* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    142    231     415
    1     0 S   NP   _N1_     1    28.72628    94.70284   -22.30923
    2     1 S   H    _HN1     2     1.02779    95.10776   -82.44410
    3     1 S   H    _H1_     3     1.02955    86.50078    25.68075
    4     1 S   H    _H2_     4     1.02830    29.84472   159.91266
    5     1 S   CT   _CA1     5     1.50114   139.79117   143.62600
    6     5 S   HC   _HA1     6     1.09566   105.25692    67.81177
    7     5 S   CO3  _C1_     7     1.53842   112.33527   -52.52773
    8     7 S   O2Z  _O11     8     1.26373   115.00685   -43.75754
    9     7 S   O2Z  _O12     9     1.26235   114.95046   135.37241
   10     5 S   CT   _CB1    10     1.53077   107.42509  -174.13619
   11    10 S   HC   HB11    11     1.09823   109.55056   -49.09998
   12    10 S   HC   HB12    12     1.09829   110.33390    67.53180
   13    10 S   CT   _CG1    13     1.52992   112.59820  -170.12512
   14    13 S   HC   HG11    14     1.09599   110.41325   -60.84431
   15    13 S   HC   HG12    15     1.09637   110.07507    58.43027
   16    13 S   C    _CD1    16     1.51774   112.21460   178.91574
   17    16 S   O    _OE1    17     1.22731   123.25129    -4.16927
   18    16 S   N    _N2_    18     1.38627   111.60836   175.61559
   19    18 S   H    _HN2    19     1.01580   119.06588     2.83013
   20    18 S   CT1  _CA2    20     1.46312   123.36048  -176.58849
   21    20 S   HC   _HA2    21     1.09733   109.31638    -9.23878
   22    20 S   C    _C2_    22     1.53317   108.57896  -124.98660
   23    22 S   O    _O2_    23     1.23018   122.43460  -148.16122
   24    20 S   CT   _CB2    32     1.53469   111.20943   112.49367
   25    24 S   HC   HB21    33     1.09579   109.65722    57.98400
   26    24 S   HC   HB22    34     1.09480   110.51296   177.10119
   27    22 S   N    _N3_    24     1.38399   113.45023    39.35932
   28    27 S   H    _HN3    25     1.01643   119.45398    -3.71288
   29    24 S   S    _SG2    35     1.82712   111.01590   -62.77586
   30    27 S   CT   _CA3    26     1.45280   123.08278   176.87375
   31    30 S   HC   HA31    27     1.09554   107.52705   -63.51820
   32    30 S   HC   HA32    28     1.09559   107.93384    52.86939
   33    29 S   CT   _C10    36     1.84044   100.05996   163.67518
   34    33 S   HC   _H3_    37     1.09702   106.10246   -42.57671
   35    30 S   CO3  _C3_    29     1.52922   114.18094   174.84163
   36    35 S   O2Z  _O31    30     1.26359   116.07150    -1.21128
   37    35 S   O2Z  _O32    31     1.26433   114.40567   178.85910
   38    33 S   CM   _C8_    38     1.51842   109.52329    77.24184
   39    33 S   CT   _C11    53     1.54965   115.06555  -159.62750
   40    39 S   HC   _H4_    54     1.10063   106.20019   173.14296
   41    38 S   C3T  _C7_    39     1.48999   115.08763    72.13912
   42    38 S   CMA  _C9_    70     1.35750   120.27974  -111.47473
   43    42 S   OM   _O33    71     1.25993   132.51096  -177.46997
   44    42 S   HC   _H11    72     1.09174   112.86300     2.37141
   45    41 S   C3T  _C6_    40     1.51037   116.23306    96.35327
   46    45 S   HC   _H9_    41     1.08536   118.86228    -1.28268
   47    45 S   HC   _H10    42     1.08500   118.18675   140.88925
   48    41 S   CO4  _C18    67     1.48812   113.27051  -120.46196
   49    48 S   O    _O34    68     1.22572   122.04146    80.53916
   50    48 S   HC   _H22    69     1.10290   116.35660   -99.50421
   51    41 S   C3T  _C5_    43     1.53507   119.07649    28.07656
   52    51 S   CT   _C12    44     1.52616   119.83671     0.48578
   53    52 S   HC   _H5_    45     1.09947   106.45947   119.72194
   54    51 S   CT   _C4_    63     1.51395   119.52805  -151.84752
   55    54 S   HC   _H6_    64     1.09447   110.65160    81.93514
   56    54 S   HC   _H7_    65     1.09551   112.38445   -38.15372
   57    54 S   HC   _H8_    66     1.09513   110.44864  -157.62562
   58    52 S   CT   _C13    46     1.53178   115.80504  -121.31210
   59    58 S   HC   _H12    47     1.09610   111.63657   -73.29966
