* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    28.80056    97.36005   -23.23607
    2     1 S   H    _HN1     2     1.02806   112.04012  -115.80868
    3     1 S   H    _H1_     3     1.02946    69.32218   -13.65348
    4     1 S   H    _H2_     4     1.02820    38.79398   152.73232
    5     1 S   CT   _CA1     5     1.50136   132.97091    85.43518
    6     5 S   HC   _HA1     6     1.09568   105.18206    97.45341
    7     5 S   CO3  _C1_     7     1.53792   112.42603   -22.89157
    8     7 S   O2Z  _O11     8     1.26391   114.99363   -42.84698
    9     7 S   O2Z  _O12     9     1.26212   114.99699   136.13075
   10     5 S   CT   _CB1    10     1.53046   107.38516  -144.44079
   11    10 S   HC   HB11    11     1.09850   109.52920   -47.91348
   12    10 S   HC   HB12    12     1.09809   110.42008    68.73046
   13    10 S   CT   _CG1    13     1.53027   112.55919  -168.72055
   14    13 S   HC   HG11    14     1.09534   110.80267   -66.65587
   15    13 S   HC   HG12    15     1.09634   109.53341    52.66920
   16    13 S   C    _CD1    16     1.51735   111.59768   173.54005
   17    16 S   O    _OE1    17     1.22811   122.83951    22.02154
   18    16 S   N    _N2_    18     1.38637   112.28816  -158.34224
   19    18 S   H    _HN2    19     1.01617   119.14283     1.59912
   20    18 S   CT1  _CA2    20     1.46265   123.07916   176.63396
   21    20 S   HC   _HA2    21     1.09749   109.14035     9.77461
   22    20 S   C    _C2_    22     1.53745   109.05536  -105.65314
   23    22 S   O    _O2_    23     1.23087   122.20802  -150.00309
   24    20 S   CT   _CB2    32     1.53518   111.90771   131.56529
   25    24 S   HC   HB21    33     1.09320   109.48328    60.23759
   26    24 S   HC   HB22    34     1.09370   109.20876   178.56128
   27    22 S   N    _N3_    24     1.38315   113.96121    37.66515
   28    27 S   H    _HN3    25     1.01514   119.65826    -3.74507
   29    24 S   S    _SG2    35     1.83222   111.02279   -62.23312
   30    27 S   CT   _CA3    26     1.45274   123.32231   177.16918
   31    30 S   HC   HA31    27     1.09549   107.60707   -62.06474
   32    30 S   HC   HA32    28     1.09554   107.88722    54.38394
   33    29 S   CT   _C12    36     1.94942   102.41200   164.76850
   34    30 S   CO3  _C3_    29     1.52995   114.02508   176.26079
   35    34 S   O2Z  _O31    30     1.26394   116.09593    -1.50220
   36    34 S   O2Z  _O32    31     1.26430   114.42232   178.50459
   37    33 S   CO4  _C13    37     1.55920   100.18318    67.48317
   38    37 S   O    _O34    38     1.23228   122.37875   -79.09156
   39    33 S   CM   _C14    55     1.56794   108.96011   -53.75558
   40    37 S   CA   _C8_    39     1.48978   119.81257    94.41419
   41    39 S   CO4  _C23    56     1.50695   115.94105   -44.95007
   42    41 S   O    _O36    57     1.22582   123.30710   -23.62327
   43    40 S   CA   _C9_    40     1.39020   120.89817    -5.70427
   44    41 S   CA   _C22    58     1.46461   117.98327   155.06516
   45    43 S   CA   _C4_    41     1.41101   120.58977  -175.50238
   46    45 S   HA   _H4_    42     1.09202   118.64523  -179.88297
   47    43 S   CO4  _C10    50     1.48203   121.04941     5.88506
   48    47 S   O    _O33    51     1.23070   119.75932  -162.77356
   49    44 S   CA   _C17    59     1.37833   118.36435    25.57492
   50    45 S   CA   _C5_    43     1.41111   123.36455    -0.64498
   51    50 S   OM   _O42    44     1.27676   122.89935   179.94065
   52    33 S   CT   _C11    52     1.56653   106.01776  -174.20701
   53    52 S   OM   _O40    53     1.32609   111.74420   176.18797
   54    52 S   HC   _H3_    54     1.10019   107.05095    44.45484
   55    49 S   CA   _C18    60     1.40745   120.28121   179.26671
   56    55 S   HA   _H6_    61     1.09178   118.67468  -179.84298
   57    49 S   CO4  _C16    69     1.46885   119.32995     0.95552
   58    57 S   O    _O35    70     1.22954   118.42883   158.50484
   59    50 S   CA   _C6_    45     1.40846   114.25890    -0.34035
   60    59 S   HA   _H5_    46     1.09167   118.92353  -179.56255
   61    55 S   CA   _C19    62     1.41324   123.01260     0.60587
   62    61 S   OM   _O38    63     1.27665   122.76464   179.43352
   63    39 S   CMA  _C15    71     1.36438   125.21827   140.67744
   64    63 S   OM   _O39    72     1.26503   130.44689     2.61928
   65    40 S   CA   _C7_    47     1.39927   121.37867   177.66888
   66    61 S   CA   _C20    64     1.41139   114.51520    -0.73860
   67    66 S   HA   _H7_    65     1.09152   119.01766  -179.65622
   68    65 S   OH   _O41    48     1.37116   123.53624    -4.12849
   69    68 S   HO   _H9_    49     0.97424   108.48090    -1.07865
   70    44 S   CA   _C21    66     1.39327   122.71877  -155.55824
   71    70 S   OH   _O37    67     1.36813   123.10449     0.52860
   72    71 S   HO   _H8_    68     0.97434   108.65391    -9.25572
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  14   5  14  12  11   4  12  12   9   4   6   3
  11   5   3   3   1   1   9   4   5   2   4   2   5   3   1   1
