* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    142    227     416
    1     0 S   NP   _N1_     1    28.42121    94.87353   -21.98739
    2     1 S   H    _HN1     2     1.02835    31.74637   157.73279
    3     1 S   H    _H1_     3     1.02778    94.65504   -85.23509
    4     1 S   H    _H2_     4     1.02959    84.80320    22.78942
    5     1 S   CT   _CA1     5     1.50125   141.47251   139.34695
    6     5 S   HC   _HA1     6     1.09576   105.22011    69.36650
    7     5 S   CO3  _C1_     7     1.53772   112.39742   -50.82890
    8     7 S   O2Z  _O11     8     1.26360   114.99674   -43.61612
    9     7 S   O2Z  _O12     9     1.26236   114.91583   135.52564
   10     5 S   CT   _CB1    10     1.53088   107.42197  -172.73423
   11    10 S   HC   HB11    11     1.09827   109.29228   -50.81097
   12    10 S   HC   HB12    12     1.09817   110.43053    65.72453
   13    10 S   CT   _CG1    13     1.53019   112.70214  -171.90750
   14    13 S   HC   HG11    14     1.09594   110.48069   -64.71632
   15    13 S   HC   HG12    15     1.09657   109.94463    54.51873
   16    13 S   C    _CD1    16     1.51823   112.29249   174.84999
   17    16 S   O    _OE1    17     1.22726   123.24627    -0.09691
   18    16 S   N    _N2_    18     1.38623   111.67047  -179.86294
   19    18 S   H    _HN2    19     1.01582   119.04788     1.17286
   20    18 S   CT1  _CA2    20     1.46205   123.40461   179.27476
   21    20 S   HC   _HA2    21     1.09727   109.45775    -2.17781
   22    20 S   C    _C2_    22     1.53540   108.31852  -117.87115
   23    22 S   O    _O2_    23     1.23031   122.25494  -144.50900
   24    20 S   CT   _CB2    32     1.53444   111.62124   119.87341
   25    24 S   HC   HB21    33     1.09489   109.35894    57.59218
   26    24 S   HC   HB22    34     1.09435   109.49495   176.33152
   27    22 S   N    _N3_    24     1.38509   113.50020    42.68980
   28    27 S   H    _HN3    25     1.01491   118.97859    -0.32865
   29    24 S   S    _SG2    35     1.83291   111.53754   -63.57966
   30    27 S   CT   _CA3    26     1.45449   123.47072   175.44891
   31    30 S   HC   HA31    27     1.09520   109.31755    23.06774
   32    30 S   HC   HA32    28     1.09498   107.09929   140.07092
   33    29 S   CT   _C21    36     1.83765   101.90045   178.52395
   34    30 S   CO3  _C3_    29     1.52909   113.06831  -100.47688
   35    34 S   O2Z  _O31    30     1.26406   115.37967   -44.99065
   36    34 S   O2Z  _O32    31     1.26354   114.99493   135.95842
   37    33 S   CM   _C16    37     1.49936   112.60319    57.80203
   38    37 S   CMA  _C15    38     1.34575   112.63598  -114.01690
   39    38 S   OM   _O36    39     1.25730   132.94794  -175.28466
   40    37 S   CT   _C17    65     1.49795   118.27788    72.70166
   41    40 S   HC   _H10    66     1.09555   111.74681   173.28966
   42    40 S   HC   _H11    67     1.09610   109.64068   -68.62455
   43    38 S   N    _N5_    40     1.40308   108.48790    -1.20691
   44    40 S   CT   _C18    68     1.53165   109.54988    52.05078
   45    44 S   HC   _H12    69     1.09782   109.27158    70.58179
   46    44 S   HC   _H13    70     1.09603   109.54399  -172.83018
   47    43 S   CA   _C9_    41     1.43359   128.82711   175.84183
   48    33 S   C    _C22    63     1.52178   109.86987   -53.83015
   49    48 S   O    _O35    64     1.22508   123.82808   -61.06508
   50    44 S   CT   _C19    71     1.53331   112.69729   -50.61784
   51    50 S   HC   _H14    72     1.09613   109.35896   174.64690
   52    50 S   HC   _H15    73     1.09636   109.35454   -68.98441
   53    47 S   CA   _C8_    42     1.40827   120.65395   -41.79252
   54    53 S   HA   _H6_    43     1.08595   118.26720    -1.09146
   55    33 S   CT   _C20    74     1.53432   111.28894  -178.42890
   56    55 S   HC   _H16    75     1.09951   109.63046   164.33011
   57    55 S   HC   _H17    76     1.09759   111.09942    48.29231
   58    53 S   CA   _C7_    44     1.40605   121.70520  -178.82314
   59    58 S   CA   _C12    45     1.39897   118.30200    -0.40007
   60    59 S   CA   _C11    46     1.39391   120.93368     1.33647
