* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    138    210     394
    1     0 S   NP   _N1_     1    28.62742    98.32677   -23.23196
    2     1 S   H    _HN1     2     1.02947    61.77964     1.64163
    3     1 S   H    _H1_     3     1.02825    47.18533   163.83953
    4     1 S   H    _H2_     4     1.02801   109.35334   -99.36264
    5     1 S   CT   _CA1     5     1.50140   137.80893    91.48302
    6     5 S   HC   _HA1     6     1.09575   105.14141   107.68118
    7     5 S   CO3  _C1_     7     1.53753   112.47855   -12.52078
    8     7 S   O2Z  _O11     8     1.26380   114.99719   -42.13525
    9     7 S   O2Z  _O12     9     1.26231   114.94359   136.80744
   10     5 S   CT   _CB1    10     1.53044   107.39170  -134.34223
   11    10 S   HC   HB11    11     1.09849   109.30421   -49.05168
   12    10 S   HC   HB12    12     1.09811   110.48702    67.52500
   13    10 S   CT   _CG1    13     1.53049   112.67730  -169.96081
   14    13 S   HC   HG11    14     1.09558   110.81849   -68.71073
   15    13 S   HC   HG12    15     1.09664   109.63754    50.55273
   16    13 S   C    _CD1    16     1.51817   111.72747   171.10746
   17    16 S   O    _OE1    17     1.22779   123.06128    17.36298
   18    16 S   N    _N2_    18     1.38636   111.99869  -162.65151
   19    18 S   H    _HN2    19     1.01588   119.06829     0.52860
   20    18 S   CT1  _CA2    20     1.46228   123.31715   175.54579
   21    20 S   HC   _HA2    21     1.09745   109.23356     8.98968
   22    20 S   C    _C2_    22     1.53753   108.99339  -106.44833
   23    22 S   O    _O2_    23     1.23088   122.20558  -150.20438
   24    20 S   CT   _CB2    32     1.53412   111.71499   130.96148
   25    24 S   HC   HB21    33     1.09527   109.69989    56.22442
   26    24 S   HC   HB22    34     1.09392   109.73075   175.08857
   27    22 S   N    _N3_    24     1.38303   113.95175    37.39328
   28    27 S   H    _HN3    25     1.01522   119.63656    -3.29557
   29    24 S   S    _SG2    35     1.82987   111.24076   -64.41524
   30    27 S   CT   _CA3    26     1.45276   123.33853   177.21470
   31    30 S   HC   HA31    27     1.09546   107.54004   -64.24929
   32    30 S   HC   HA32    28     1.09554   107.97465    52.21799
   33    29 S   CT   _C9_    36     1.85635   101.60278  -171.23675
   34    30 S   CO3  _C3_    29     1.52991   114.00826   174.20394
   35    34 S   O2Z  _O31    30     1.26395   116.08958    -0.13848
   36    34 S   O2Z  _O32    31     1.26426   114.42147   179.89721
   37    33 S   CT   _C8_    37     1.56495   111.80517   -45.48018
   38    37 S   HC   _H10    38     1.09539   113.60353    76.50943
   39    37 S   HC   _H11    39     1.09531   109.90975   -44.33699
   40    33 S   S    _S1_    63     1.87079   109.01302    73.74235
   41    37 S   C4T  _C7_    40     1.53110   104.48743  -162.44533
   42    41 S   HC   _H5_    41     1.09789   112.13208   -85.79865
   43    40 S   CM   _C13    64     1.73290   102.67703    62.36509
   44    43 S   HC   _H12    65     1.08535   118.85122     3.45933
   45    41 S   C4T  _C6_    42     1.56322   128.43955   126.89073
   46    45 S   HC   _H4_    43     1.10030   111.69856   150.51443
   47    41 S   N4   _N4_    46     1.47077   100.96412    32.43705
   48    43 S   CM   _C14    66     1.33866   121.28184  -176.66235
   49    48 S   HC   _H13    67     1.08598   121.89607     0.07913
   50    45 S   C4   _C11    44     1.54864    85.43472   -98.87370
   51    50 S   O    _O33    45     1.20991   136.06444   173.25337
   52    33 S   CT1  _C10    47     1.56394   114.99099  -161.76358
   53    52 S   HC   _H6_    48     1.09568   112.50200   -97.38620
   54    45 S   CT   _C5_    52     1.52529   118.37359    19.47493
   55    54 S   HC   _H3_    53     1.09559   111.13459   -50.25608
   56    48 S   N    _N5_    68     1.37291   122.08892  -179.94766
   57    56 S   H    _H14    69     1.01669   117.56910     0.02798
   58    52 S   CO3  _C12    49     1.54592   115.79425    27.33909
   59    58 S   O2Z  _O35    50     1.26322   116.29891    58.63859
   60    58 S   O2Z  _O34    51     1.26541   114.31792  -121.38661
   61    54 S   CT   _C4_    54     1.52565   109.84890  -171.82017