   2   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    54    39    41    63  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    65    47    48    52    53    54    39    41    42    44    57    63    64  
   35    36  
   36  
    0  
   38    40    43    45    59    65    68    47    52    53    54    39    41    63  
   40    43    65    52    39  
   41    42    44    49    70    57    58    63    64    40    47    52    53    54  
   43    45    46    50    59    60    65    68    69    47    48    52  
   42    44    49    55    66    70    71    57    63    64    52  
   44    49    70    63  
   45    46    50    51    59    65    68    47    48    52    53    54  
   49    55    56    61    66    67    70    71    72    57    58    63  
   46    50    51    59    60    65    47    48    52  
   50    51    59    47  
   48    52    53    54    50    65  
   52    53    54  
   55    56    61    62    66    70    71    57    58    63    64  
   51    59    60    65    68  
   59    60    65  
   53    54    63  
   54  
    0  
   56    61    62    66    67    70    57    58    63  
   61    62    66    57  
   58    63    64    61    70  
   63    64  
   60    65    68    69  
   65    68  
   62    66    67    70    71  
   66    67    70  
   64  
    0  
   68    69  
   67    70    71    72  
   70    71  
   69  
    0  
   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   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    52   268.000  1.529
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   310.000  1.470
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   450.000  1.364
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   570.000  1.307
   52    54   340.000  1.090
   39    41   320.000  1.462
   39    63   465.000  1.376
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    70   469.000  1.400
   49    55   469.000  1.400
   49    57   310.000  1.470
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   450.000  1.364
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   57    58   570.000  1.229
   57    63   270.000  1.476
   63    64   745.000  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  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    63.00000  111.10000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   33    39    41    65.00000  116.34900
   33    39    63    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    65    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  119.52600
   40    65    59    63.00000  120.00000
   40    65    68    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    75.00000  123.78400
   43    47    52    65.00000  115.47100
   45    50    51    70.00000  120.00000
   45    50    59    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    65    63.00000  120.00000
   59    50    51    70.00000  120.00000
   59    65    68    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    68    69    35.00000  113.00000
   47    43    45    60.00000  119.52600
   47    52    53    90.00000  108.74100
   47    52    54    35.00000  109.50000
   52    33    37    63.00000  111.10000
   52    47    48    80.00000  120.40000
   54    52    53    45.00000  125.66300
   39    33    37    70.00000  109.06800
   39    33    52    70.00000  112.02700
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    63    57    65.00000  114.61000
   39    63    64    65.00000  137.10300
   41    44    49    60.00000  119.52600
   41    44    70    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    55    63.00000  120.00000
   44    49    57    60.00000  119.52600
   44    70    66    63.00000  120.00000
   44    70    71    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    61    63.00000  120.00000
   49    57    58    75.00000  123.78400
   49    57    63    60.00000  117.44000
   55    61    62    70.00000  120.00000
   55    61    66    63.00000  120.00000
   61    55    56    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    70    63.00000  120.00000
   66    61    62    70.00000  120.00000
   66    70    71    70.00000  120.00000
   70    44    49    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   57    49    55    60.00000  119.52600
   57    63    64    85.00000  116.28000
   63    39    41    60.00000  125.92000
   63    57    58    80.00000  120.81000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    63   0.42700  1.0 1.0
   29    33    39    63  -0.70350 -1.0 2.0
   29    33    39    63  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    65   2.26350  1.0 1.0
   33    37    40    65   0.76750 -1.0 2.0
   33    37    40    65   0.22500  1.0 3.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    63    57   7.00000 -1.0 2.0
   33    39    63    64   7.00000 -1.0 2.0
   37    33    52    47   0.11950  1.0 1.0
   37    33    52    47   0.20300 -1.0 2.0
   37    33    52    47  -0.70800  1.0 3.0
   37    33    52    53  -0.09450  1.0 1.0
   37    33    52    53  -1.12950 -1.0 2.0
