* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    122    191     352
    1     0 S   NP   _N1_     1    28.93444    96.15686   -21.28029
    2     1 S   H    _HN1     2     1.02854    78.31379     0.77050
    3     1 S   H    _H1_     3     1.02960    37.50677   141.02615
    4     1 S   H    _H2_     4     1.02796    95.50818  -106.75633
    5     1 S   CT   _CA1     5     1.50528   144.66476   111.21486
    6     5 S   HC   _HA1     6     1.09639   104.53648    82.30254
    7     5 S   CO3  _C1_     7     1.54381   110.81581   -33.57910
    8     7 S   O2Z  _O11     8     1.26001   116.70989  -118.19566
    9     7 S   O2Z  _O12     9     1.26542   113.76028    60.39050
   10     5 S   CT   _CB1    10     1.53103   106.98175  -161.69549
   11    10 S   HC   HB11    11     1.09838   109.86017   -42.47585
   12    10 S   HC   HB12    12     1.09772   110.30292    74.20295
   13    10 S   CT   _CG1    13     1.52995   112.34124  -163.02641
   14    13 S   HC   HG11    14     1.09325   110.94064   -58.53299
   15    13 S   HC   HG12    15     1.09563   109.55684    60.49574
   16    13 S   C    _CD1    16     1.51714   112.28282  -179.80617
   17    16 S   O    _OE1    17     1.22754   123.15490    -4.11652
   18    16 S   N    _N2_    18     1.38724   111.89966   176.86032
   19    18 S   H    _HN2    19     1.01624   119.04105     0.18767
   20    18 S   CT1  _CA2    20     1.46258   123.01468   176.42752
   21    20 S   HC   _HA2    21     1.09720   109.30167     0.79031
   22    20 S   C    _C2_    22     1.53523   108.54053  -114.76686
   23    22 S   O    _O2_    23     1.23054   122.21231  -148.88823
   24    20 S   CT   _CB2    32     1.53340   112.04995   122.75807
   25    24 S   HC   HB21    33     1.09337   109.94064    63.26529
   26    24 S   HC   HB22    34     1.09560   110.15098  -179.46259
   27    22 S   N    _N3_    24     1.38306   113.75354    38.27607
   28    27 S   H    _HN3    25     1.01592   119.52410    -2.32566
   29    24 S   S    _SG2    35     1.82861   111.85166   -60.50742
   30    27 S   CT   _CA3    26     1.45292   123.25597   177.76244
   31    30 S   HC   HA31    27     1.09535   107.44259   -68.55111
   32    30 S   HC   HA32    28     1.09561   108.08479    47.95291
   33    29 S   CT   _C19    36     1.83477   100.34103   133.46855
   34    33 S   F    F1__    37     1.36580   108.03669    55.41645
   35    33 S   F    F2__    38     1.36639   107.58007   167.94633
   36    30 S   CO3  _C3_    29     1.52963   114.05111   170.09879
   37    36 S   O2Z  _O31    30     1.26375   116.05588     3.62461
   38    36 S   O2Z  _O32    31     1.26405   114.43424  -176.18869
   39    33 S   CA   _C15    39     1.51309   112.14401   -69.57584
   40    39 S   CA   _C14    40     1.41568   120.19347   -70.11637
   41    40 S   HA   _H10    41     1.08855   119.94731    -1.22653
   42    40 S   CA   _C13    42     1.39900   121.38385   178.08511
   43    42 S   HA   _H9_    43     1.08474   120.54752  -179.59170
   44    42 S   CA   _C12    44     1.38118   118.11979    -0.30519
   45    44 S   CA   _C17    45     1.39162   120.45127     2.11183
   46    39 S   CA   _C16    46     1.40381   120.31426   109.69539
   47    46 S   HA   _H11    47     1.08512   121.35465     1.09682
   48    45 S   N    _N4_    48     1.38944   110.05120   178.71778
   49    48 S   H    _H12    49     1.01235   124.10522   179.84174
   50    48 S   C    _C18    50     1.39897   111.30686     0.57027
   51    50 S   O    _O34    51     1.22208   126.64929  -179.81762
   52    44 S   CT   _C11    52     1.51026   129.83987  -179.30790
   53    52 S   F    F3__    53     1.37017   109.90638   -65.47748
   54    52 S   CA   _C10    54     1.52909   113.78709    60.96647
   55    54 S   CA   _C9_    55     1.40851   117.79934  -119.04956
   56    55 S   HA   _H8_    56     1.08819   119.95559     0.43611
   57    55 S   CA   _C8_    57     1.39425   120.88502  -179.41717
   58    57 S   Cl   Cl1_    58     1.72175   119.87037   179.48948
   59    57 S   CA   _C7_    59     1.38900   120.34608    -0.38410
   60    59 S   HA   _H7_    60     1.08668   120.90239  -179.73312
   61    59 S   CA   _C6_    61     1.39490   119.69657     0.03426
   62    61 S   HA   _H6_    62     1.08608   117.44687  -179.32045
   63    54 S   CA   _C5_    63     1.41465   123.68137    61.13276
   64    63 S   OS   _O33    64     1.37164   116.75268    -1.21627
   65    64 S   CT   _C4_    65     1.42247   117.66202   169.39728
   66    65 S   HC   _H3_    66     1.09421   107.69350  -174.28221
   67    65 S   HC   _H4_    67     1.09334   110.90275    68.16203
   68    65 S   HC   _H5_    68     1.09492   111.34631   -56.35958
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   9   3  12   9   5   1   6
   3   6   3   8   3  10   8   4   6   3   5   3   4   2   5   4
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    47  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48  
   41    42    43    44    45    46    47    52  
   42    43    44    46  
   43    44    45    46    48    50    52    53    54  
   44    45    52  
   45    46    47    48    49    50    51    52    53    54    55    63  
   46    47    48    49    50    51    52    53    54  
   47    48    49    50    52  
   48  
   49    50    51    52    53    54  
   50    51    52  
   51    52    53    54    55    63  
   52    53    54  
   53    54    55    56    57    61    63    64  
   54    55    63  
   55    56    57    58    59    61    62    63    64    65  
   56    57    58    59    60    61    63    64  
   57    58    59    63  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65  
