* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    144    233     424
    1     0 S   NP   _N1_     1    29.14244    96.01957   -20.55682
    2     1 S   H    _HN1     2     1.02777    91.89649  -102.00411
    3     1 S   H    _H1_     3     1.02948    77.03947     6.43431
    4     1 S   H    _H2_     4     1.02828    41.15259   142.56258
    5     1 S   CT   _CA1     5     1.50075   149.50522   114.73662
    6     5 S   HC   _HA1     6     1.09576   105.22862    78.37385
    7     5 S   CO3  _C1_     7     1.53812   112.49753   -41.90456
    8     7 S   O2Z  _O11     8     1.26375   114.98165   -41.94966
    9     7 S   O2Z  _O12     9     1.26229   114.95922   137.27462
   10     5 S   CT   _CB1    10     1.53101   107.45702  -163.57341
   11    10 S   HC   HB11    11     1.09822   109.50854   -49.75060
   12    10 S   HC   HB12    12     1.09808   110.44373    66.96902
   13    10 S   CT   _CG1    13     1.52884   112.38828  -170.69304
   14    13 S   HC   HG11    14     1.09561   110.47924   -65.03199
   15    13 S   HC   HG12    15     1.09665   109.76039    54.15589
   16    13 S   C    _CD1    16     1.51742   112.48740   174.94367
   17    16 S   O    _OE1    17     1.22692   123.37299     8.80698
   18    16 S   N    _N2_    18     1.38580   111.41811  -171.81839
   19    18 S   H    _HN2    19     1.01559   118.61698     3.45825
   20    18 S   CT1  _CA2    20     1.46081   123.63831   178.72666
   21    20 S   HC   _HA2    21     1.09690   109.30831    -4.49414
   22    20 S   C    _C2_    22     1.53616   108.48923  -120.30756
   23    22 S   O    _O2_    23     1.23059   122.11972  -154.17227
   24    20 S   CT   _CB2    32     1.53474   112.02182   117.86906
   25    24 S   HC   HB21    33     1.09551   110.29919    61.81203
   26    24 S   HC   HB22    34     1.09569   109.95518   179.01245
   27    22 S   N    _N3_    24     1.38254   113.88207    32.48186
   28    27 S   H    _HN3    25     1.01614   119.43257    -1.94742
   29    24 S   S    _SG2    35     1.83161   112.76788   -62.15234
   30    27 S   CT   _CA3    26     1.45265   123.38662   178.79780
   31    30 S   HC   HA31    27     1.09530   107.46269   -69.16429
   32    30 S   HC   HA32    28     1.09562   108.10887    47.39745
   33    29 S   CT   _C18    36     1.82626    99.96037   126.19700
   34    33 S   HC   _H21    37     1.09515   107.61970   165.75302
   35    33 S   HC   _H22    38     1.09440   108.79744    49.83781
   36    30 S   CO3  _C3_    29     1.52970   113.92393   169.53057
   37    36 S   O2Z  _O31    30     1.26378   116.02193     4.60951
   38    36 S   O2Z  _O32    31     1.26414   114.43818  -175.37221
   39    33 S   CT   _C17    39     1.52987   111.42480   -73.99845
   40    39 S   HC   _H19    40     1.09754   109.40157   -64.60975
   41    39 S   HC   _H20    41     1.08490   108.82337    51.39982
   42    39 S   CT   _C6_    42     1.52196   111.87922   174.33926
   43    42 S   HC   _H3_    43     1.09838   108.12778    48.06586
   44    42 S   C    _C7_    44     1.55974   115.95592   166.69430
   45    44 S   O    _O33    45     1.21926   126.07439   -75.32592
   46    44 S   N    _N4_    46     1.42173   106.58574   105.36384
   47    46 S   H    _H9_    47     1.01422   120.95904   179.58741
   48    46 S   C4T  _C8_    48     1.46638   110.90739   -17.21604
   49    48 S   CO4  _C9_    49     1.61357   139.98885   110.81352
   50    49 S   O    _O34    50     1.20461   142.93089    77.32791
   51    42 S   C4T  _C5_    52     1.51626   116.19701   -77.19938
   52    48 S   CT   _C10    57     1.56115   109.29994   -94.68599
   53    52 S   HC   _H4_    58     1.09596   108.96384   139.31656
