* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    234     434
    1     0 S   NP   _N1_     1    28.78816    93.86313   -20.63080
    2     1 S   H    _HN1     2     1.02960   101.20468    43.75258
    3     1 S   H    _H1_     3     1.02838    27.55400   149.24200
    4     1 S   H    _H2_     4     1.02780    84.89761   -63.92423
    5     1 S   CT   _CA1     5     1.50085   135.68392   179.21267
    6     5 S   HC   _HA1     6     1.09562   105.34059    44.97655
    7     5 S   CO3  _C1_     7     1.53865   112.24302   -75.51086
    8     7 S   O2Z  _O11     8     1.26363   115.01456   -46.54951
    9     7 S   O2Z  _O12     9     1.26227   114.94309   132.77851
   10     5 S   CT   _CB1    10     1.53085   107.45810   163.07240
   11    10 S   HC   HB11    11     1.09815   109.62962   -49.25474
   12    10 S   HC   HB12    12     1.09837   110.30796    67.34579
   13    10 S   CT   _CG1    13     1.53021   112.57662  -170.35578
   14    13 S   HC   HG11    14     1.09430   110.38828   -55.36783
   15    13 S   HC   HG12    15     1.09605   110.26281    63.58793
   16    13 S   C    _CD1    16     1.51730   111.72511  -176.45939
   17    16 S   O    _OE1    17     1.22773   122.86536   -22.24426
   18    16 S   N    _N2_    18     1.38560   112.04331   158.81602
   19    18 S   H    _HN2    19     1.01577   119.21438     0.76156
   20    18 S   CT1  _CA2    20     1.46174   123.25429  -178.18609
   21    20 S   HC   _HA2    21     1.09735   109.32518   -14.79464
   22    20 S   C    _C2_    22     1.53425   108.23749  -130.50407
   23    22 S   O    _O2_    23     1.23006   122.27142  -145.71561
   24    20 S   CT   _CB2    32     1.53666   111.63181   107.26889
   25    24 S   HC   HB21    33     1.09092   109.35241    58.02988
   26    24 S   HC   HB22    34     1.09404   109.38131   176.16151
   27    22 S   N    _N3_    24     1.38515   113.33401    41.58034
   28    27 S   H    _HN3    25     1.01532   118.89104    -0.54930
   29    24 S   S    _SG2    35     1.82890   111.50452   -64.51305
   30    27 S   CT   _CA3    26     1.45454   123.49466   175.22837
   31    30 S   HC   HA31    27     1.09520   109.27850    23.22448
   32    30 S   HC   HA32    28     1.09496   107.09714   140.23636
   33    29 S   CT   _C18    36     1.90501   103.88600   164.54548
   34    30 S   CO3  _C3_    29     1.52927   113.14718  -100.28798
   35    34 S   O2Z  _O31    30     1.26401   115.43055   -43.46506
   36    34 S   O2Z  _O32    31     1.26358   114.96602   137.49914
   37    33 S   CT   _C10    37     1.53676   109.57805    39.43915
   38    37 S   HC   _H27    38     1.09384   111.44195   -65.42591
   39    37 S   HC   _H28    39     1.09549   110.37376   175.80932
   40    33 S   CT   _C17    70     1.62118   112.49249   -89.13308
   41    37 S   CO4  _C8_    40     1.50878   115.63433    58.83028
   42    41 S   O    _O18    41     1.22861   121.32271  -147.53290
   43    41 S   OS   _O19    42     1.35099   117.06413    38.34600
   44    43 S   CT   _C14    43     1.44093   123.67202   -19.63866
   45    44 S   HC   _H35    44     1.09553   107.22696  -102.87397
   46    44 S   HC   _H36    45     1.09625   106.59536   143.83482
   47    33 S   CT   _C16    46     1.55934   107.19754   151.21018
   48    47 S   HC   _H38    47     1.10030   107.30369  -174.57072
   49    47 S   CT   _C11    48     1.53183   112.89994    67.88567
   50    49 S   HC   _H29    49     1.09584   111.47624   -65.44420
   51    49 S   HC   _H30    50     1.09720   109.64867   177.25648
   52    49 S   CT   _C13    51     1.51842   110.44919    57.29498
   53    52 S   HC   _H33    52     1.09748   108.38318    69.26595
   54    52 S   HC   _H34    53     1.09679   109.90623  -176.27653
   55    52 S   NT   _N17    54     1.44439   114.18272   -51.18149
   56    55 S   CT   _C9_    55     1.46547   117.46658   -88.39609
   57    56 S   HC   _H25    56     1.09430   113.60281    46.26732
   58    56 S   HC   _H26    57     1.09431   109.97422   -76.28313
   59    56 S   CM   _C6_    58     1.49379   102.66626   166.04006
   60    59 S   HC   _H24    59     1.08004   123.88376   159.57129
   61    59 S   CM   _C7_    60     1.33920   109.81942   -13.62839
   62    61 S   CM   _C4_    61     1.43259   126.19154   167.52329
   63    62 S   HC   _H22    62     1.08496   119.07716    24.29315
