* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    138    206     402
    1     0 S   NP   _N1_     1    28.52880    95.10813   -23.32938
    2     1 S   H    _HN1     2     1.02961    81.97084    23.13970
    3     1 S   H    _H1_     3     1.02837    29.49897   171.30216
    4     1 S   H    _H2_     4     1.02778   102.29595   -83.99154
    5     1 S   CT   _CA1     5     1.50134   136.07090   134.25631
    6     5 S   HC   _HA1     6     1.09577   105.20141    77.59779
    7     5 S   CO3  _C1_     7     1.53776   112.45191   -42.52988
    8     7 S   O2Z  _O11     8     1.26356   114.99565   -41.95806
    9     7 S   O2Z  _O12     9     1.26243   114.92555   137.16839
   10     5 S   CT   _CB1    10     1.53097   107.41847  -164.52044
   11    10 S   HC   HB11    11     1.09825   109.24856   -50.90937
   12    10 S   HC   HB12    12     1.09817   110.43038    65.61850
   13    10 S   CT   _CG1    13     1.53014   112.72589  -172.03888
   14    13 S   HC   HG11    14     1.09597   110.43392   -65.31122
   15    13 S   HC   HG12    15     1.09659   109.96067    53.90498
   16    13 S   C    _CD1    16     1.51834   112.36617   174.19475
   17    16 S   O    _OE1    17     1.22715   123.26725    -1.31567
   18    16 S   N    _N2_    18     1.38637   111.62055   179.07719
   19    18 S   H    _HN2    19     1.01572   118.97950     1.33925
   20    18 S   CT1  _CA2    20     1.46217   123.45393   179.30423
   21    20 S   HC   _HA2    21     1.09734   109.46030    -2.55535
   22    20 S   C    _C2_    22     1.53505   108.33925  -118.16416
   23    22 S   O    _O2_    23     1.23032   122.21510  -144.50333
   24    20 S   CT   _CB2    32     1.53393   111.50846   119.53141
   25    24 S   HC   HB21    33     1.09579   109.89168    55.89605
   26    24 S   HC   HB22    34     1.09438   109.94030   174.89109
   27    22 S   N    _N3_    24     1.38495   113.50135    42.73914
   28    27 S   H    _HN3    25     1.01499   118.97840    -0.43745
   29    24 S   S    _SG2    35     1.82732   111.59805   -65.34651
   30    27 S   CT   _CA3    26     1.45466   123.52453   175.32999
   31    30 S   HC   HA31    27     1.09515   109.36404    22.13181
   32    30 S   HC   HA32    28     1.09500   107.09180   139.14526
   33    29 S   CT   _C12    36     1.85510   100.11554   165.10552
   34    33 S   HC   _H3_    37     1.09489   105.14886   -45.99475
   35    30 S   CO3  _C3_    29     1.52913   113.01580  -101.43724
   36    35 S   O2Z  _O31    30     1.26408   115.35543   -45.68214
   37    35 S   O2Z  _O32    31     1.26349   115.01498   135.23182
   38    33 S   CM   _C9_    38     1.54661   106.91856  -159.84416
   39    33 S   CT   _C13    62     1.55355   110.47366    68.31917
   40    39 S   HC   _H17    63     1.09700   110.13440    54.68875
   41    39 S   HC   _H18    64     1.09833   108.98504   -60.11528
   42    38 S   CT   _C8_    39     1.54305   113.15763    91.77861
   43    42 S   HC   _H12    40     1.09797   109.90436  -136.49448
   44    42 S   HC   _H13    41     1.09842   109.44810   -22.88490
   45    38 S   CMA  _C10    69     1.36834   125.75721   -86.66242
   46    45 S   OM   _O33    70     1.26837   125.99170     1.95354
   47    42 S   CT   _C7_    42     1.54335   115.09869   100.26421
   48    47 S   HC   _H10    43     1.09617   109.15573  -172.26716
   49    47 S   HC   _H11    44     1.09278   109.15290    71.80362
   50    45 S   OS   _O34    71     1.42151   111.23394  -179.93744
   51    47 S   CM   _C6_    45     1.49933   110.66222   -52.42623
   52    51 S   HC   _H9_    46     1.08912   113.76081   -57.50938
   53    50 S   CT   _C11    72     1.42705   114.29117   143.38710
   54    53 S   HC   _H14    73     1.09401   107.74626  -170.93555
   55    53 S   HC   _H15    74     1.09475   111.00140    71.13433