   61    60 S   HA   _H7_    47     1.08619   120.59236   179.58599
   62    59 S   OS   _O33    50     1.36785   122.84752   178.15453
   63    47 S   CA   _C10    48     1.39874   121.32779   139.90721
   64    63 S   F    F1__    49     1.34154   120.88864    -4.82824
   65    62 S   CT   _C13    51     1.41111   112.47967    27.68022
   66    65 S   HC   _H8_    52     1.09560   107.10411  -166.81141
   67    65 S   HC   _H9_    53     1.09728   109.43656    77.11815
   68    65 S   C    _C14    54     1.51561   116.38599   -46.22580
   69    68 S   O    _O34    55     1.23104   120.57444  -146.93416
   70    58 S   N    _N4_    56     1.42817   122.78737   177.23204
   71    70 S   CT   _C6_    57     1.46450   121.11405    -7.77026
   72    71 S   HC   _H4_    58     1.09654   108.86970  -155.27068
   73    71 S   HC   _H5_    59     1.09519   109.99330   -39.97644
   74    71 S   CZ   _C5_    60     1.46936   111.53229    84.95902
   75    74 S   CZ   _C4_    61     1.20059   179.70658   -88.94441
   76    75 S   HC   _H3_    62     1.06495   179.67076    19.17295
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  16  12   4  11   5   4  10   8   5   4  11   7
   1   5   4   3  10   4   2   1   1  13  11   6   3   7   1   1
   6   4   3   6   2   5   5   3   2   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    48    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    49    40    50    55    56    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    48    49    40    41    42    44    50    51    52    55    56    57  
   35    36  
   36  
    0  
   38    39    43    47    48    49    40    41    42    44    45    46    50    55    56    57  
   39    43    47    53    63    48    49    40    41    42    44    55  
   43    47    48    40  
   41    42    44    45    46    50    51    52    55    43    48  
   42    44    45    46    50  
   44    45    46    50  
   47    53    54    58    60    63    64    48    49    55  
   45    46    50    51    52    55    56    57  
   46    50    51    52    55  
   50    51    52    55  
   53    54    58    59    60    61    63    64    70    48    49  
   49    50    55    56    57    53    63  
   55  
   51    52    55    56    57  
   52    55    56    57  
   55    56    57  
   54    58    59    60    63    64    62    68    70    71  
   58    59    63    70  
   56    57  
   57  
    0  
   59    60    61    63    62    65    68    69    70    71    72    73    74  
   60    61    63    64    62    65    66    67    68    70    71  
   61    63    64    62    65    70  
   63    64    62  
   65    66    67    68    69    70    63  
   64  
    0  
   66    67    68    69    70    71  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74  
   70    71  
   71    72    73    74    75  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.484200   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   65   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   71   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   75   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   76   2.4200   0.0300   0.200000   1.3810   1.2100   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    48   317.000  1.522
   33    55   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    43   400.000  1.384
   43    47   360.000  1.404
   43    48   490.000  1.335
   47    53   469.000  1.400
   47    63   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   469.000  1.400
   58    70   360.000  1.404
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   420.000  1.354
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.522
   68    69   570.000  1.229
   68    70   490.000  1.335
   70    71   337.000  1.449
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   390.000  1.470
   74    75   985.000  1.221
   75    76   410.000  1.067
   48    49   570.000  1.229
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    70.00000  112.33000
   29    33    55    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    48    43    70.00000  116.60000
