* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    128    193     367
    1     0 S   NP   _N1_     1    28.66023    94.74607   -21.66080
    2     1 S   H    _HN1     2     1.02780    92.00055   -76.10124
    3     1 S   H    _H1_     3     1.02960    88.68930    32.17694
    4     1 S   H    _H2_     4     1.02839    30.27551   160.57019
    5     1 S   CT   _CA1     5     1.50099   140.90076   153.86418
    6     5 S   HC   _HA1     6     1.09572   105.26929    62.79852
    7     5 S   CO3  _C1_     7     1.53813   112.36077   -57.49555
    8     7 S   O2Z  _O11     8     1.26359   115.02219   -45.18108
    9     7 S   O2Z  _O12     9     1.26238   114.92322   134.10055
   10     5 S   CT   _CB1    10     1.53104   107.44900  -179.25717
   11    10 S   HC   HB11    11     1.09821   109.43559   -50.76214
   12    10 S   HC   HB12    12     1.09821   110.37823    65.81211
   13    10 S   CT   _CG1    13     1.52996   112.61839  -171.86612
   14    13 S   HC   HG11    14     1.09602   110.39683   -61.68225
   15    13 S   HC   HG12    15     1.09641   110.05570    57.52803
   16    13 S   C    _CD1    16     1.51795   112.31554   177.94939
   17    16 S   O    _OE1    17     1.22712   123.28533    -5.18958
   18    16 S   N    _N2_    18     1.38598   111.57720   174.90807
   19    18 S   H    _HN2    19     1.01591   119.01243     1.61143
   20    18 S   CT1  _CA2    20     1.46230   123.46482  -178.16314
   21    20 S   HC   _HA2    21     1.09729   109.42308   -11.87916
   22    20 S   C    _C2_    22     1.53421   108.39206  -127.62227
   23    22 S   O    _O2_    23     1.23013   122.21949  -146.22788
   24    20 S   CT   _CB2    32     1.53449   111.17627   110.21625
   25    24 S   HC   HB21    33     1.09511   109.44758    54.86683
   26    24 S   HC   HB22    34     1.09489   110.46530   173.59384
   27    22 S   N    _N3_    24     1.38500   113.38248    41.17565
   28    27 S   H    _HN3    25     1.01527   118.91399    -0.69408
   29    24 S   S    _SG2    35     1.82997   111.52179   -66.98019
   30    27 S   CT   _CA3    26     1.45460   123.52339   175.11128
   31    30 S   HC   HA31    27     1.09517   109.33212    22.44321
   32    30 S   HC   HA32    28     1.09497   107.09557   139.46572
   33    29 S   CT   _C17    36     1.85164   100.72524   156.85683
   34    30 S   CO3  _C3_    29     1.52921   113.06074  -101.09984
   35    34 S   O2Z  _O31    30     1.26406   115.38656   -44.62250
   36    34 S   O2Z  _O32    31     1.26352   114.99448   136.30061
   37    33 S   CT   _C13    37     1.53094   108.51601    63.31142
   38    37 S   HC   _H27    38     1.09753   111.53930    46.26823
   39    37 S   HC   _H28    39     1.09738   109.92855   -74.21552
   40    33 S   OS   _O20    66     1.43784   112.84815   -54.54801
   41    37 S   CO4  _C10    40     1.51004   114.58901   166.48104
   42    41 S   O    _O16    41     1.22920   121.08494   153.28495
   43    40 S   CT   _C18    67     1.42165   117.07229   -64.86840
   44    43 S   HC   _H34    68     1.09386   107.70258   176.81531
   45    43 S   HC   _H35    69     1.09266   111.83883    58.56606
   46    43 S   HC   _H36    70     1.09257   111.38141   -65.36415
   47    41 S   OS   _O19    42     1.35225   117.47228   -33.48907
   48    47 S   CT   _C16    43     1.44275   122.28002    27.43984
   49    48 S   HC   _H33    44     1.09641   106.43363    82.90604
   50    33 S   CT   _C14    45     1.53199   108.16654   179.54115
   51    50 S   HC   _H29    46     1.09706   111.76991    61.73166
   52    50 S   HC   _H30    47     1.09973   109.65446   -56.79400
   53    48 S   CM   _C12    48     1.50510   107.10228  -159.91894
   54    53 S   HC   _H26    49     1.08740   116.09739    56.68696
   55    53 S   CM   _C11    50     1.34257   123.41473  -123.95243
   56    55 S   HC   _H25    51     1.08772   119.39969    -0.93503
   57    55 S   CA   _C7_    52     1.47214   124.87309  -179.54243
   58    57 S   CA   _C4_    53     1.41471   118.28413   151.39499
