* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    28.75987    94.57924   -20.69577
    2     1 S   H    _HN1     2     1.02962    94.36154    34.44552
    3     1 S   H    _H1_     3     1.02838    31.02892   150.79778
    4     1 S   H    _H2_     4     1.02778    85.98660   -73.64730
    5     1 S   CT   _CA1     5     1.50108   141.16529   165.17405
    6     5 S   HC   _HA1     6     1.09570   105.28163    51.33508
    7     5 S   CO3  _C1_     7     1.53828   112.29520   -68.98120
    8     7 S   O2Z  _O11     8     1.26359   115.01880   -45.50892
    9     7 S   O2Z  _O12     9     1.26236   114.91256   133.69218
   10     5 S   CT   _CB1    10     1.53083   107.43178   169.29601
   11    10 S   HC   HB11    11     1.09819   109.47687   -50.30935
   12    10 S   HC   HB12    12     1.09835   110.34566    66.26516
   13    10 S   CT   _CG1    13     1.53014   112.64762  -171.43911
   14    13 S   HC   HG11    14     1.09595   110.30035   -59.99685
   15    13 S   HC   HG12    15     1.09619   110.20229    59.24722
   16    13 S   C    _CD1    16     1.51781   112.10301   179.58457
   17    16 S   O    _OE1    17     1.22733   123.18510   -10.90967
   18    16 S   N    _N2_    18     1.38613   111.70153   169.28316
   19    18 S   H    _HN2    19     1.01587   119.04853     2.25949
   20    18 S   CT1  _CA2    20     1.46284   123.34405  -175.75859
   21    20 S   HC   _HA2    21     1.09728   109.35360   -15.67228
   22    20 S   C    _C2_    22     1.53337   108.42718  -131.59805
   23    22 S   O    _O2_    23     1.23007   122.25956  -145.72007
   24    20 S   CT   _CB2    32     1.53515   111.12691   106.27568
   25    24 S   HC   HB21    33     1.09590   109.51631    56.02119
   26    24 S   HC   HB22    34     1.09498   110.77982   174.84022
   27    22 S   N    _N3_    24     1.38513   113.31583    41.64211
   28    27 S   H    _HN3    25     1.01534   118.90781    -0.55953
   29    24 S   S    _SG2    35     1.82799   111.54248   -65.28025
   30    27 S   CT   _CA3    26     1.45449   123.42149   175.09144
   31    30 S   HC   HA31    27     1.09525   109.20158    24.99840
   32    30 S   HC   HA32    28     1.09494   107.12962   142.00102
   33    29 S   CT   _C15    36     1.83114    99.68037   153.77250
   34    33 S   HC   _H3_    37     1.09578   108.92161   -46.69608
   35    30 S   CO3  _C3_    29     1.52930   113.14704   -98.45127
   36    35 S   O2Z  _O31    30     1.26400   115.42132   -44.02192
   37    35 S   O2Z  _O32    31     1.26357   114.97145   136.91921
   38    33 S   CT   _C8_    38     1.53371   107.65592    74.08947
   39    38 S   HC   _H23    39     1.09527   113.67059    33.43477
   40    38 S   HC   _H24    40     1.09353   111.47454   -92.28099
   41    38 S   CO4  _C6_    41     1.50418   103.26405   149.45590
   42    41 S   O    _O17    42     1.22612   122.70805   175.01508
   43    41 S   CT   _C16    43     1.52810   112.59941    -2.95068
   44    33 S   CT   _C11    44     1.55085   115.08509  -170.06012
   45    44 S   HC   _H28    45     1.10037   105.71361   -44.07450
   46    43 S   CT   _C14    62     1.54565   109.99437  -141.14820
   47    46 S   HC   _H31    63     1.09826   108.00074   -48.26058
   48    43 S   CT   _C18    70     1.54080   103.28287    97.46062
   49    48 S   HC   _H36    71     1.08808   113.40291  -166.63404
   50    48 S   HC   _H37    72     1.09665   110.62621    72.08982
   51    48 S   HC   _H38    73     1.09646   112.17616   -46.05822
   52    44 S   CT   _C12    46     1.55195   118.74412    75.88223
   53    52 S   HC   _H29    47     1.09418   110.04577    70.62285
   54    46 S   OH   _O19    64     1.43731   108.71599    64.77018
   55    54 S   HO   _H39    65     0.97273   107.78598  -165.37453
   56    52 S   CT   _C9_    48     1.54907   110.31669  -168.56837
   57    56 S   HC   _H25    49     1.09707   110.41098    47.44008
   58    56 S   HC   _H26    50     1.09930   107.32863   162.11039
   59    52 S   CT   _C17    66     1.53512   113.98916   -47.21748
   60    59 S   HC   _H33    67     1.09452   111.62119   -56.85653
   61    59 S   HC   _H34    68     1.09618   110.78340  -176.55224
   62    59 S   HC   _H35    69     1.09355   111.26752    65.97613
   63    56 S   CT   _C13    51     1.52645   117.43228   -79.46444
   64    63 S   HC   _H30    52     1.10095   105.57326  -166.75899
   65    63 S   CT   _C10    53     1.52489   120.32668    71.86134