   60    58 S   HC   _H13    48     1.09501   111.13280    45.49483
   61    58 S   CT   _C14    49     1.53800   104.65018   165.59411
   62    61 S   CT   _C15    50     1.54286   104.41964   -33.52852
   63    62 S   HC   _H14    51     1.09538   111.92931  -107.06656
   64    62 S   HC   _H15    52     1.09735   110.95409   135.47337
   65    61 S   CT   _C16    55     1.53279   111.06629  -153.78901
   66    65 S   HC   _H16    56     1.09560   111.05726   -61.85152
   67    65 S   HC   _H17    57     1.09565   111.04182   178.00090
   68    65 S   HC   _H18    58     1.09561   111.49410    58.12106
   69    61 S   CT   _C17    59     1.53896   110.79161    85.25665
   70    69 S   HC   _H19    60     1.09577   111.02385    60.88594
   71    69 S   HC   _H20    61     1.09492   111.97062   -59.50464
   72    69 S   HC   _H21    62     1.09601   110.93334  -179.46259
  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   9   5   4   3
  18   7   2   1   1  16  17   8  17   5   1   1  13   5   4   5
   2   1  11  14   6   4   2   1   1  14   5   4  11  10   3   2
   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    52    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    51    52    53    58    61    62    63    64    39    40    48    42    43    44  
   38    41    52    62    39    40    42  
   36    37  
   37  
    0  
   41    45    46    47    51    52    62    39    40    54    48    49    50    42    43    44  
   40    65    69    54    42    41    45    51    52    53    58    59    60    61    62    63    64  
   51    52    53    58    61    62    63    64  
   45    46    47    51    52    53    58    54    55    56    57    48    49    50    42    43    44  
   43    44    45    48    51  
   44  
    0  
   46    47    51    52    53    58    54    55    56    57    48    49    50  
   47    51    52    54    48  
   51    52    54    48  
   49    50    51    52    54  
   50    51  
   51  
   52    53    58    59    60    61    62    54    55    56    57  
   53    58    59    60    61    62    63    64    65    69    54    55    56    57  
   58    59    60    61    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69    70    71    72  
   60    61    62    65    69  
   61    62    65    69  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    69  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.082800   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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    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   317.000  1.510
   33    39   268.000  1.529
   38    41   305.000  1.480
   38    42   465.000  1.376
   41    45   260.000  1.509
   41    51   260.000  1.509
   41    48   290.000  1.496
   45    46   340.000  1.088
   45    47   340.000  1.088
   45    51   260.000  1.509
   51    52   275.000  1.510
   51    54   275.000  1.510
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    39   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   42    43   745.000  1.250
   42    44   335.000  1.111
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.58800
   38    41    51    60.00000  120.58800
   38    41    48    70.00000  109.06800
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   41    45    46    37.50000  117.20000
   41    45    47    37.50000  117.20000
   41    45    51    10.00000   60.00500
   41    51    45    10.00000   60.00500
   41    51    52    60.00000  120.94000
   41    51    54    60.00000  120.94000
   41    48    49    75.00000  121.36600
   41    48    50    40.00000  115.82000
   45    51    52    60.00000  120.94000
   45    51    54    60.00000  120.94000
   47    45    46    35.00000  114.30000
   51    41    45    10.00000   60.00500
   51    45    46    37.50000  117.20000
   51    45    47    37.50000  117.20000
   51    52    53    45.00000  109.38400
   51    52    58    70.00000  112.37300
   51    52    39    70.00000  112.37300
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    39    62    58.35000  112.70000
   52    39    40    37.50000  110.70000