   63    64  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.006800   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.233600   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   54   3.5500   0.0700  -0.006800   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.110000   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    46   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    52   317.000  1.510
   45    46   469.000  1.400
   45    48   360.000  1.404
   46    47   367.000  1.080
   48    49   434.000  1.010
   48    50   490.000  1.335
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   367.000  1.332
   52    54   317.000  1.510
   54    55   469.000  1.400
   54    63   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   300.000  1.725
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   450.000  1.364
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    46    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    46    45    63.00000  120.00000
   39    46    47    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    52    70.00000  120.00000
   44    42    43    35.00000  120.00000
   44    45    46    63.00000  120.00000
   44    45    48    70.00000  119.01900
   44    52    50    70.00000  109.44300
   44    52    53    50.00000  109.50000
   44    52    54    70.00000  112.04700
   45    46    47    35.00000  120.00000
   45    48    49    45.00000  118.23600
   45    48    50    65.00000  121.96500
   46    39    40    63.00000  120.00000
   48    45    46    70.00000  119.01900
   48    50    51    80.00000  122.90000
   48    50    52    70.00000  116.60000
   50    48    49    35.00000  119.80000
   50    52    53    90.00000  108.61100
   50    52    54    70.00000  109.44300
   52    44    45    70.00000  120.00000
   52    50    51    80.00000  120.40000
   52    54    55    70.00000  120.00000
   52    54    63    70.00000  120.00000
   54    52    53    50.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    57    63.00000  120.00000
   54    63    61    63.00000  120.00000
   54    63    64    70.00000  120.00000
   55    57    58    75.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    75.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    70.00000  120.00000
   63    54    55    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    75.00000  111.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    46  -0.16000  1.0 1.0
   29    33    39    46  -0.03200 -1.0 2.0
   29    33    39    46   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    46    45   3.62500 -1.0 2.0
   33    39    46    47   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    46    45   3.62500 -1.0 2.0
   40    39    46    47   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    52   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    52    50   0.04300 -1.0 2.0
   42    44    52    53   0.00000  1.0 1.0
   42    44    52    54   0.04300 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    52   3.62500 -1.0 2.0
   44    45   -46    39   3.62500 -1.0 2.0
   44    45    46    47   3.62500 -1.0 2.0
   44    45    48    49   0.97800 -1.0 2.0
   44    45   -48    50   1.00100  1.0 1.0
   44    45   -48    50   0.85050 -1.0 2.0
   44    52    54    55   0.04300 -1.0 2.0
   44    52    54    63   0.04300 -1.0 2.0
   45    44   -52    50   0.04300 -1.0 2.0
   45    44    52    53   0.00000  1.0 1.0
   45    44    52    54   0.04300 -1.0 2.0
   45    48    50    51   0.04000 -1.0 2.0
   45    48   -50    52   0.76000  1.0 1.0
   45    48   -50    52   4.11600 -1.0 2.0
   46    39    40    41   3.62500 -1.0 2.0
   46    39   -40    42   3.62500 -1.0 2.0
   46    45    48    49   0.97800 -1.0 2.0
   46    45    48    50   1.00100  1.0 1.0
   46    45    48    50   0.85050 -1.0 2.0
   48    45    46    39   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    50   -52    44   0.00000  1.0 1.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.00000  1.0 1.0
   49    48    50    51   2.45000 -1.0 2.0
   49    48    50    52   2.45000 -1.0 2.0
   50    52    54    55   0.04300 -1.0 2.0
   50    52    54    63   0.04300 -1.0 2.0
   51    50    52    44   0.30150 -1.0 2.0
   51    50    52    53   0.30150 -1.0 2.0
   51    50    52    54   0.30150 -1.0 2.0
   52    44    45    46   3.62500 -1.0 2.0
   52    44   -45    48   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    57   3.62500 -1.0 2.0
   52    54    63    61   3.62500 -1.0 2.0
   52    54    63    64   3.62500 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    63   0.00000  1.0 1.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   54    63    64    65   1.63200 -1.0 2.0
   55    54    63    61   3.62500 -1.0 2.0
   55    54    63    64   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61   -63    54   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   1.63200 -1.0 2.0
   62    61    63    54   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    54    55    56   3.62500 -1.0 2.0
   63    54   -55    57   3.62500 -1.0 2.0
   63    64    65    66   0.08050  1.0 3.0
   63    64    65    67   0.08050  1.0 3.0
   63    64    65    68   0.08050  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
   37    30    36    38  10.50000 -1.0 2.0
   40    46    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    52    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   45    47    46    39   1.10000 -1.0 2.0
   49    50    48    45   1.00000 -1.0 2.0
   48    52    50    51  10.50000 -1.0 2.0
   55    63    54    52   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   59    58    57    55   4.00000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    54   4.00000 -1.0 2.0
END