   66    65 S   HC   _H27    54     1.10028   106.22336    99.56005
   67    65 S   CM   _C4_    55     1.49332   100.27992  -148.34193
   68    67 S   CO4  _C5_    56     1.47502   109.97804    15.06009
   69    68 S   O    _O16    57     1.21736   127.06069   174.56588
   70    67 S   CM   _C7_    59     1.33616   128.21599  -163.39140
   71    70 S   HC   _H21    60     1.08498   120.85813    -0.73061
   72    70 S   HC   _H22    61     1.08522   121.76638   179.19351
   73    63 S   OS   _O18    58     1.43893   110.36486   -53.90096
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  17   7   6
   2   1   1  12   8   5   1  13   6   5   4   2   1   1   8   5
   8   4   6   5   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    56    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    65    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    56    63    65    66    67    46    47    54    55    59    48    49    50    51  
   45    52    53    56    57    58    63    65    46    47    54    59    60    61    62    48    49    50    51  
   52    53    56    46    59    48  
   47    54    55    48    49    50    51    52    56    63    64    65    66    67    68    70    73  
   54    55    48    63    65    66    67  
   49    50    51    52    54    65  
   50    51  
   51  
    0  
   53    56    57    58    63    64    65    73    59    60    61    62  
   56    57    58    63    59    60    61    62  
   55    63    65    66    67  
   65  
   57    58    63    64    65    66    67    68    73    59    60    61    62  
   58    63    64    65    73    59  
   63    64    65    73    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    73    70  
   65    66    67    68    73  
   66    67    68    69    73    70    71    72  
   67    68    73    70  
   68    69    73    70    71    72  
   69    73    70    71    72  
   73    70  
   71    72    73  
   72  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    73   320.000  1.410
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    46   268.000  1.529
   67    68   320.000  1.462
   67    70   549.000  1.340
   68    69   570.000  1.229
   68    73   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    65    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    56    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   56    52    53    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    58.35000  112.70000
   56    63    73    50.00000  109.50000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    70.00000  112.02700
   63    65    46    58.35000  112.70000
   63    73    68    83.00000  116.90000
   65    63    64    37.50000  110.70000
   65    67    68    65.00000  116.34900
   65    67    70    70.00000  124.00000
   65    46    47    37.50000  110.70000
   65    46    54    50.00000  109.50000
   67    65    66    35.00000  109.50000
   67    68    69    80.00000  123.72100
   67    68    73    90.00000  111.29400
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   73    63    64    35.00000  109.50000
   73    63    65    50.00000  109.50000
   73    68    69    83.00000  123.40000
   70    67    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    65    67    70.00000  112.02700
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   59    52    53    37.50000  110.70000
   59    52    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    56   0.56750  1.0 1.0
   33    44    52    56  -0.07550 -1.0 2.0
   33    44    52    56   0.20000  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    65  -0.95700  1.0 1.0
   41    43    46    65  -0.18200 -1.0 2.0
   41    43    46    65   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    56   0.56750  1.0 1.0
   43    44    52    56  -0.07550 -1.0 2.0
   43    44    52    56   0.20000  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    55  -0.11600  1.0 1.0
   43    46    54    55  -0.09450 -1.0 2.0
   43    46    54    55   0.21250  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    65   0.56750  1.0 1.0
   44    43    46    65  -0.07550 -1.0 2.0
   44    43    46    65   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.86500  1.0 1.0
   44    43    46    54  -0.17500 -1.0 2.0
   44    43    46    54   0.20800  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    56    57   0.15000  1.0 3.0