   64    62 S   CM   _C5_    63     1.33921   120.41660  -152.54784
   65    64 S   HC   _H23    64     1.08687   118.96279   179.66023
   66    64 S   CT   _C15    65     1.50648   123.62853     1.19616
   67    66 S   HC   _H37    66     1.09376   106.94526  -115.64611
   68    66 S   CT   _C12    67     1.55166   113.68692     7.70319
   69    68 S   HC   _H31    68     1.10216   107.00214    87.37288
   70    68 S   HC   _H32    69     1.09656   109.68697  -160.38522
   71    66 S   OS   _O20    71     1.43555   106.87530   128.90150
   72    71 S   CT   _C19    72     1.42180   113.27998   158.23949
   73    72 S   HC   _H39    73     1.09340   108.16923  -178.02771
   74    72 S   HC   _H40    74     1.09330   110.97897    63.27060
   75    72 S   HC   _H41    75     1.09416   110.59873   -59.40409
  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
  25   2   1   1  13   6   5  24   6   2   6   8   4   3  10   4
   7   5   4   9   3   2  11   7   4   3   6   2   8   7   3   8
   4   9   5   4   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    47    48    49    55    61    68    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    46    47    48    49    50    51    52    55    56    59    61    62    66    68    69    70    40  
   35    36  
   36  
    0  
   38    39    41    42    43    44    47    48    49    55    61    68    40  
   39    41    42    43    47    40  
   41    42    43    47    40  
   71    41    44    47    48    49    52    53    54    55    56    57    58    59    60    61    62    63    64    66    67    68    69    70  
   42    43    44    45    46    47  
   43    44  
   44    45    46    47    48    49  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    52    53    54    55    61    68  
   49    50    51    52  
   50    51    52    53    54    55    56  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    61    68  
   54    55    56  
   55    56  
   56    57    58    59    60    61    62    66    68    69    70  
   57    58    59    60    61    62    68  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    68  
   61    62  
   62    63    64    65    66    68    69    70  
   63    64    65    66    67    68    71  
   64    65    66  
   65    66    67    68    69    70    71    72  
   66    67    68    71  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71  
   71  
   72    73    74    75  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.120000   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   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    47   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   382.000  1.448
   55    56   382.000  1.448
   55    40   382.000  1.448
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   380.000  1.444
   61    40   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    40   268.000  1.529
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    47    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    41    63.00000  111.10000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   33    40    55    56.20000  109.47000
   33    40    61    70.00000  112.02700
   33    40    68    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    43    81.00000  111.40000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    33    37    58.35000  112.70000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    56.20000  109.47000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    51.80000  107.20000
   52    55    40    51.80000  107.20000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    75.00000  110.70900
   55    40    61    75.00000  110.70900
   55    40    68    56.20000  109.47000
   56    59    60    35.00000  117.00000
   56    59    61    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    70.00000  123.01800
   59    61    40    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    40    68    70.00000  112.02700
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    70.00000  112.02700
   64    66    71    85.00000  110.90400
   66    64    65    35.00000  117.00000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    40    58.35000  112.70000
   66    71    72    60.00000  109.50000
   68    66    67    37.50000  110.70000
   70    68    69    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    47    58.35000  112.70000