   62    61 S   HC   _H7_    55     1.09595   110.96359   -58.29674
   63    61 S   HC   _H8_    56     1.09415   111.05788  -176.72906
   64    61 S   HC   _H9_    57     1.09373   111.60870    62.49357
   65    54 S   OS   _O37    58     1.42954   107.16397    70.81597
   66    56 S   C    _C15    70     1.38700   123.54409  -179.93147
   67    66 S   O    _O36    71     1.22821   126.08477     0.21489
   68    65 S   SY   _S2_    59     1.64023   120.93406  -142.06302
   69    68 S   OY   _O40    60     1.46132   104.89411   -50.71057
   70    68 S   OY   _O38    61     1.46187   103.30962  -170.48095
   71    68 S   OY   _O39    62     1.46114   104.31361    69.99478
   72    66 S   CT   _C16    72     1.50566   112.06227   179.85735
   73    72 S   HC   _H15    73     1.09371   109.99564    55.97662
   74    72 S   HC   _H16    74     1.09355   109.68306   -64.54277
   75    72 S   HC   _H17    75     1.09349   109.73986   175.67437
  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  11   5   4   3
  17   2   1   1  14   7   6  10  13   6   7   3  13   7   8   6
   3   8   2   4   3  10   6   7   3   2   1   1   5   3   2   1
   4   5   4   3   2   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    47    52    53    58    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    45    50    47    52    53    58    59    60    40    43    44    48  
   35    36  
   36  
    0  
   38    39    41    42    45    46    50    47    52    53    58    54    40    43  
   39    41    42    45    47    52    40  
   41    42    45    47    52    40  
   43    44    48    49    56    41    47    52    53    58  
   42    45    46    50    51    47    52    53    58    54    55    61    65  
   45    46    50    47    52    54  
   44    48    49    56    57    66    52  
   48    49    56  
   46    50    51    47    52    54    55    61    62    63    64    65    68  
   50    51    47    54    55    61    65  
   52    53    58    59    60    54    50    51  
   49    56    57    66    67    72  
   56    57    66  
   51    52    53    58    54    55    61    65  
   52    54  
   53    58    59    60  
   58    59    60  
   55    61    62    63    64    65    68    69    70    71  
   61    62    63    64    65    68  
   57    66    67    72    73    74    75  
   66    67    72  
   59    60  
   60  
    0  
   62    63    64    65    68  
   63    64    65  
   64    65  
   65  
   68    69    70    71  
   67    72    73    74    75  
   72    73    74    75  
   69    70    71  
   70    71  
   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   0.335000   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.169900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.500300   1.5900   1.4000   0.020110767  -0.896042159
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   69   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   70   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   71   2.9600   0.1700  -0.766433   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    52   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   260.000  1.519
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   305.000  1.456
   45    46   340.000  1.090
   45    50   250.000  1.540
   45    54   260.000  1.519
   50    51   930.000  1.212
   50    47   440.000  1.369
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    58   317.000  1.522
   58    59   656.000  1.250
   58    60   656.000  1.250
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    65   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    68   335.000  1.682
   68    69   735.000  1.471
   68    70   735.000  1.471
   68    71   735.000  1.471
   40    43   240.000  1.763
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    49   340.000  1.080
   48    56   400.000  1.384
   56    57   434.000  1.010
   56    66   490.000  1.335
   66    67   570.000  1.229
   66    72   317.000  1.522
   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    52    75.00000  108.68000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.98000
   33    52    47    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    58    63.00000  111.10000
