* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    127    196     370
    1     0 S   NP   _N1_     1    28.75546    94.84317   -22.10253
    2     1 S   H    _HN1     2     1.02777    96.52823   -84.24046
    3     1 S   H    _H1_     3     1.02961    85.53718    23.74068
    4     1 S   H    _H2_     4     1.02834    29.66480   160.65675
    5     1 S   CT   _CA1     5     1.50123   139.14567   140.08829
    6     5 S   HC   _HA1     6     1.09577   105.21941    69.87238
    7     5 S   CO3  _C1_     7     1.53774   112.41731   -50.28724
    8     7 S   O2Z  _O11     8     1.26354   114.99962   -43.10895
    9     7 S   O2Z  _O12     9     1.26241   114.91746   136.05983
   10     5 S   CT   _CB1    10     1.53094   107.41868  -172.25314
   11    10 S   HC   HB11    11     1.09824   109.26113   -51.11580
   12    10 S   HC   HB12    12     1.09820   110.43328    65.40653
   13    10 S   CT   _CG1    13     1.53014   112.71714  -172.25514
   14    13 S   HC   HG11    14     1.09595   110.41720   -64.67699
   15    13 S   HC   HG12    15     1.09653   110.00159    54.55305
   16    13 S   C    _CD1    16     1.51809   112.32222   174.83400
   17    16 S   O    _OE1    17     1.22723   123.26557    -2.58921
   18    16 S   N    _N2_    18     1.38644   111.66938   177.74623
   19    18 S   H    _HN2    19     1.01585   119.07124     0.66852
   20    18 S   CT1  _CA2    20     1.46090   123.29948   179.71538
   21    20 S   HC   _HA2    21     1.09561   109.27738    -8.68688
   22    20 S   C    _C2_    22     1.53490   108.65588  -123.78840
   23    22 S   O    _O2_    23     1.23028   122.13830  -147.54690
   24    20 S   CT   _CB2    32     1.53368   111.71388   113.78895
   25    24 S   HC   HB21    33     1.09675   109.42438    60.94006
   26    24 S   HC   HB22    34     1.09501   111.02215   177.84641
   27    22 S   N    _N3_    24     1.38485   113.48332    39.98681
   28    27 S   H    _HN3    25     1.01513   118.92100    -0.88867
   29    24 S   S    _SG2    35     1.82985   114.73933   -58.47404
   30    27 S   CT   _CA3    26     1.45449   123.51880   174.74887
   31    30 S   HC   HA31    27     1.09516   109.34244    22.85508
   32    30 S   HC   HA32    28     1.09497   107.11923   139.90038
   33    29 S   CT   _C16    36     1.81281   100.78900   -66.45855
   34    33 S   HC   _H3_    37     1.09225   113.09407    54.57049
   35    30 S   CO3  _C3_    29     1.52918   112.95102  -100.66421
   36    35 S   O2Z  _O31    30     1.26413   115.34064   -45.83891
   37    35 S   O2Z  _O32    31     1.26340   115.02217   135.01658
   38    33 S   CM   _C15    38     1.48702   112.08173   -73.62325
   39    38 S   HC   _H19    39     1.08285   123.14648    67.33735
   40    38 S   CMA  _C14    40     1.34205   113.21157  -116.18254
   41    40 S   OM   _O34    41     1.25598   131.73515  -175.21844
   42    40 S   N    _N5_    42     1.40219   108.71594     0.66764
   43    42 S   CA   _C11    43     1.44030   129.48636   177.50456
   44    33 S   C    _C17    69     1.51984   109.29645   175.84565
   45    44 S   O    _O33    70     1.22586   123.19398   -60.26629
   46    43 S   CA   _C10    44     1.40301   121.87027   -32.50966
   47    46 S   HA   _H16    45     1.08647   121.34978    -2.60955
   48    46 S   CA   _C9_    46     1.39997   121.33299  -179.87805
   49    48 S   HA   _H15    47     1.08751   118.73050   179.40062
   50    48 S   CA   _C8_    48     1.39745   120.78853    -0.22029
   51    50 S   CA   _C13    49     1.39752   118.36109     0.87626
   52    51 S   HA   _H18    50     1.08750   120.46616   179.78971
   53    50 S   CT   _C7_    53     1.50709   120.79564  -179.45751
   54    53 S   HC   _H13    54     1.09795   109.60489  -148.41644
   55    53 S   HC   _H14    55     1.09795   109.59759   -31.78804
   56    43 S   CA   _C12    51     1.40363   120.72145   148.23211
   57    56 S   HA   _H17    52     1.08663   121.26467    -2.63841
   58    53 S   NP   _N4_    56     1.54832   117.54149    89.89986
