* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    115    176     338
    1     0 S   NP   _N1_     1    29.01354    97.89567   -22.77236
    2     1 S   H    _HN1     2     1.02948    61.41075     5.62497
    3     1 S   H    _H1_     3     1.02825    49.42737   160.80139
    4     1 S   H    _H2_     4     1.02798   104.32785   -97.74386
    5     1 S   CT   _CA1     5     1.50138   143.01368    92.01177
    6     5 S   HC   _HA1     6     1.09571   105.17480   108.46773
    7     5 S   CO3  _C1_     7     1.53776   112.43256   -11.81083
    8     7 S   O2Z  _O11     8     1.26383   115.00217   -42.69956
    9     7 S   O2Z  _O12     9     1.26223   114.96245   136.30481
   10     5 S   CT   _CB1    10     1.53053   107.39981  -133.49577
   11    10 S   HC   HB11    11     1.09846   109.40476   -48.68630
   12    10 S   HC   HB12    12     1.09812   110.44004    67.91298
   13    10 S   CT   _CG1    13     1.53041   112.65320  -169.57326
   14    13 S   HC   HG11    14     1.09563   110.79249   -66.68162
   15    13 S   HC   HG12    15     1.09663   109.67058    52.58704
   16    13 S   C    _CD1    16     1.51814   111.83489   173.18897
   17    16 S   O    _OE1    17     1.22775   123.07363    14.79116
   18    16 S   N    _N2_    18     1.38610   111.94216  -165.31247
   19    18 S   H    _HN2    19     1.01601   119.11109     1.37402
   20    18 S   CT1  _CA2    20     1.46323   123.42773   177.18158
   21    20 S   HC   _HA2    21     1.09747   109.18173     9.56452
   22    20 S   C    _C2_    22     1.53766   109.04565  -105.85376
   23    22 S   O    _O2_    23     1.23075   122.32228  -150.17223
   24    20 S   CT   _CB2    32     1.53485   111.49795   131.39093
   25    24 S   HC   HB21    33     1.09427   109.30087    56.02675
   26    24 S   HC   HB22    34     1.09364   109.87786   174.92001
   27    22 S   N    _N3_    24     1.38359   113.94559    37.61659
   28    27 S   H    _HN3    25     1.01510   119.63652    -3.73748
   29    24 S   S    _SG2    35     1.83238   110.94645   -64.54006
   30    27 S   CT   _CA3    26     1.45271   123.25077   177.04302
   31    30 S   HC   HA31    27     1.09551   107.58797   -62.38336
   32    30 S   HC   HA32    28     1.09554   107.90436    54.05502
   33    29 S   CT   _C13    36     1.87609   101.70549  -174.78489
   34    30 S   CO3  _C3_    29     1.52971   114.06249   175.95296
   35    34 S   O2Z  _O31    30     1.26387   116.10209    -1.58795
   36    34 S   O2Z  _O32    31     1.26433   114.41722   178.43065
   37    33 S   CM   _C12    37     1.52563   107.79423   -58.84460
   38    37 S   HC   _H9_    38     1.09359   112.56920   -71.05974
   39    33 S   CM   _C14    59     1.51897   110.46112    70.02131
   40    39 S   HC   _H10    60     1.08741   116.75578   -14.40475
   41    33 S   CO3  _C17    67     1.57230    99.71822  -176.05018
   42    41 S   O2Z  _O39    68     1.27075   116.18782   -71.02556
   43    41 S   O2Z  _O38    69     1.26755   116.76293   108.59678
   44    37 S   CMA  _C11    39     1.36048   130.47955   107.50466
   45    44 S   OM   _O40    40     1.26414   130.96871    -0.59545
   46    39 S   CM   _C15    61     1.34483   125.85851   164.92594
   47    44 S   CA   _C9_    41     1.50079   110.29381   179.17102
   48    46 S   CO3  _C16    62     1.55064   122.39982  -179.28921
   49    48 S   O2Z  _O36    63     1.26315   117.00962     2.99147
   50    48 S   O2Z  _O35    64     1.26867   113.98919  -177.49407
   51    46 S   OH   _O37    65     1.38371   121.64665     1.30266
   52    51 S   HO   _H11    66     0.97506   106.00944   178.59946
   53    47 S   CA   _C8_    42     1.40686   119.14738    83.13126
   54    53 S   HA   _H7_    43     1.08891   118.86497     0.52786
   55    53 S   CA   _C7_    44     1.40395   121.33014  -179.46332
   56    55 S   CA   _C6_    45     1.40695   118.52929    -0.13417
   57    56 S   HA   _H6_    46     1.08632   118.33531   179.93439
   58    55 S   CO3  _C18    56     1.51081   120.73478   179.81129
   59    58 S   O2Z  _O42    57     1.27137   117.29132   177.23990
   60    58 S   O2Z  _O41    58     1.27106   117.40800    -2.78600
