.92000 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    48   0.22550  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    49    50    51   0.08050  1.0 3.0
   45    49    50    52  -0.25900  1.0 1.0
   45    49    50    52  -0.47000 -1.0 2.0
   45    49    50    52   0.11750  1.0 3.0
   45    49    50    55  -0.25900  1.0 1.0
   45    49    50    55  -0.47000 -1.0 2.0
   45    49    50    55   0.11750  1.0 3.0
   46    45    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    58   0.62750  1.0 1.0
   49    50    52    58  -0.30950 -1.0 2.0
   49    50    52    58   0.27300  1.0 3.0
   49    50    55    66   0.62750  1.0 1.0
   49    50    55    66  -0.30950 -1.0 2.0
   49    50    55    66   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    57   0.23400  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.56750  1.0 1.0
   50    52    58    60  -0.07550 -1.0 2.0
   50    52    58    60   0.20000  1.0 3.0
   50    52    58    68   1.36600  1.0 1.0
   50    52    58    68  -0.11450 -1.0 2.0
   50    52    58    68   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    55    66   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   52    50    55    66   0.56750  1.0 1.0
   52    50    55    66  -0.07550 -1.0 2.0
   52    50    55    66   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.15000  1.0 3.0
   52    58    60    63   0.56750  1.0 1.0
   52    58    60    63  -0.07550 -1.0 2.0
   52    58    60    63   0.20000  1.0 3.0
   52    58   -68    66   0.47100  1.0 1.0
   52    58    68    69   0.17350  1.0 3.0
   52    58    68    70   0.47100  1.0 1.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    68   0.19200  1.0 3.0
   54    52    58    59   0.15000  1.0 3.0
   54    52    58    60   0.15000  1.0 3.0
   54    52    58    68   0.19200  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    65   0.15000  1.0 3.0
   58    60   -63    66   0.56750  1.0 1.0
   58    60   -63    66  -0.07550 -1.0 2.0
   58    60   -63    66   0.20000  1.0 3.0
   58    68    70    71   0.15000  1.0 3.0
   58    68    70    72   0.15000  1.0 3.0
   58    68    70    73   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    68    66   0.15000  1.0 3.0
   59    58    68    69   0.13050  1.0 3.0
   59    58    68    70   0.15000  1.0 3.0
   60    58   -68    66   0.47100  1.0 1.0
   60    58    68    69   0.17350  1.0 3.0
   60    58    68    70   0.47100  1.0 1.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    55   0.56750  1.0 1.0
   60    63    66    55  -0.07550 -1.0 2.0
   60    63    66    55   0.20000  1.0 3.0
   60    63   -66    68   1.36600  1.0 1.0
   60    63   -66    68  -0.11450 -1.0 2.0
   60    63   -66    68   0.24250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    55    50   0.56750  1.0 1.0
   63    66    55    50  -0.07550 -1.0 2.0
   63    66    55    50   0.20000  1.0 3.0
   63    66    55    56   0.15000  1.0 3.0
   63    66    55    57   0.15000  1.0 3.0
   63    66   -68    58   0.47100  1.0 1.0
   63    66    68    69   0.17350  1.0 3.0
   63    66    68    70   0.47100  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    55   0.15000  1.0 3.0
   64    63    66    68   0.19200  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    55   0.15000  1.0 3.0
   65    63    66    68   0.19200  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.15000  1.0 3.0
   67    66    55    50   0.15000  1.0 3.0
   67    66    55    56   0.15000  1.0 3.0
   67    66    55    57   0.15000  1.0 3.0
   67    66    68    58   0.15000  1.0 3.0
   67    66    68    69   0.13050  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    58   0.56750  1.0 1.0
   55    50    52    58  -0.07550 -1.0 2.0
   55    50    52    58   0.20000  1.0 3.0
   55    66   -68    58   0.47100  1.0 1.0
   55    66    68    69   0.17350  1.0 3.0
   55    66    68    70   0.47100  1.0 1.0
   68    58    60    61   0.19200  1.0 3.0
   68    58    60    62   0.19200  1.0 3.0
   68    58   -60    63   1.36600  1.0 1.0
   68    58   -60    63  -0.11450 -1.0 2.0
   68    58   -60    63   0.24250  1.0 3.0
   68    66   -55    50   1.36600  1.0 1.0
   68    66   -55    50  -0.11450 -1.0 2.0
   68    66   -55    50   0.24250  1.0 3.0
   68    66    55    56   0.19200  1.0 3.0
   68    66    55    57   0.19200  1.0 3.0
   69    68    70    71   0.13050  1.0 3.0
   69    68    70    72   0.13050  1.0 3.0
   69    68    70    73   0.13050  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    49   0.40000  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
   43    49    45    46  10.50000 -1.0 2.0
END