   59    58 S   CT   _C4_    57     1.52398   111.27390   -61.08717
   60    59 S   HC   _H4_    58     1.09377   108.46740   -54.12634
   61    59 S   HC   _H5_    59     1.09297   108.95143    66.74376
   62    59 S   HC   _H6_    60     1.09437   108.37085  -173.96071
   63    58 S   CT   _C5_    61     1.52374   111.26584    61.12798
   64    63 S   HC   _H7_    62     1.09378   108.46863    54.20894
   65    63 S   HC   _H8_    63     1.09436   108.37763   174.04971
   66    63 S   HC   _H9_    64     1.09299   108.94816   -66.63891
   67    58 S   CT   _C6_    65     1.52993   107.98117  -179.98022
   68    67 S   HC   _H10    66     1.09402   108.41503   -60.04883
   69    67 S   HC   _H11    67     1.09403   108.41505    60.07262
   70    67 S   HC   _H12    68     1.09415   108.56599  -180.00000
  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   8   5   4   3
   9   6   2   1   1   7   4   7   3   9  11   3   1   8   4   9
   3  11   7   3  16   5   4   1   1  12  11   4   3   2   7   3
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    42    44    45  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    44  
   41    42    43    46    56    44    45  
   42    43    44  
   43    46    47    48    51    56    57    44    45  
   46    47    48    49    50    51    52    56    57    44    45  
   45    46    56  
    0  
   47    48    49    50    51    56    57    53  
   48    49    50    56  
   49    50    51    52    56    53    54    55    58  
   50    51    53  
   51    52    56    57    53    54    55    58    59    63    67  
   52    56    57    53    54    55    58  
   56    57    53  
   54    55    58    59    60    61    62    63    64    65    66    67    68    69    70    56  
   55    58    59    63    67  
   58    59    63    67  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69    70  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    67  
   62    63    67  
   63    67  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.484200   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   59   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    44   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   400.000  1.384
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    56   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   469.000  1.400
   50    53   317.000  1.510
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   367.000  1.471
   58    59   367.000  1.471
   58    63   367.000  1.471
   58    67   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   44    45   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    44    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    44    42    70.00000  116.60000
   33    44    45    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    75.00000  120.83300
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  119.74000
   40    42    44    70.00000  120.89900
   42    40    41   110.00000  107.01400
   42    43    46    70.00000  119.01900
   42    43    56    70.00000  119.01900
   42    44    45    80.00000  122.90000
   43    46    47    35.00000  120.00000
   43    46    48    63.00000  120.00000
   43    56    51    63.00000  120.00000
   43    56    57    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    63.00000  120.00000
   48    50    53    70.00000  120.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    56    63.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    75.00000  110.83300
   51    56    57    35.00000  120.00000
   56    43    46    63.00000  120.00000
   56    51    52    35.00000  120.00000
   53    50    51    70.00000  120.00000
   53    58    59    75.00000  113.01200
   53    58    63    75.00000  113.01200
   53    58    67    75.00000  113.01200
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    58    59    75.00000  113.01200
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    58    59    75.00000  113.01200
   67    58    63    75.00000  113.01200
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   44    33    34    35.00000  109.50000