   40    55    56    51.80000  107.20000
   40    61    62    70.00000  124.00000
   40    68    69    37.50000  110.70000
   40    68    70    37.50000  110.70000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    40    55   0.56750  1.0 1.0
   29    33    40    55  -0.07550 -1.0 2.0
   29    33    40    55   0.20000  1.0 3.0
   29    33    40    61   0.56750  1.0 1.0
   29    33    40    61  -0.07550 -1.0 2.0
   29    33    40    61   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    43   0.36750  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.56750  1.0 1.0
   33    47    49    52  -0.07550 -1.0 2.0
   33    47    49    52   0.20000  1.0 3.0
   37    33    47    44   0.56750  1.0 1.0
   37    33    47    44  -0.07550 -1.0 2.0
   37    33    47    44   0.20000  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    49   0.56750  1.0 1.0
   37    33    47    49  -0.07550 -1.0 2.0
   37    33    47    49   0.20000  1.0 3.0
   37    33    40    55   1.53400  1.0 1.0
   37    33    40    55  -0.09950 -1.0 2.0
   37    33    40    55   0.05700  1.0 3.0
   37    33    40    61   0.34400  1.0 1.0
   37    33    40    61   0.09450 -1.0 2.0
   37    33    40    61   0.11100  1.0 3.0
   37    33    40    68   0.56750  1.0 1.0
   37    33    40    68  -0.07550 -1.0 2.0
   37    33    40    68   0.20000  1.0 3.0
   37    41   -43    44   1.63150  1.0 1.0
   37    41   -43    44   2.92000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43    44    47  -0.25900  1.0 1.0
   41    43    44    47  -0.47000 -1.0 2.0
   41    43    44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -47    33   0.62750  1.0 1.0
   43    44   -47    33  -0.30950 -1.0 2.0
   43    44   -47    33   0.27300  1.0 3.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.62750  1.0 1.0
   43    44    47    49  -0.30950 -1.0 2.0
   43    44    47    49   0.27300  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    52   0.56750  1.0 1.0
   44    47    49    52  -0.07550 -1.0 2.0
   44    47    49    52   0.20000  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   47    33    37    38   0.15000  1.0 3.0
   47    33    37    39   0.15000  1.0 3.0
   47    33   -37    41  -0.95700  1.0 1.0
   47    33   -37    41  -0.18200 -1.0 2.0
   47    33   -37    41   0.29450  1.0 3.0
   47    33    40    55   1.53400  1.0 1.0
   47    33    40    55  -0.09950 -1.0 2.0
   47    33    40    55   0.05700  1.0 3.0
   47    33    40    61   0.34400  1.0 1.0
   47    33    40    61   0.09450 -1.0 2.0
   47    33    40    61   0.11100  1.0 3.0
   47    33    40    68   0.56750  1.0 1.0
   47    33    40    68  -0.07550 -1.0 2.0
   47    33    40    68   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   1.53400  1.0 1.0
   47    49   -52    55  -0.09950 -1.0 2.0
   47    49   -52    55   0.05700  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   49    52    55    56   0.23450  1.0 1.0
   49    52    55    56   0.02050 -1.0 2.0
   49    52    55    56   0.25250  1.0 3.0
   49    52    55    40   0.23450  1.0 1.0
   49    52    55    40   0.02050 -1.0 2.0
   49    52    55    40   0.25250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    56    57   0.28000  1.0 3.0
   52    55    56    58   0.28000  1.0 3.0
   52    55    56    59  -0.60800  1.0 1.0
   52    55    56    59   1.10050 -1.0 2.0
   52    55    56    59   0.47000  1.0 3.0
   52    55   -40    33   0.23450  1.0 1.0
   52    55   -40    33   0.02050 -1.0 2.0
   52    55   -40    33   0.25250  1.0 3.0
   52    55    40    61  -0.60800  1.0 1.0
   52    55    40    61   1.10050 -1.0 2.0
   52    55    40    61   0.47000  1.0 3.0
   52    55    40    68   0.23450  1.0 1.0
   52    55    40    68   0.02050 -1.0 2.0
   52    55    40    68   0.25250  1.0 3.0
   53    52    55    56   0.28000  1.0 3.0
   53    52    55    40   0.28000  1.0 3.0
   54    52    55    56   0.28000  1.0 3.0
   54    52    55    40   0.28000  1.0 3.0
   55    56    59    60   0.00000  1.0 1.0
   55    56   -59    61   0.90200  1.0 1.0
   55    56   -59    61   0.57900 -1.0 2.0
   55    56   -59    61  -0.62100  1.0 3.0
   56    55    40    33   0.23450  1.0 1.0
   56    55    40    33   0.02050 -1.0 2.0
   56    55    40    33   0.25250  1.0 3.0
   56    55   -40    61  -0.60800  1.0 1.0
   56    55   -40    61   1.10050 -1.0 2.0