   54    49 S   O4T  _O35    51     1.42172    87.73044  -110.48902
   55    51 S   CT   _C4_    53     1.55375   109.13646   149.35974
   56    55 S   HC   _H6_    54     1.09488   113.03878   170.21319
   57    55 S   HC   _H7_    55     1.09525   111.79696    49.37370
   58    55 S   HC   _H8_    56     1.09586   109.67563   -70.20535
   59    52 S   CT   _C11    59     1.55841   112.61227  -102.02222
   60    59 S   HC   _H5_    60     1.09630   107.94993   -57.27690
   61    52 S   OH   _O36    74     1.42996   112.89870    20.22001
   62    61 S   HO   _H18    75     0.96803   110.01487    48.68780
   63    59 S   CM   _C16    61     1.51052   112.68828    60.27372
   64    63 S   HC   _H17    62     1.08682   117.54550   -66.50876
   65    63 S   CM   _C15    63     1.34001   123.96899   115.40148
   66    65 S   HC   _H16    64     1.08650   119.09462   178.10060
   67    65 S   CT   _C14    65     1.49762   123.68611    -1.15572
   68    67 S   HC   _H14    66     1.09666   108.18601   108.30672
   69    67 S   HC   _H15    67     1.09599   109.42377  -135.60103
   70    67 S   CT   _C13    68     1.52783   113.59820   -13.58564
   71    70 S   HC   _H12    69     1.09632   109.32905   162.09699
   72    70 S   HC   _H13    70     1.09525   109.57470   -82.12027
   73    59 S   CT   _C12    71     1.54906   111.92420  -172.81845
   74    73 S   HC   _H10    72     1.09887   108.34948   151.69657
   75    73 S   HC   _H11    73     1.09613   110.53212    35.98605
  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   7   5   4   3
   9   5   4   2   1   1  11   5   4  14   7   9   4  11   4  16
   8   3   9  14   6   4   3   2   1   1  14   8   3   1  10   4
   8   4   8   5   4   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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    51  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    54    51    55  
   41    42    43    44    51  
   42    43    44    51  
   43    44    45    46    47    48    49    54    51    55    56    57    58    52  
   44    45    46    48    54    51    55  
   45    46    47    48    49    54    51    55    52  
   46    47    48    51  
   47    48    49    50    54    51    55    52    53    59    61  
   48    49    51    52  
   49    50    54    51    55    56    57    58    52    53    59    60    63    73    61    62  
   50    54    51    55    52    53    59    61  
   54    51    52  
   55    56    57    58    52    53    59    61    54  
   53    59    60    63    64    65    70    73    74    75    61    62    54    55  
   59    60    63    73    61    62  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    0  
   60    63    64    65    66    67    70    71    72    73    74    75    61    62  
   63    64    65    70    73    74    75    61  
   62    63    73  
    0  
   64    65    66    67    68    69    70    73    74    75  
   65    66    67    73  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660   0.164100   1.9750   1.7500   0.005000000  -0.741685710
   49   3.7500   0.1050   0.449400   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.100800   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.338200   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    51   260.000  1.519
   44    45   570.000  1.229
   44    46   490.000  1.335
   46    47   434.000  1.010
   46    48   337.000  1.449
   48    49   255.000  1.551
   48    51   268.000  1.529
   48    52   260.000  1.519
   49    50   570.000  1.229
   49    54   460.000  1.355
   54    51   320.000  1.440
   51    55   260.000  1.519
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   340.000  1.090
   52    59   268.000  1.529
   52    61   320.000  1.410