   58    52    53    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    61    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    39    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   62    39    40    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    52    53    37.50000  110.70000
   39    52    58    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    58.35000  112.70000
   69    61    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    41    45    65.00000  117.18000
   48    41    51    65.00000  117.18000
   50    48    49    35.00000  123.00000
   42    38    41    55.00000  125.06700
   44    42    43    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   33    38    41    51   0.46850  1.0 1.0
   33    38    41    51   0.08550 -1.0 2.0
   33    38    41    51   0.09800  1.0 3.0
   33    38    41    48   0.17250  1.0 1.0
   33    38    41    48  -0.04100 -1.0 2.0
   33    38    41    48  -0.33850  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   38    33    39    52   0.34400  1.0 1.0
   38    33    39    52   0.09450 -1.0 2.0
   38    33    39    52   0.11100  1.0 3.0
   38    33    39    62   0.34400  1.0 1.0
   38    33    39    62   0.09450 -1.0 2.0
   38    33    39    62   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41   -45    51   0.34400  1.0 1.0
   38    41   -45    51   0.09450 -1.0 2.0
   38    41   -45    51   0.11100  1.0 3.0
   38    41   -51    45   0.34400  1.0 1.0
   38    41   -51    45   0.09450 -1.0 2.0
   38    41   -51    45   0.11100  1.0 3.0
   38    41   -51    52   0.34400  1.0 1.0
   38    41   -51    52   0.09450 -1.0 2.0
   38    41   -51    52   0.11100  1.0 3.0
   38    41    51    54   0.34400  1.0 1.0
   38    41    51    54   0.09450 -1.0 2.0
   38    41    51    54   0.11100  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    50   0.81450  1.0 1.0
   38    41    48    50  -0.29600 -1.0 2.0
   38    41    48    50   0.60450  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    44   7.00000 -1.0 2.0
   41    45   -51    52   0.07850  1.0 1.0
   41    45   -51    52  -0.03950 -1.0 2.0
   41    45   -51    52   0.67350  1.0 3.0
   41    45   -51    54   0.07850  1.0 1.0
   41    45   -51    54  -0.03950 -1.0 2.0
   41    45   -51    54   0.67350  1.0 3.0
   41    51    52    53   0.15000  1.0 3.0
   41    51    52    58   0.07850  1.0 1.0
   41    51    52    58  -0.03950 -1.0 2.0
   41    51    52    58   0.67350  1.0 3.0
   41    51    52    39   0.07850  1.0 1.0
   41    51    52    39  -0.03950 -1.0 2.0
   41    51    52    39   0.67350  1.0 3.0
   41    51    54    55   0.15000  1.0 3.0
   41    51    54    56   0.15000  1.0 3.0
   41    51    54    57   0.15000  1.0 3.0
   45    41   -51    52   0.07850  1.0 1.0
   45    41   -51    52  -0.03950 -1.0 2.0
   45    41   -51    52   0.67350  1.0 3.0
   45    41   -51    54   0.07850  1.0 1.0
   45    41   -51    54  -0.03950 -1.0 2.0
   45    41   -51    54   0.67350  1.0 3.0
   45    41    48    49   0.30150 -1.0 2.0
   45    41    48    50   0.74550  1.0 1.0
   45    41    48    50  -0.00500 -1.0 2.0
   45    51    52    53   0.15000  1.0 3.0
   45    51    52    58   0.07850  1.0 1.0
   45    51    52    58  -0.03950 -1.0 2.0
   45    51    52    58   0.67350  1.0 3.0
   45    51    52    39   0.07850  1.0 1.0
   45    51    52    39  -0.03950 -1.0 2.0
   45    51    52    39   0.67350  1.0 3.0
   45    51    54    55   0.15000  1.0 3.0
   45    51    54    56   0.15000  1.0 3.0
   45    51    54    57   0.15000  1.0 3.0
   46    45   -51    41   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   47    45   -51    41   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    54   0.15000  1.0 3.0
   51    41   -45    46   0.15000  1.0 3.0
   51    41   -45    47   0.15000  1.0 3.0
   51    41    48    49   0.30150 -1.0 2.0
   51    41    48    50   0.74550  1.0 1.0
   51    41    48    50  -0.00500 -1.0 2.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    61   0.47050  1.0 1.0
   51    52    58    61   0.03900 -1.0 2.0
   51    52    58    61   0.20100  1.0 3.0
   51    52   -39    33   0.47050  1.0 1.0