   61    56 S   CA   _C5_    47     1.40082   121.30140    -0.06561
   62    47 S   CA   _C10    48     1.40647   122.13175   -96.67488
   63    61 S   OS   _O33    51     1.37235   124.94167  -179.89721
   64    62 S   OH   _O34    49     1.37467   121.17988    -0.57164
   65    64 S   HO   _H8_    50     0.97356   108.42964    -3.50722
   66    63 S   CT   _C4_    52     1.42188   117.25395    -0.13988
   67    66 S   HC   _H3_    53     1.09432   107.73332  -179.94065
   68    66 S   HC   _H4_    54     1.09497   111.15983    62.37675
   69    66 S   HC   _H5_    55     1.09497   111.16333   -62.25009
  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
  13   2   1   1  12   5  11   4   4   1   1   8   3   5  10   4
   2   1   1   1  10   4   8   9   4   3   1   1   8   4   5   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    39    40    46    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    47    39    40    46    48    51    41    42    43  
   35    36  
   36  
    0  
   38    44    45    47    53    62    39    40    46    41    42    43  
   44    45    47    39    41  
   40    46    48    49    50    51    52    41    42    43    44  
   46    48    51    41  
   42    43    44    46  
   43  
    0  
   45    47    53    54    55    61    62    64  
   47    53    62  
   48    49    50    51    52  
   53    54    55    56    61    62    64    65    63    58  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    61    62    64    58    59    60  
   55    56    62    58  
   56    57    61    62    63    58    59    60  
   57    61    62    64    63    66    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    64    65    63    66    67    68    69  
   64    65    63    66  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.067500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.715000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   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   317.000  1.510
   33    39   317.000  1.510
   33    41   317.000  1.522
   37    38   340.000  1.080
   37    44   465.000  1.376
   44    45   745.000  1.250
   44    47   320.000  1.460
   47    53   469.000  1.400
   47    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   450.000  1.364
   64    65   553.000  0.945
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    59   656.000  1.250
   58    60   656.000  1.250
   39    40   340.000  1.080
   39    46   549.000  1.340
   46    48   230.000  1.545
   46    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
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  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    70.00000  116.78000
   33    37    38    35.00000  117.00000
   33    37    44    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    46    70.00000  124.00000
   33    41    42    70.00000  117.00000
   33    41    43    70.00000  117.00000
   37    44    45    65.00000  137.10300
   37    44    47    60.00000  123.20500
   44    37    38    40.00000  120.50800
   44    47    53    60.00000  120.93500
   44    47    62    60.00000  120.93500
   47    44    45    85.00000  114.86500
   47    53    54    35.00000  120.00000
   47    53    55    63.00000  120.00000
   47    62    61    63.00000  120.00000
   47    62    64    70.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    58    85.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    80.00000  120.40000
   55    58    60    80.00000  120.40000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    70.00000  120.00000
   61    63    66    75.00000  111.00000
   62    47    53    63.00000  120.00000
   62    64    65    35.00000  113.00000
   63    61    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    55    56    85.00000  120.00000
   60    58    59    80.00000  126.00000
   39    33    37    70.00000  110.12100
   39    46    48    55.00000  124.75400
   39    46    51    80.00000  121.38400
   46    39    40    35.00000  120.00000
   46    48    49    85.00000  113.83300
   46    48    50    85.00000  113.83300
   46    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    46    48    80.00000  119.00000