   33    48    49    80.00000  120.40000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    43    75.00000  120.83300
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    44    70.00000  112.02700
   38    43    47    70.00000  119.74000
   38    43    48    70.00000  120.89900
   43    38    39   110.00000  107.01400
   43    47    53    70.00000  119.01900
   43    47    63    70.00000  119.01900
   43    48    49    80.00000  122.90000
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   47    63    60    63.00000  120.00000
   47    63    64    80.00000  120.00000
   53    58    59    63.00000  120.00000
   53    58    70    70.00000  119.01900
   58    53    54    35.00000  120.00000
   58    59    60    63.00000  120.00000
   58    59    62    70.00000  120.00000
   58    70    68    65.00000  121.96500
   58    70    71    70.00000  121.06000
   59    60    61    35.00000  120.00000
   59    60    63    63.00000  120.00000
   59    62    65    75.00000  111.00000
   60    63    64    80.00000  120.00000
   63    47    53    63.00000  120.00000
   63    60    61    35.00000  120.00000
   62    59    60    70.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    90.00000  108.55600
   65    68    69    80.00000  120.40000
   65    68    70    70.00000  116.60000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    50.00000  121.90000
   70    58    59    70.00000  119.01900
   70    68    69    80.00000  122.90000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    80.00000  111.92500
   71    74    75    30.00000  179.48800
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  108.50000
   74    71    73    35.00000  108.50000
   74    75    76    20.00000  179.85100
   48    33    37    70.00000  115.00700
   48    43    47    65.00000  121.96500
   40    37    38    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   52    50    51    33.00000  107.80000
   55    33    37    70.00000  112.02700
   55    33    48    63.00000  111.10000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    48    43   0.00000  1.0 1.0
   29    33    48    49   0.30150 -1.0 2.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37   -38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33   -48    43   0.00000  1.0 1.0
   37    33    48    49   0.30150 -1.0 2.0
   37    33    55    50   0.34400  1.0 1.0
   37    33    55    50   0.09450 -1.0 2.0
   37    33    55    50   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    38    43    47  -0.94800  1.0 1.0
   37    38    43    47   2.88400 -1.0 2.0
   37    38   -43    48  -0.18900  1.0 1.0
   37    38   -43    48   1.70900 -1.0 2.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40   -44    50   0.34400  1.0 1.0
   37    40   -44    50   0.09450 -1.0 2.0
   37    40   -44    50   0.11100  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    43    47    53   0.70250  1.0 1.0
   38    43    47    53   1.56150 -1.0 2.0
   38    43    47    63   0.70250  1.0 1.0
   38    43    47    63   1.56150 -1.0 2.0
   38    43   -48    33   0.67100  1.0 1.0
   38    43   -48    33   1.42150 -1.0 2.0
   38    43   -48    33   0.18700  1.0 3.0
   38    43    48    49   2.67200 -1.0 2.0
   39    38    43    47   1.00000 -1.0 2.0
   39    38    43    48  -0.56400  1.0 1.0
   39    38    43    48   0.77500 -1.0 2.0
   39    38    43    48   0.18700  1.0 3.0
   43    47    53    54   3.62500 -1.0 2.0
   43    47    53    58   3.62500 -1.0 2.0
   43    47    63    60   3.62500 -1.0 2.0
   43    47    63    64   3.62500 -1.0 2.0
   47    43    48    33   0.76000  1.0 1.0
   47    43    48    33   4.11600 -1.0 2.0
   47    43    48    49   0.04000 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53    58    70   3.62500 -1.0 2.0
   53    47    63    60   3.62500 -1.0 2.0
   53    47    63    64   3.62500 -1.0 2.0
   53    58   -59    60   3.62500 -1.0 2.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58    70    68   1.00100  1.0 1.0
   53    58    70    68   0.85050 -1.0 2.0
   53    58    70    71   0.81400  1.0 1.0