   44    33    38    70.00000  115.00700
   44    42    43    65.00000  121.96500
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    44    42   0.00000  1.0 1.0
   29    33    44    45   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    44    42   0.00000  1.0 1.0
   34    33    44    45   0.00000  1.0 1.0
   38    33   -44    42   0.00000  1.0 1.0
   38    33    44    45   0.30150 -1.0 2.0
   38    40    42    43  -0.94800  1.0 1.0
   38    40    42    43   2.88400 -1.0 2.0
   38    40   -42    44  -0.18900  1.0 1.0
   38    40   -42    44   1.70900 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    46   0.70250  1.0 1.0
   40    42    43    46   1.56150 -1.0 2.0
   40    42    43    56   0.70250  1.0 1.0
   40    42    43    56   1.56150 -1.0 2.0
   40    42   -44    33   0.67100  1.0 1.0
   40    42   -44    33   1.42150 -1.0 2.0
   40    42   -44    33   0.18700  1.0 3.0
   40    42    44    45   2.67200 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    44  -0.56400  1.0 1.0
   41    40    42    44   0.77500 -1.0 2.0
   41    40    42    44   0.18700  1.0 3.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    48   3.62500 -1.0 2.0
   42    43    56    51   3.62500 -1.0 2.0
   42    43    56    57   3.62500 -1.0 2.0
   43    42    44    33   0.76000  1.0 1.0
   43    42    44    33   4.11600 -1.0 2.0
   43    42    44    45   0.04000 -1.0 2.0
   43    46    48    49   3.62500 -1.0 2.0
   43    46    48    50   3.62500 -1.0 2.0
   46    43    56    51   3.62500 -1.0 2.0
   46    43    56    57   3.62500 -1.0 2.0
   46    48   -50    51   3.62500 -1.0 2.0
   46    48    50    53   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50    51    56   3.62500 -1.0 2.0
   48    50    53    54   0.00000  1.0 1.0
   48    50    53    55   0.00000  1.0 1.0
   48    50    53    58  -0.46400 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    53   3.62500 -1.0 2.0
   50    51   -56    43   3.62500 -1.0 2.0
   50    51    56    57   3.62500 -1.0 2.0
   50    53    58    59   0.03550  1.0 1.0
   50    53    58    59   0.09800 -1.0 2.0
   50    53    58    63   0.03550  1.0 1.0
   50    53    58    63   0.09800 -1.0 2.0
   50    53    58    67   0.03550  1.0 1.0
   50    53    58    67   0.09800 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    58  -0.46400 -1.0 2.0
   52    51    56    43   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   56    43    46    47   3.62500 -1.0 2.0
   56    43   -46    48   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    56   3.62500 -1.0 2.0
   53    58    59    60   0.15000  1.0 3.0
   53    58    59    61   0.15000  1.0 3.0
   53    58    59    62   0.15000  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    66   0.15000  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   63    58    59    60   0.15000  1.0 3.0
   63    58    59    61   0.15000  1.0 3.0
   63    58    59    62   0.15000  1.0 3.0
   63    58    67    68   0.15000  1.0 3.0
   63    58    67    69   0.15000  1.0 3.0
   63    58    67    70   0.15000  1.0 3.0
   67    58    59    60   0.15000  1.0 3.0
   67    58    59    61   0.15000  1.0 3.0
   67    58    59    62   0.15000  1.0 3.0
   67    58    63    64   0.15000  1.0 3.0
   67    58    63    65   0.15000  1.0 3.0
   67    58    63    66   0.15000  1.0 3.0
   44    33    38    39   0.00000  1.0 1.0
   44    33   -38    40  -0.51250  1.0 1.0
   44    33   -38    40  -0.88800 -1.0 2.0
   44    33   -38    40   0.08850  1.0 3.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    56   1.00100  1.0 1.0
   44    42    43    56   0.85050 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    44    42    40   1.00000 -1.0 2.0
   46    56    43    42   4.00000 -1.0 2.0
   48    47    46    43   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   51    53    50    48   4.00000 -1.0 2.0
   56    52    51    50   1.10000 -1.0 2.0
   51    57    56    43   1.10000 -1.0 2.0
   33    42    44    45  10.50000 -1.0 2.0
END