   59    58 S   HA   _H22    54     1.08864   120.23082    -1.61641
   60    58 S   CA   _C5_    55     1.39902   121.30042   178.77188
   61    60 S   HA   _H23    56     1.08409   120.86759   179.62780
   62    60 S   CA   _C8_    57     1.37729   117.70753    -0.52302
   63    62 S   CA   _C9_    58     1.37421   121.60448    -0.17804
   64    57 S   CA   _C6_    59     1.40452   122.48427   -31.12924
   65    64 S   HA   _H24    60     1.08500   121.96995     0.77607
   66    63 S   OS   _O18    61     1.36126   112.31985  -179.55150
   67    66 S   CO   _C15    62     1.44226   100.97228    -0.20174
   68    67 S   HC   _H31    63     1.09609   108.67641  -120.72602
   69    67 S   HC   _H32    64     1.09608   108.66799   121.11537
   70    62 S   OS   _O17    65     1.36036   125.97813  -179.83214
  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  11   6   5   9   6   2   4   2   1   1   8   9
   6   5   2   1   6   3   8   3   9   8   4   7   3   8   7   4
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    50    51    52    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    51    52    53    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    50    51    52    40    43  
   39    41    42    47    50    40  
   41    42    47    50    40  
   43    44    45    46    41    48    50    51    52  
   42    47    48    49    50    53  
   47    48  
   44    45    46    50  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55  
   49    50    51    52    53    54    55    56    57  
   50    51    52    53    54    55  
   51    52    53    54    55  
   52    53  
   53  
   54    55    56    57    58    64  
   55    56    57  
   56    57    58    59    60    63    64    65  
   57    58    64  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63    64    65    70  
   60    61    62    64  
   61    62    63    64    66    67    70  
   62    63    70  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68    69    70  
   65    66    67    70  
   66  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    50   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   53    54   340.000  1.080
   53    55   549.000  1.340
   55    56   340.000  1.080
   55    57   320.000  1.460
   57    58   469.000  1.400
   57    64   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    70   450.000  1.364
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   66    67   320.000  1.380
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   320.000  1.380
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    50    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    50    48    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    85.00000  110.90400
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    53    54    35.00000  117.00000
   48    53    55    70.00000  124.00000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    70.00000  112.02700
   53    55    56    35.00000  120.00000
   53    55    57    60.00000  123.20500
   55    53    54    35.00000  120.00000
   55    57    58    60.00000  120.93500
   55    57    64    60.00000  120.93500
   57    55    56    40.00000  117.26300
   57    58    59    35.00000  120.00000
   57    58    60    63.00000  120.00000
   57    64    63    63.00000  120.00000
   57    64    65    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    70    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    66    70.00000  120.00000
   62    70    67   100.00000  112.36700
   63    64    65    35.00000  120.00000
   63    66    67   100.00000  112.36700
   64    57    58    63.00000  120.00000
   66    63    64    70.00000  120.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    92.60000  111.55000
   69    67    68    33.00000  109.50000
   70    62    63    70.00000  120.00000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   40    33    37    50.00000  109.50000
   40    33    50    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.36750  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33    50    48   0.56750  1.0 1.0