   44    52    56    58   0.15000  1.0 3.0
   44    52    56    63   0.56750  1.0 1.0
   44    52    56    63  -0.07550 -1.0 2.0
   44    52    56    63   0.20000  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    56   0.15000  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.56750  1.0 1.0
   52    56    63    65  -0.07550 -1.0 2.0
   52    56    63    65   0.20000  1.0 3.0
   52    56    63    73   0.62750  1.0 1.0
   52    56    63    73  -0.30950 -1.0 2.0
   52    56    63    73   0.27300  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    63   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   56    52    59    60   0.15000  1.0 3.0
   56    52    59    61   0.15000  1.0 3.0
   56    52    59    62   0.15000  1.0 3.0
   56    63    65    66   0.15000  1.0 3.0
   56    63    65    67   0.34400  1.0 1.0
   56    63    65    67   0.09450 -1.0 2.0
   56    63    65    67   0.11100  1.0 3.0
   56    63    65    46   0.56750  1.0 1.0
   56    63    65    46  -0.07550 -1.0 2.0
   56    63    65    46   0.20000  1.0 3.0
   56    63    73    68  -0.25900  1.0 1.0
   56    63    73    68  -0.47000 -1.0 2.0
   56    63    73    68   0.11750  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    73   0.23400  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    73   0.23400  1.0 3.0
   63    65   -67    68   0.09700  1.0 1.0
   63    65   -67    68   0.15600 -1.0 2.0
   63    65   -67    68  -0.50800  1.0 3.0
   63    65    67    70   0.09850  1.0 1.0
   63    65    67    70   0.15250 -1.0 2.0
   63    65    67    70  -0.50650  1.0 3.0
   63    65    46    43   0.56750  1.0 1.0
   63    65    46    43  -0.07550 -1.0 2.0
   63    65    46    43   0.20000  1.0 3.0
   63    65    46    47   0.15000  1.0 3.0
   63    65    46    54   0.86500  1.0 1.0
   63    65    46    54  -0.17500 -1.0 2.0
   63    65    46    54   0.20800  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    46   0.15000  1.0 3.0
   64    63    73    68   0.08050  1.0 3.0
   65    63   -73    68  -0.25900  1.0 1.0
   65    63   -73    68  -0.47000 -1.0 2.0
   65    63   -73    68   0.11750  1.0 3.0
   65    67    68    69  -0.64400  1.0 1.0
   65    67    68    69   0.26850 -1.0 2.0
   65    67   -68    73  -0.15000  1.0 1.0
   65    67   -68    73   0.89550 -1.0 2.0
   65    67   -68    73  -0.06900  1.0 3.0
   65    67    70    71   7.00000 -1.0 2.0
   65    67    70    72   7.00000 -1.0 2.0
   65    46    54    55  -0.11600  1.0 1.0
   65    46    54    55  -0.09450 -1.0 2.0
   65    46    54    55   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    70   0.00000  1.0 1.0
   66    65    46    43   0.15000  1.0 3.0
   66    65    46    47   0.15000  1.0 3.0
   66    65    46    54   0.23400  1.0 3.0
   67    65    46    43   0.34400  1.0 1.0
   67    65    46    43   0.09450 -1.0 2.0
   67    65    46    43   0.11100  1.0 3.0
   67    65    46    47   0.15000  1.0 3.0
   67    65    46    54   1.05650  1.0 1.0
   67    65    46    54   0.15600 -1.0 2.0
   67    65    46    54   0.53150  1.0 3.0
   67    68   -73    63   2.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   69    68    73    63   3.00000 -1.0 2.0
   73    63    65    66   0.23400  1.0 3.0
   73    63   -65    67   0.61850  1.0 1.0
   73    63   -65    67  -0.22750 -1.0 2.0
   73    63   -65    67   0.15300  1.0 3.0
   73    63    65    46   0.62750  1.0 1.0
   73    63    65    46  -0.30950 -1.0 2.0
   73    63    65    46   0.27300  1.0 3.0
   70    67    68    69   1.00000 -1.0 2.0
   70    67    68    73  -0.56150  1.0 1.0
   70    67    68    73   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    65    67    68   0.09700  1.0 1.0
   46    65    67    68   0.15600 -1.0 2.0
   46    65    67    68  -0.50800  1.0 3.0
   46    65    67    70   0.09850  1.0 1.0
   46    65    67    70   0.15250 -1.0 2.0
   46    65    67    70  -0.50650  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   59    52    56    57   0.15000  1.0 3.0
   59    52    56    58   0.15000  1.0 3.0
   59    52    56    63   0.56750  1.0 1.0
   59    52    56    63  -0.07550 -1.0 2.0
   59    52    56    63   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    65   0.56750  1.0 1.0
   48    43    46    65  -0.07550 -1.0 2.0
   48    43    46    65   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   65    68    67    70   1.10000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