   59    60   340.000  1.090
   59    63   317.000  1.510
   59    73   268.000  1.529
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   61    62   553.000  0.945
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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    63.00000  111.10000
   39    42    51    70.00000  112.98000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    44    45    80.00000  120.40000
   42    44    46    70.00000  116.60000
   42    51    48    65.00000  119.52000
   42    51    54    50.00000  109.50000
   42    51    55    58.35000  112.70000
   44    42    43    35.00000  109.50000
   44    46    47    35.00000  119.80000
   44    46    48    50.00000  121.90000
   46    44    45    80.00000  122.90000
   46    48    49    80.00000  109.34500
   46    48    51    80.00000  110.05700
   46    48    52    80.00000  110.05700
   48    46    47    38.00000  118.40000
   48    49    50    65.00000  127.62700
   48    49    54   110.00000   93.13000
   48    51    54   110.00000   93.94000
   48    51    55    65.00000  119.52000
   48    52    53    45.00000  111.22300
   48    52    59    70.00000  112.98000
   48    52    61    50.00000  109.50000
   49    54    51   125.00000   91.21600
   54    49    50   100.00000  124.42500
   54    51    55    50.00000  109.50000
   51    42    43    45.00000  111.22300
   51    42    44    63.00000  111.10000
   51    48    49    90.00000   90.40100
   51    55    56    45.00000  111.22300
   51    55    57    45.00000  111.22300
   51    55    58    45.00000  111.22300
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    48    49    63.00000  111.10000
   52    48    51    65.00000  119.52000
   52    59    60    37.50000  110.70000
   52    59    63    70.00000  112.02700
   52    59    73    58.35000  112.70000
   52    61    62    55.00000  108.50000
   59    52    53    37.50000  110.70000
   59    63    64    35.00000  117.00000
   59    63    65    70.00000  124.00000
   59    73    70    58.35000  112.70000
   59    73    74    37.50000  110.70000
   59    73    75    37.50000  110.70000
   63    59    60    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    70.00000  112.02700
   67    65    66    35.00000  117.00000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    59    60    37.50000  110.70000
   73    59    63    70.00000  112.02700
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    59    50.00000  109.50000
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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44  -0.95700  1.0 1.0
   33    39    42    44  -0.18200 -1.0 2.0
   33    39    42    44   0.29450  1.0 3.0
   33    39    42    51   0.31550 -1.0 2.0
   33    39    42    51   0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    44    45   0.30150 -1.0 2.0
   39    42    44    46   1.39750  1.0 1.0
   39    42    44    46  -0.07950 -1.0 2.0
   39    42    44    46  -0.18750  1.0 3.0
   39    42    51    48   0.04050  1.0 1.0
   39    42    51    48   0.63700 -1.0 2.0
   39    42    51    48   0.17650  1.0 3.0
   39    42    51    54   0.62750  1.0 1.0
   39    42    51    54  -0.30950 -1.0 2.0
   39    42    51    54   0.27300  1.0 3.0
   39    42    51    55   0.56750  1.0 1.0
   39    42    51    55  -0.07550 -1.0 2.0
   39    42    51    55   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44  -0.11250  1.0 3.0
   40    39    42    51   0.15000  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44  -0.11250  1.0 3.0
   41    39    42    51   0.15000  1.0 3.0
   42    44    46    47   2.45000 -1.0 2.0
   42    44   -46    48   1.49850  1.0 1.0
   42    44   -46    48   1.53950 -1.0 2.0