   41    33    37    65.00000  111.94000
   41    33    39    65.00000  111.94000
   43    41    42    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.00000  1.0 1.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    46   0.42700  1.0 1.0
   29    33    39    46  -0.70350 -1.0 2.0
   29    33    39    46  -0.43150  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    43   0.30150 -1.0 2.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    47   7.00000 -1.0 2.0
   33    39    46    48   7.00000 -1.0 2.0
   33    39    46    51   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    46  -0.28300  1.0 1.0
   37    33    39    46   0.26700 -1.0 2.0
   37    33    39    46  -0.63300  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    43   0.30150 -1.0 2.0
   37    44    47    53   0.15800  1.0 1.0
   37    44    47    53   1.85350 -1.0 2.0
   37    44    47    53  -0.48700  1.0 3.0
   37    44    47    62   0.15800  1.0 1.0
   37    44    47    62   1.85350 -1.0 2.0
   37    44    47    62  -0.48700  1.0 3.0
   38    37    44    45   7.00000 -1.0 2.0
   38    37    44    47   7.00000 -1.0 2.0
   44    47    53    54   3.62500 -1.0 2.0
   44    47    53    55   3.62500 -1.0 2.0
   44    47    62    61   3.62500 -1.0 2.0
   44    47    62    64   3.62500 -1.0 2.0
   45    44    47    53  -0.01750  1.0 1.0
   45    44    47    53  -0.32000 -1.0 2.0
   45    44    47    53   0.00600  1.0 3.0
   45    44    47    62  -0.01750  1.0 1.0
   45    44    47    62  -0.32000 -1.0 2.0
   45    44    47    62   0.00600  1.0 3.0
   47    53    55    56   3.62500 -1.0 2.0
   47    53    55    58   3.62500 -1.0 2.0
   47    62    64    65   0.84100 -1.0 2.0
   53    47    62    61   3.62500 -1.0 2.0
   53    47    62    64   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55   -56    61   3.62500 -1.0 2.0
   53    55    58    59   1.05000 -1.0 2.0
   53    55    58    60   1.05000 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    56    61    63   3.62500 -1.0 2.0
   56    55    58    59   1.05000 -1.0 2.0
   56    55    58    60   1.05000 -1.0 2.0
   56    61   -62    47   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    63    66   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   0.84100 -1.0 2.0
   61    63    66    67   0.08050  1.0 3.0
   61    63    66    68   0.08050  1.0 3.0
   61    63    66    69   0.08050  1.0 3.0
   62    47    53    54   3.62500 -1.0 2.0
   62    47   -53    55   3.62500 -1.0 2.0
   62    61    63    66   1.63200 -1.0 2.0
   63    61    62    47   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    44  -0.28300  1.0 1.0
   39    33    37    44   0.26700 -1.0 2.0
   39    33    37    44  -0.63300  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    43   0.30150 -1.0 2.0
   39    46    48    49  -0.04000 -1.0 2.0
   39    46    48    49  -0.29050  1.0 3.0
   39    46    48    50  -0.04000 -1.0 2.0
   39    46    48    50  -0.29050  1.0 3.0
   39    46    51    52  -0.66100  1.0 1.0
   39    46    51    52   1.20850 -1.0 2.0
   39    46    51    52  -0.36000  1.0 3.0
   40    39    46    48   7.00000 -1.0 2.0
   40    39    46    51   7.00000 -1.0 2.0
   48    46    51    52   2.00000 -1.0 2.0
   51    46    48    49   1.68800 -1.0 2.0
   51    46    48    50   1.68800 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    44  -0.51250  1.0 1.0
   41    33    37    44  -0.88800 -1.0 2.0
   41    33    37    44   0.08850  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    46  -0.51250  1.0 1.0
   41    33    39    46  -0.88800 -1.0 2.0
   41    33    39    46   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    44  15.00000 -1.0 2.0
   47    45    44    37  15.00000 -1.0 2.0
   53    62    47    44   4.00000 -1.0 2.0
   55    54    53    47   1.10000 -1.0 2.0
   56    58    55    53   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   61    64    62    47   4.00000 -1.0 2.0
   59    55    58    60  10.50000 -1.0 2.0
   33    40    39    46  15.00000 -1.0 2.0
   48    51    46    39  15.00000 -1.0 2.0
   49    46    48    50  10.50000 -1.0 2.0
   42    33    41    43  10.50000 -1.0 2.0
END