   37    33    52    53   0.54000  1.0 3.0
   37    33    52    54  -0.11250  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    63  -0.51250  1.0 1.0
   37    33    39    63  -0.88800 -1.0 2.0
   37    33    39    63   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    59   3.62500 -1.0 2.0
   37    40    65    68   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    65   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48   1.05000 -1.0 2.0
   40    43    47    52   2.26350  1.0 1.0
   40    43    47    52   0.76750 -1.0 2.0
   40    43    47    52   0.22500  1.0 3.0
   40    65    68    69   0.84100 -1.0 2.0
   43    40    65    59   3.62500 -1.0 2.0
   43    40    65    68   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45   -50    59   3.62500 -1.0 2.0
   43    47   -52    33   0.05850 -1.0 2.0
   43    47   -52    33   0.17250  1.0 3.0
   43    47    52    53   0.65300  1.0 1.0
   43    47    52    53  -0.03850 -1.0 2.0
   43    47    52    53   0.33900  1.0 3.0
   43    47    52    54   0.00000  1.0 1.0
   45    43    47    48   1.05000 -1.0 2.0
   45    43    47    52   2.26350  1.0 1.0
   45    43    47    52   0.76750 -1.0 2.0
   45    43    47    52   0.22500  1.0 3.0
   45    50    59    60   3.62500 -1.0 2.0
   45    50    59    65   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    59   -65    40   3.62500 -1.0 2.0
   50    59    65    68   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    65   3.62500 -1.0 2.0
   59    65    68    69   0.84100 -1.0 2.0
   60    59    65    40   3.62500 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.30150 -1.0 2.0
   48    47    52    54   0.00000  1.0 1.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.05850 -1.0 2.0
   52    33   -37    40   0.17250  1.0 3.0
   52    33    39    41   0.09700  1.0 1.0
   52    33    39    41   0.15600 -1.0 2.0
   52    33    39    41  -0.50800  1.0 3.0
   52    33    39    63   0.09850  1.0 1.0
   52    33    39    63   0.15250 -1.0 2.0
   52    33    39    63  -0.50650  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47  -0.98800  1.0 1.0
   39    33    52    47   0.48800 -1.0 2.0
   39    33    52    47   0.76800  1.0 3.0
   39    33    52    53   0.61850  1.0 1.0
   39    33    52    53  -0.22750 -1.0 2.0
   39    33    52    53   0.15300  1.0 3.0
   39    33    52    54   0.15000  1.0 3.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    70  -0.11500  1.0 1.0
   39    41    44    70   1.10450 -1.0 2.0
   39    41    44    70  -0.48050  1.0 3.0
   41    39    63    57   7.00000 -1.0 2.0
   41    39    63    64   7.00000 -1.0 2.0
   41    44    49    55   3.62500 -1.0 2.0
   41    44   -49    57   3.62500 -1.0 2.0
   41    44    70    66   3.62500 -1.0 2.0
   41    44    70    71   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    70   1.05000 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    61   3.62500 -1.0 2.0
   44    49    57    58   1.05000 -1.0 2.0
   44    49    57    63  -0.11500  1.0 1.0
   44    49    57    63   1.10450 -1.0 2.0
   44    49    57    63  -0.48050  1.0 3.0
   44    70    71    72   0.84100 -1.0 2.0
   49    44    70    66   3.62500 -1.0 2.0
   49    44    70    71   3.62500 -1.0 2.0
   49    55    61    62   3.62500 -1.0 2.0
   49    55   -61    66   3.62500 -1.0 2.0
   49    57   -63    39  -1.65800  1.0 1.0
   49    57   -63    39   0.77650 -1.0 2.0
   49    57    63    64   1.50000 -1.0 2.0
   55    49    57    58   1.05000 -1.0 2.0
   55    49    57    63  -0.11500  1.0 1.0
   55    49    57    63   1.10450 -1.0 2.0
   55    49    57    63  -0.48050  1.0 3.0
   55    61    66    67   3.62500 -1.0 2.0
   55    61    66    70   3.62500 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    66   3.62500 -1.0 2.0
   61    66   -70    44   3.62500 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    44   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    44   -49    55   3.62500 -1.0 2.0
   70    44    49    57   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   57    49    55    61   3.62500 -1.0 2.0
   58    57    63    39   1.00000 -1.0 2.0
   58    57    63    64  -0.11900  1.0 1.0
   58    57    63    64   0.76850 -1.0 2.0
   58    57    63    64   0.14100  1.0 3.0
   63    39    41    42   1.00000 -1.0 2.0
   63    39   -41    44  -1.65800  1.0 1.0
   63    39   -41    44   0.77650 -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  10.50000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   59    51    50    45   4.00000 -1.0 2.0
   65    60    59    50   1.10000 -1.0 2.0
   59    68    65    40   4.00000 -1.0 2.0
   43    52    47    48  10.50000 -1.0 2.0
   33    41    39    63   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    70    44    41   4.00000 -1.0 2.0
   55    57    49    44   4.00000 -1.0 2.0
   61    56    55    49   1.10000 -1.0 2.0
   66    62    61    55   4.00000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   66    71    70    44   4.00000 -1.0 2.0
   49    63    57    58  10.50000 -1.0 2.0
   57    64    63    39   1.10000 -1.0 2.0
END