   42    51    55    56   0.15000  1.0 3.0
   42    51    55    57   0.15000  1.0 3.0
   42    51    55    58   0.15000  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    51    48   0.00000  1.0 1.0
   43    42    51    54   0.23400  1.0 3.0
   43    42    51    55   0.15000  1.0 3.0
   44    42   -51    48  -0.95700  1.0 1.0
   44    42   -51    48  -0.18200 -1.0 2.0
   44    42   -51    48   0.29450  1.0 3.0
   44    42    51    54  -0.09450  1.0 1.0
   44    42    51    54  -1.12950 -1.0 2.0
   44    42    51    54   0.54000  1.0 3.0
   44    42    51    55  -0.95700  1.0 1.0
   44    42    51    55  -0.18200 -1.0 2.0
   44    42    51    55   0.29450  1.0 3.0
   44    46    48    49  -0.42300  1.0 1.0
   44    46    48    49  -0.07000 -1.0 2.0
   44    46    48    49   0.04150  1.0 3.0
   44    46   -48    51  -0.43950  1.0 1.0
   44    46   -48    51  -0.08100 -1.0 2.0
   44    46   -48    51   0.03350  1.0 3.0
   44    46    48    52  -0.43950  1.0 1.0
   44    46    48    52  -0.08100 -1.0 2.0
   44    46    48    52   0.03350  1.0 3.0
   45    44    46    47   2.45000 -1.0 2.0
   45    44    46    48   3.04450 -1.0 2.0
   46    48    49    50   0.30150 -1.0 2.0
   46    48    49    54   0.40000  1.0 3.0
   46    48   -51    42   0.43900  1.0 1.0
   46    48   -51    42   0.49100 -1.0 2.0
   46    48   -51    42   0.28400  1.0 3.0
   46    48   -51    54   1.12100  1.0 1.0
   46    48   -51    54  -0.16500 -1.0 2.0
   46    48    51    55   0.43900  1.0 1.0
   46    48    51    55   0.49100 -1.0 2.0
   46    48    51    55   0.28400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    59   0.43900  1.0 1.0
   46    48    52    59   0.49100 -1.0 2.0
   46    48    52    59   0.28400  1.0 3.0
   46    48    52    61   2.76900  1.0 1.0
   46    48    52    61  -0.24350 -1.0 2.0
   46    48    52    61  -0.78250  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   47    46    48    52   0.00000  1.0 1.0
   48    49   -54    51   0.00000  1.0 1.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    57   0.00000  1.0 1.0
   48    51    55    58   0.00000  1.0 1.0
   48    52    59    60   0.15000  1.0 3.0
   48    52    59    63   0.34400  1.0 1.0
   48    52    59    63   0.09450 -1.0 2.0
   48    52    59    63   0.11100  1.0 3.0
   48    52    59    73   0.31550 -1.0 2.0
   48    52    59    73   0.11250  1.0 3.0
   48    52    61    62  -0.11600  1.0 1.0
   48    52    61    62  -0.09450 -1.0 2.0
   48    52    61    62   0.21250  1.0 3.0
   49    48    51    42  -0.95700  1.0 1.0
   49    48    51    42  -0.18200 -1.0 2.0
   49    48    51    42   0.29450  1.0 3.0
   49    48   -51    54   0.00000  1.0 1.0
   49    48    51    55  -0.95700  1.0 1.0
   49    48    51    55  -0.18200 -1.0 2.0
   49    48    51    55   0.29450  1.0 3.0
   49    48    52    53  -0.11250  1.0 3.0
   49    48    52    59  -0.95700  1.0 1.0
   49    48    52    59  -0.18200 -1.0 2.0
   49    48    52    59   0.29450  1.0 3.0
   49    48    52    61  -0.09450  1.0 1.0
   49    48    52    61  -1.12950 -1.0 2.0
   49    48    52    61   0.54000  1.0 3.0
   49    54   -51    42  -0.25900  1.0 1.0
   49    54   -51    42  -0.47000 -1.0 2.0
   49    54   -51    42   0.11750  1.0 3.0
   49    54   -51    48   0.00000  1.0 1.0
   49    54   -51    55  -0.25900  1.0 1.0
   49    54   -51    55  -0.47000 -1.0 2.0
   49    54   -51    55   0.11750  1.0 3.0
   50    49    54    51   3.00000 -1.0 2.0
   54    51    55    56   0.23400  1.0 3.0
   54    51    55    57   0.23400  1.0 3.0
   54    51    55    58   0.23400  1.0 3.0
   51    42    44    45   0.30150 -1.0 2.0
   51    42   -44    46   1.39750  1.0 1.0
   51    42   -44    46  -0.07950 -1.0 2.0