   37    33    50    48  -0.07550 -1.0 2.0
   37    33    50    48   0.20000  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.15000  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41   -47    48   1.63150  1.0 1.0
   37    41   -47    48   2.92000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.82050  1.0 1.0
   41    47    48    53   0.00600 -1.0 2.0
   41    47    48    53   0.04400  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48   -50    33   0.62750  1.0 1.0
   47    48   -50    33  -0.30950 -1.0 2.0
   47    48   -50    33   0.27300  1.0 3.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    53    54   0.00000  1.0 1.0
   47    48    53    55   0.39000  1.0 1.0
   47    48    53    55  -0.05800 -1.0 2.0
   47    48    53    55  -0.55150  1.0 3.0
   48    53    55    56   7.00000 -1.0 2.0
   48    53    55    57   7.00000 -1.0 2.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    55   0.00000  1.0 1.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    41  -0.95700  1.0 1.0
   50    33   -37    41  -0.18200 -1.0 2.0
   50    33   -37    41   0.29450  1.0 3.0
   50    33    40    43   0.06250  1.0 1.0
   50    33    40    43  -0.01100 -1.0 2.0
   50    33    40    43   0.28050  1.0 3.0
   50    48    53    54   0.00000  1.0 1.0
   50    48    53    55   0.09850  1.0 1.0
   50    48    53    55   0.15250 -1.0 2.0
   50    48    53    55  -0.50650  1.0 3.0
   53    48    50    33   0.34400  1.0 1.0
   53    48    50    33   0.09450 -1.0 2.0
   53    48    50    33   0.11100  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    55    57    58   0.15800  1.0 1.0
   53    55    57    58   1.85350 -1.0 2.0
   53    55    57    58  -0.48700  1.0 3.0
   53    55    57    64   0.15800  1.0 1.0
   53    55    57    64   1.85350 -1.0 2.0
   53    55    57    64  -0.48700  1.0 3.0
   54    53    55    56   7.00000 -1.0 2.0
   54    53    55    57   7.00000 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    60   3.62500 -1.0 2.0
   55    57    64    63   3.62500 -1.0 2.0
   55    57    64    65   3.62500 -1.0 2.0
   56    55    57    58   0.56550  1.0 3.0
   56    55    57    64   0.56550  1.0 3.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    62   3.62500 -1.0 2.0
   58    57    64    63   3.62500 -1.0 2.0
   58    57    64    65   3.62500 -1.0 2.0
   58    60   -62    63   3.62500 -1.0 2.0
   58    60    62    70   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    70    67   1.63200 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    70   3.62500 -1.0 2.0
   62    63   -64    57   3.62500 -1.0 2.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63   -66    67   1.63200 -1.0 2.0
   63    62   -70    67   1.63200 -1.0 2.0
   63    66    67    68   0.08050  1.0 3.0
   63    66    67    69   0.08050  1.0 3.0
   63    66   -67    70  -0.25600  1.0 1.0
   63    66   -67    70  -0.40050 -1.0 2.0
   63    66   -67    70   0.34700  1.0 3.0
   64    57    58    59   3.62500 -1.0 2.0
   64    57   -58    60   3.62500 -1.0 2.0
   64    63    66    67   1.63200 -1.0 2.0
   66    63    64    57   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    67   -70    62  -0.25600  1.0 1.0
   66    67   -70    62  -0.40050 -1.0 2.0
   66    67   -70    62   0.34700  1.0 3.0
   68    67    70    62   0.08050  1.0 3.0
   69    67    70    62   0.08050  1.0 3.0
   70    62    63    64   3.62500 -1.0 2.0
   70    62   -63    66   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    50    48   0.62750  1.0 1.0
   40    33    50    48  -0.30950 -1.0 2.0
   40    33    50    48   0.27300  1.0 3.0
   40    33    50    51   0.23400  1.0 3.0
   40    33    50    52   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   48    54    53    55  15.00000 -1.0 2.0
   57    56    55    53  15.00000 -1.0 2.0
   58    64    57    55   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    70    62    60   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   63    65    64    57   1.10000 -1.0 2.0
END