   51    52   -39    33   0.03900 -1.0 2.0
   51    52   -39    33   0.20100  1.0 3.0
   51    52    39    62   0.47050  1.0 1.0
   51    52    39    62   0.03900 -1.0 2.0
   51    52    39    62   0.20100  1.0 3.0
   51    52    39    40   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58   -61    62   0.56750  1.0 1.0
   52    58   -61    62  -0.07550 -1.0 2.0
   52    58   -61    62   0.20000  1.0 3.0
   52    58    61    65   0.56750  1.0 1.0
   52    58    61    65  -0.07550 -1.0 2.0
   52    58    61    65   0.20000  1.0 3.0
   52    58    61    69   0.56750  1.0 1.0
   52    58    61    69  -0.07550 -1.0 2.0
   52    58    61    69   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    39    33   0.15000  1.0 3.0
   53    52    39    62   0.15000  1.0 3.0
   53    52    39    40   0.15000  1.0 3.0
   58    52    39    33   0.56750  1.0 1.0
   58    52    39    33  -0.07550 -1.0 2.0
   58    52    39    33   0.20000  1.0 3.0
   58    52   -39    62   0.56750  1.0 1.0
   58    52   -39    62  -0.07550 -1.0 2.0
   58    52   -39    62   0.20000  1.0 3.0
   58    52    39    40   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61   -62    39   0.56750  1.0 1.0
   58    61   -62    39  -0.07550 -1.0 2.0
   58    61   -62    39   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    61    69    70   0.15000  1.0 3.0
   58    61    69    71   0.15000  1.0 3.0
   58    61    69    72   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    61    69   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   60    58    61    69   0.15000  1.0 3.0
   61    62    39    33   0.56750  1.0 1.0
   61    62    39    33  -0.07550 -1.0 2.0
   61    62    39    33   0.20000  1.0 3.0
   61    62   -39    52   0.56750  1.0 1.0
   61    62   -39    52  -0.07550 -1.0 2.0
   61    62   -39    52   0.20000  1.0 3.0
   61    62    39    40   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    52   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    52   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    52    58    59   0.15000  1.0 3.0
   39    52    58    60   0.15000  1.0 3.0
   39    52   -58    61   0.56750  1.0 1.0
   39    52   -58    61  -0.07550 -1.0 2.0
   39    52   -58    61   0.20000  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    39   0.56750  1.0 1.0
   65    61    62    39  -0.07550 -1.0 2.0
   65    61    62    39   0.20000  1.0 3.0
   65    61    69    70   0.15000  1.0 3.0
   65    61    69    71   0.15000  1.0 3.0
   65    61    69    72   0.15000  1.0 3.0
   69    61    62    63   0.15000  1.0 3.0
   69    61    62    64   0.15000  1.0 3.0
   69    61    62    39   0.56750  1.0 1.0
   69    61    62    39  -0.07550 -1.0 2.0
   69    61    62    39   0.20000  1.0 3.0
   69    61    65    66   0.15000  1.0 3.0
   69    61    65    67   0.15000  1.0 3.0
   69    61    65    68   0.15000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    39   0.56750  1.0 1.0
   54    51    52    39  -0.07550 -1.0 2.0
   54    51    52    39   0.20000  1.0 3.0
   48    41    45    46   0.15000  1.0 3.0
   48    41    45    47   0.15000  1.0 3.0
   48    41   -45    51  -0.95700  1.0 1.0
   48    41   -45    51  -0.18200 -1.0 2.0
   48    41   -45    51   0.29450  1.0 3.0
   48    41   -51    45  -0.95700  1.0 1.0
   48    41   -51    45  -0.18200 -1.0 2.0
   48    41   -51    45   0.29450  1.0 3.0
   48    41    51    52  -0.95700  1.0 1.0
   48    41    51    52  -0.18200 -1.0 2.0
   48    41    51    52   0.29450  1.0 3.0
   48    41    51    54  -0.95700  1.0 1.0
   48    41    51    54  -0.18200 -1.0 2.0
   48    41    51    54   0.29450  1.0 3.0
   42    38    41    45   0.09850  1.0 1.0
   42    38    41    45   0.15250 -1.0 2.0
   42    38    41    45  -0.50650  1.0 3.0
   42    38    41    51   0.09850  1.0 1.0
   42    38    41    51   0.15250 -1.0 2.0
   42    38    41    51  -0.50650  1.0 3.0
   42    38    41    48  -0.51250  1.0 1.0
   42    38    41    48  -0.88800 -1.0 2.0
   42    38    41    48   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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