   51    42   -44    46  -0.18750  1.0 3.0
   51    48   -49    50  -0.11250  1.0 1.0
   51    48   -49    50   0.11400 -1.0 2.0
   51    48   -49    50  -0.28950  1.0 3.0
   51    48   -49    54   0.00000  1.0 1.0
   51    48    52    53   0.00000  1.0 1.0
   51    48    52    59   0.04050  1.0 1.0
   51    48    52    59   0.63700 -1.0 2.0
   51    48    52    59   0.17650  1.0 3.0
   51    48    52    61   0.86500  1.0 1.0
   51    48    52    61  -0.17500 -1.0 2.0
   51    48    52    61   0.20800  1.0 3.0
   52    48    49    50   0.30150 -1.0 2.0
   52    48    49    54   0.36750  1.0 3.0
   52    48    51    42   0.56750  1.0 1.0
   52    48    51    42  -0.07550 -1.0 2.0
   52    48    51    42   0.20000  1.0 3.0
   52    48   -51    54   0.62750  1.0 1.0
   52    48   -51    54  -0.30950 -1.0 2.0
   52    48   -51    54   0.27300  1.0 3.0
   52    48    51    55   0.56750  1.0 1.0
   52    48    51    55  -0.07550 -1.0 2.0
   52    48    51    55   0.20000  1.0 3.0
   52    59    63    64   0.00000  1.0 1.0
   52    59    63    65   0.09850  1.0 1.0
   52    59    63    65   0.15250 -1.0 2.0
   52    59    63    65  -0.50650  1.0 3.0
   52    59    73    70   0.56750  1.0 1.0
   52    59    73    70  -0.07550 -1.0 2.0
   52    59    73    70   0.20000  1.0 3.0
   52    59    73    74   0.15000  1.0 3.0
   52    59    73    75   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    63   0.15000  1.0 3.0
   53    52    59    73   0.15000  1.0 3.0
   53    52    61    62   0.19450  1.0 3.0
   59    52    61    62  -0.11600  1.0 1.0
   59    52    61    62  -0.09450 -1.0 2.0
   59    52    61    62   0.21250  1.0 3.0
   59    63    65    66   7.00000 -1.0 2.0
   59    63    65    67   7.00000 -1.0 2.0
   60    59    63    64   0.33100  1.0 3.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    73    70   0.15000  1.0 3.0
   60    59    73    74   0.15000  1.0 3.0
   60    59    73    75   0.15000  1.0 3.0
   63    59    73    70   0.34400  1.0 1.0
   63    59    73    70   0.09450 -1.0 2.0
   63    59    73    70   0.11100  1.0 3.0
   63    59    73    74   0.15000  1.0 3.0
   63    59    73    75   0.15000  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.00000  1.0 1.0
   63    65   -67    70   0.09850  1.0 1.0
   63    65   -67    70   0.15250 -1.0 2.0
   63    65   -67    70  -0.50650  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    72   0.15000  1.0 3.0
   65    67    70    73   0.34400  1.0 1.0
   65    67    70    73   0.09450 -1.0 2.0
   65    67    70    73   0.11100  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.33100  1.0 3.0
   66    65    67    70   0.00000  1.0 1.0
   67    70   -73    59   0.56750  1.0 1.0
   67    70   -73    59  -0.07550 -1.0 2.0
   67    70   -73    59   0.20000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   71    70    73    59   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   72    70    73    59   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   73    59    63    64   0.00000  1.0 1.0
   73    59   -63    65   0.09850  1.0 1.0
   73    59   -63    65   0.15250 -1.0 2.0
   73    59   -63    65  -0.50650  1.0 3.0
   61    52    59    60   0.23400  1.0 3.0
   61    52    59    63   1.05650  1.0 1.0
   61    52    59    63   0.15600 -1.0 2.0
   61    52    59    63   0.53150  1.0 3.0
   61    52    59    73   0.86500  1.0 1.0
   61    52    59    73  -0.17500 -1.0 2.0
   61    52    59    73   0.20800  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
   42    46    44    45  10.50000 -1.0 2.0
   47    44    46    48   1.00000 -1.0 2.0
   48    54    49    50  10.50000 -1.0 2.0
   59    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
END