   33    40    43    85.00000  102.41200
   37    41    42    45.00000  112.72800
   37    41    45    65.00000  119.52000
   37    41    47    80.00000  110.05700
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  111.22300
   41    37    39    45.00000  111.22300
   41    45    46    37.50000  110.70000
   41    45    50   100.00000   86.36000
   41    45    54    65.00000  119.52000
   41    47    50   100.00000   93.00000
   41    47    52    50.00000  132.70000
   45    41    42    37.50000  110.70000
   45    50    51    60.00000  136.58000
   45    50    47    95.00000   92.72400
   45    54    55    45.00000  111.22300
   45    54    61    70.00000  112.98000
   45    54    65    50.00000  109.50000
   50    45    46    40.00000  113.37500
   50    47    52    50.00000  132.10000
   47    41    42    50.00000  112.01000
   47    41    45   105.00000   87.49700
   47    50    51    75.00000  131.60000
   47    52    53    35.00000  109.50000
   47    52    58    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    58    59    70.00000  117.00000
   52    58    60    70.00000  117.00000
   58    52    53    35.00000  109.50000
   60    58    59    80.00000  126.00000
   54    45    46    45.00000  112.72800
   54    45    50    63.00000  111.10000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   54    65    68   100.00000  113.05000
   61    54    55    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    61    50.00000  109.50000
   65    68    69   135.00000  106.70400
   65    68    70   135.00000  106.70400
   65    68    71   135.00000  106.70400
   70    68    69   115.00000  120.17200
   71    68    69   115.00000  120.17200
   71    68    70   115.00000  120.17200
   40    33    37    75.00000  111.63000
   40    33    52    75.00000  108.68000
   40    43    44    40.00000  115.49800
   40    43    48    65.00000  122.11800
   43    48    49    35.00000  120.00000
   43    48    56    75.00000  120.83300
   48    43    44    35.00000  120.00000
   48    56    57    45.00000  117.55000
   48    56    66    70.00000  120.89900
   56    48    49    45.00000  111.09300
   56    66    67    80.00000  122.90000
   56    66    72    70.00000  116.60000
   66    56    57    35.00000  119.80000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   72    66    67    80.00000  120.40000
   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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    52    47   0.71400  1.0 1.0
   29    33    52    47   0.04300 -1.0 2.0
   29    33    52    47   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58  -2.17200  1.0 1.0
   29    33    52    58  -0.85700 -1.0 2.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    45   0.04050  1.0 1.0
   33    37    41    45   0.63700 -1.0 2.0
   33    37    41    45   0.17650  1.0 3.0
   33    37   -41    47   0.43900  1.0 1.0
   33    37   -41    47   0.49100 -1.0 2.0
   33    37   -41    47   0.28400  1.0 3.0
   33    52    58    59   0.00000  1.0 1.0
   33    52    58    60   0.00000  1.0 1.0
   33    40    43    44   1.00000 -1.0 2.0
   33    40    43    48   1.00000 -1.0 2.0
   37    33   -52    47   0.42250  1.0 1.0
   37    33   -52    47  -0.48100 -1.0 2.0
   37    33   -52    47   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    58  -0.84850  1.0 1.0
   37    33    52    58  -0.22800 -1.0 2.0
   37    33    52    58   0.29250  1.0 3.0
   37    33    40    43   0.00000  1.0 1.0
   37    41    45    46   0.15000  1.0 3.0
   37    41    45    50  -0.95700  1.0 1.0
   37    41    45    50  -0.18200 -1.0 2.0
   37    41    45    50   0.29450  1.0 3.0
   37    41    45    54   0.56750  1.0 1.0
   37    41    45    54  -0.07550 -1.0 2.0
   37    41    45    54   0.20000  1.0 3.0
   37    41   -47    50   0.00000  1.0 1.0
   37    41   -47    52   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    41    47   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    45   0.00000  1.0 1.0
   39    37    41    47   0.15000  1.0 3.0
   41    45    50    51  -0.11250  1.0 1.0
   41    45    50    51   0.11400 -1.0 2.0
   41    45    50    51  -0.28950  1.0 3.0
   41    45   -50    47   3.00000 -1.0 2.0