   56    55   -40    61   0.47000  1.0 3.0
   56    55    40    68   0.23450  1.0 1.0
   56    55    40    68   0.02050 -1.0 2.0
   56    55    40    68   0.25250  1.0 3.0
   56    59    61    62   7.00000 -1.0 2.0
   56    59   -61    40   7.00000 -1.0 2.0
   57    56    59    60   0.33100  1.0 3.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.33100  1.0 3.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    62    63  -0.18600  1.0 3.0
   59    61    62    64   0.28850  1.0 1.0
   59    61    62    64   2.61350 -1.0 2.0
   59    61    62    64   0.78400  1.0 3.0
   59    61    40    33   0.09850  1.0 1.0
   59    61    40    33   0.15250 -1.0 2.0
   59    61    40    33  -0.50650  1.0 3.0
   59    61   -40    55   0.90200  1.0 1.0
   59    61   -40    55   0.57900 -1.0 2.0
   59    61   -40    55  -0.62100  1.0 3.0
   59    61    40    68   0.09850  1.0 1.0
   59    61    40    68   0.15250 -1.0 2.0
   59    61    40    68  -0.50650  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    40   7.00000 -1.0 2.0
   61    62    64    65   7.00000 -1.0 2.0
   61    62    64    66   7.00000 -1.0 2.0
   62    61    40    33   0.98200  1.0 1.0
   62    61    40    33  -0.11900 -1.0 2.0
   62    61    40    33   0.24250  1.0 3.0
   62    61    40    55   0.90200  1.0 1.0
   62    61    40    55   0.57900 -1.0 2.0
   62    61    40    55  -0.62100  1.0 3.0
   62    61    40    68   0.98200  1.0 1.0
   62    61    40    68  -0.11900 -1.0 2.0
   62    61    40    68   0.24250  1.0 3.0
   62    64    66    67   0.00000  1.0 1.0
   62    64   -66    68   0.09850  1.0 1.0
   62    64   -66    68   0.15250 -1.0 2.0
   62    64   -66    68  -0.50650  1.0 3.0
   62    64    66    71   0.39000  1.0 1.0
   62    64    66    71  -0.05800 -1.0 2.0
   62    64    66    71  -0.55150  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66    68    40   0.34400  1.0 1.0
   64    66    68    40   0.09450 -1.0 2.0
   64    66    68    40   0.11100  1.0 3.0
   64    66    71    72  -0.77900  1.0 1.0
   64    66    71    72  -0.36900 -1.0 2.0
   64    66    71    72   0.40400  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    71   0.00000  1.0 1.0
   66    68    40    33   0.56750  1.0 1.0
   66    68    40    33  -0.07550 -1.0 2.0
   66    68    40    33   0.20000  1.0 3.0
   66    68    40    55   1.53400  1.0 1.0
   66    68    40    55  -0.09950 -1.0 2.0
   66    68    40    55   0.05700  1.0 3.0
   66    68   -40    61   0.34400  1.0 1.0
   66    68   -40    61   0.09450 -1.0 2.0
   66    68   -40    61   0.11100  1.0 3.0
   66    71    72    73   0.37050  1.0 3.0
   66    71    72    74   0.37050  1.0 3.0
   66    71    72    75   0.37050  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    40   0.15000  1.0 3.0
   67    66    71    72   0.37050  1.0 3.0
   68    66    71    72   0.06250  1.0 1.0
   68    66    71    72  -0.01100 -1.0 2.0
   68    66    71    72   0.28050  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    55   0.15000  1.0 3.0
   69    68    40    61   0.15000  1.0 3.0
   70    68    40    33   0.15000  1.0 3.0
   70    68    40    55   0.15000  1.0 3.0
   70    68    40    61   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41  -0.95700  1.0 1.0
   40    33    37    41  -0.18200 -1.0 2.0
   40    33    37    41   0.29450  1.0 3.0
   40    33    47    44   0.56750  1.0 1.0
   40    33    47    44  -0.07550 -1.0 2.0
   40    33    47    44   0.20000  1.0 3.0
   40    33    47    48   0.15000  1.0 3.0
   40    33   -47    49   0.56750  1.0 1.0
   40    33   -47    49  -0.07550 -1.0 2.0
   40    33   -47    49   0.20000  1.0 3.0
   40    55    56    57   0.28000  1.0 3.0
   40    55    56    58   0.28000  1.0 3.0
   40    55   -56    59  -0.60800  1.0 1.0
   40    55   -56    59   1.10050 -1.0 2.0
   40    55   -56    59   0.47000  1.0 3.0
   40    61    62    63   0.00000  1.0 1.0
   40    61   -62    64  -0.18600  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    40   0.62750  1.0 1.0
   71    66    68    40  -0.30950 -1.0 2.0
   71    66    68    40   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   37    43    41    42  10.50000 -1.0 2.0
   56    60    59    61   1.10000 -1.0 2.0
   62    40    61    59   1.10000 -1.0 2.0
   61    63    62    64   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
END