   53    58    70    71   1.55550 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    70   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    60    63   3.62500 -1.0 2.0
   58    59    62    65   1.63200 -1.0 2.0
   58    70    71    72   0.00000  1.0 1.0
   58    70    71    73   0.00000  1.0 1.0
   58    70    71    74   0.17850 -1.0 2.0
   59    58    70    68   1.00100  1.0 1.0
   59    58    70    68   0.85050 -1.0 2.0
   59    58    70    71   0.81400  1.0 1.0
   59    58    70    71   1.55550 -1.0 2.0
   59    60   -63    47   3.62500 -1.0 2.0
   59    60    63    64   3.62500 -1.0 2.0
   59    62    65    66   0.08050  1.0 3.0
   59    62    65    67   0.08050  1.0 3.0
   59    62   -65    68  -0.25600  1.0 1.0
   59    62   -65    68  -0.40050 -1.0 2.0
   59    62   -65    68   0.34700  1.0 3.0
   60    59    62    65   1.63200 -1.0 2.0
   61    60    63    47   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   63    47    53    54   3.62500 -1.0 2.0
   63    47   -53    58   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    63   3.62500 -1.0 2.0
   62    65    68    69   0.30150 -1.0 2.0
   62    65    68    70   0.00000  1.0 1.0
   65    68   -70    58   0.76000  1.0 1.0
   65    68   -70    58   4.11600 -1.0 2.0
   65    68    70    71   1.49850  1.0 1.0
   65    68    70    71   1.53950 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    71    72   0.00000  1.0 1.0
   68    70    71    73   0.00000  1.0 1.0
   68    70    71    74  -0.42300  1.0 1.0
   68    70    71    74  -0.07000 -1.0 2.0
   68    70    71    74   0.04150  1.0 3.0
   69    68    70    58   0.04000 -1.0 2.0
   69    68    70    71   3.04450 -1.0 2.0
   70    58    59    60   3.62500 -1.0 2.0
   70    58   -59    62   3.62500 -1.0 2.0
   70    71    74    75   0.00000  1.0 1.0
   71    74    75    76   0.00000  1.0 1.0
   72    71    74    75   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
   48    33   -37    38  -0.51250  1.0 1.0
   48    33   -37    38  -0.88800 -1.0 2.0
   48    33   -37    38   0.08850  1.0 3.0
   48    33    37    40   0.17250  1.0 1.0
   48    33    37    40  -0.04100 -1.0 2.0
   48    33    37    40  -0.33850  1.0 3.0
   48    33    55    50  -0.95700  1.0 1.0
   48    33    55    50  -0.18200 -1.0 2.0
   48    33    55    50   0.29450  1.0 3.0
   48    33    55    56  -0.11250  1.0 3.0
   48    33    55    57  -0.11250  1.0 3.0
   48    43    47    53   1.00100  1.0 1.0
   48    43    47    53   0.85050 -1.0 2.0
   48    43    47    63   1.00100  1.0 1.0
   48    43    47    63   0.85050 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    55   0.56750  1.0 1.0
   40    44    50    55  -0.07550 -1.0 2.0
   40    44    50    55   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    46   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   44    50   -55    33   0.56750  1.0 1.0
   44    50   -55    33  -0.07550 -1.0 2.0
   44    50   -55    33   0.20000  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    55   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    55   0.15000  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   52    50    55    33   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   55    33    37    38   0.09850  1.0 1.0
   55    33    37    38   0.15250 -1.0 2.0
   55    33    37    38  -0.50650  1.0 3.0
   55    33   -37    40   0.46850  1.0 1.0
   55    33   -37    40   0.08550 -1.0 2.0
   55    33   -37    40   0.09800  1.0 3.0
   55    33    48    43   1.39750  1.0 1.0
   55    33    48    43  -0.07950 -1.0 2.0
   55    33    48    43  -0.18750  1.0 3.0
   55    33    48    49   0.30150 -1.0 2.0
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    40    37    38   1.10000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   47    48    43    38   1.00000 -1.0 2.0
   53    63    47    43   4.00000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   59    70    58    53   4.00000 -1.0 2.0
   60    62    59    58   4.00000 -1.0 2.0
   63    61    60    59   1.10000 -1.0 2.0
   60    64    63    47   4.00000 -1.0 2.0
   65    70    68    69  10.50000 -1.0 2.0
   71    68    70    58   1.00000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
END