   41    45    54    55   0.00000  1.0 1.0
   41    45    54    61   0.04050  1.0 1.0
   41    45    54    61   0.63700 -1.0 2.0
   41    45    54    61   0.17650  1.0 3.0
   41    45    54    65   0.62750  1.0 1.0
   41    45    54    65  -0.30950 -1.0 2.0
   41    45    54    65   0.27300  1.0 3.0
   41    47   -52    33   0.00000  1.0 1.0
   41    47    52    53   0.00000  1.0 1.0
   41    47    52    58   0.00000  1.0 1.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   42    41    45    54   0.15000  1.0 3.0
   42    41   -47    50   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   45    41   -47    50   0.00000  1.0 1.0
   45    41    47    52   0.00000  1.0 1.0
   45    50   -47    41   3.00000 -1.0 2.0
   45    50   -47    52   3.00000 -1.0 2.0
   45    54    61    62   0.15000  1.0 3.0
   45    54    61    63   0.15000  1.0 3.0
   45    54    61    64   0.15000  1.0 3.0
   45    54    65    68   0.37500  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    47   0.00000  1.0 1.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    61   0.15000  1.0 3.0
   46    45    54    65   0.23400  1.0 3.0
   50    45    54    55  -0.11250  1.0 3.0
   50    45    54    61  -0.95700  1.0 1.0
   50    45    54    61  -0.18200 -1.0 2.0
   50    45    54    61   0.29450  1.0 3.0
   50    45    54    65  -0.09450  1.0 1.0
   50    45    54    65  -1.12950 -1.0 2.0
   50    45    54    65   0.54000  1.0 3.0
   50    47    52    33   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    58   0.00000  1.0 1.0
   51    50   -47    41   3.00000 -1.0 2.0
   51    50    47    52   3.00000 -1.0 2.0
   47    41   -45    46   0.15000  1.0 3.0
   47    41   -45    50   3.00000 -1.0 2.0
   47    41    45    54   0.43900  1.0 1.0
   47    41    45    54   0.49100 -1.0 2.0
   47    41    45    54   0.28400  1.0 3.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    41   0.31550 -1.0 2.0
   52    33   -37    41   0.11250  1.0 3.0
   52    33    40    43   0.00000  1.0 1.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    45    50    51   0.30150 -1.0 2.0
   54    45   -50    47   1.39750  1.0 1.0
   54    45   -50    47  -0.07950 -1.0 2.0
   54    45   -50    47  -0.18750  1.0 3.0
   54    65    68    69   0.29800  1.0 3.0
   54    65    68    70   0.29800  1.0 3.0
   54    65    68    71   0.29800  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   55    54    65    68   0.00000  1.0 1.0
   61    54    65    68   0.37500  1.0 3.0
   65    54    61    62   0.23400  1.0 3.0
   65    54    61    63   0.23400  1.0 3.0
   65    54    61    64   0.23400  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   0.44750  1.0 1.0
   40    33    37    41  -0.17800 -1.0 2.0
   40    33    37    41   0.20200  1.0 3.0
   40    33    52    47   0.71400  1.0 1.0
   40    33    52    47   0.04300 -1.0 2.0
   40    33    52    47   0.01450  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    58  -2.17200  1.0 1.0
   40    33    52    58  -0.85700 -1.0 2.0
   40    43    48    49   7.00000 -1.0 2.0
   40    43    48    56   7.00000 -1.0 2.0
   43    48    56    57   0.78350 -1.0 2.0
   43    48    56    66  -0.18900  1.0 1.0
   43    48    56    66   1.70900 -1.0 2.0
   44    43    48    49   7.00000 -1.0 2.0
   44    43    48    56   7.00000 -1.0 2.0
   48    56    66    67   2.67200 -1.0 2.0
   48    56    66    72   0.67100  1.0 1.0
   48    56    66    72   1.42150 -1.0 2.0
   48    56    66    72   0.18700  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    66   1.44600  1.0 1.0
   56    66    72    73   0.00000  1.0 1.0
   56    66    72    74   0.00000  1.0 1.0
   56    66    72    75   0.00000  1.0 1.0
   57    56    66    67   2.45000 -1.0 2.0
   57    56    66    72   2.45000 -1.0 2.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    72    75   0.00000  1.0 1.0
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
   45    47    50    51  10.50000 -1.0 2.0
   52    50    47    41   1.00000 -1.0 2.0
   59    52    58    60  10.50000 -1.0 2.0
   40    44    43    48  15.00000 -1.0 2.0
   56    49    48    43  15.00000 -1.0 2.0
   57    66    56    48   1.00000 -1.0 2.0
   56    72    66    67  10.50000 -1.0 2.0
END