   56    53 S   HC   _H16    75     1.09526   111.15018   -52.78116
   57    51 S   CM   _C5_    47     1.34673   127.33368   113.20903
   58    57 S   CT   _C16    48     1.51575   119.20506  -160.45598
   59    58 S   HC   _H19    49     1.09806   110.30244   174.76370
   60    58 S   HC   _H20    50     1.09751   109.91177   -70.04857
   61    57 S   CT   _C4_    65     1.50274   125.21558    12.35751
   62    61 S   HC   _H6_    66     1.09555   109.74972   131.22065
   63    61 S   HC   _H7_    67     1.09214   113.36149    12.24189
   64    61 S   HC   _H8_    68     1.09428   110.61675  -109.40309
   65    58 S   CT   _C15    51     1.54677   112.66828    52.79739
   66    65 S   HC   _H5_    52     1.09482   109.38650   -70.05983
   67    65 S   CT   _C14    53     1.53752   114.37487    55.85804
   68    67 S   HC   _H4_    54     1.09230   112.03040   -13.77107
   69    67 S   CM   _C18    55     1.49101   100.87717   102.23135
   70    69 S   CO4  _C17    56     1.47161   110.10739    14.65884
   71    70 S   O    _O36    57     1.21767   126.99127   173.11214
   72    69 S   CM   _C19    59     1.33603   127.77366  -163.31103
   73    72 S   HC   _H21    60     1.08546   120.58437    -1.12987
   74    72 S   HC   _H22    61     1.08482   121.86560   178.90765
   75    65 S   OS   _O35    58     1.44356   108.35453   174.90961
  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   9   5   4   3
  16   7   2   1   1  15  13   5   4  11   6   5   7   2   7   4
   3   4  10   3   3   2   1   1  11  13   6   5   4   2   1   1
   8   5   8   4   6   5   2   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    67    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    47    65    67    68    69    39    40    41    45    46    50  
   38    42    67    39    40    41    45  
   36    37  
   37  
    0  
   42    43    44    47    48    49    51    67    39    40    41    45    46    50    53  
   40    41    45    42    58    65    66    67    68    69    70    72    75  
   41    65    67    68    69  
   65    67    68    69  
   43    44    47    48    49    51    52    57    45    46    50  
   44    47    48    49    51    45  
   47    48    49    51    45  
   46    50    53    54    55    56    47  
   50    53  
   48    49    51    52    57    58    61  
   49    51    52    57  
   51    52    57  
   53    54    55    56  
   52    57    58    59    60    65    61    62    63    64  
   57    58    61  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    65    66    67    75    61    62    63    64  
   59    60    65    66    67    68    69    70    75    61    62    63    64  
   60    65    66    67    75    61  
   65    66    67    75    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    75    72  
   67    68    69    70    75  
   68    69    70    71    75    72    73    74  
   69    70    75    72  
   70    71    75    72    73    74  
   71    75    72    73    74  
   75    72  
   73    74    75  
   74  
    0  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   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    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    39   268.000  1.529
   38    42   317.000  1.510
   38    45   465.000  1.376
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.510
   51    52   340.000  1.080
   51    57   549.000  1.340
   57    58   317.000  1.510
   57    61   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    75   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    39   268.000  1.529
   69    70   320.000  1.462
   69    72   549.000  1.340
   70    71   570.000  1.229
   70    75   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   745.000  1.250
   45    50   440.000  1.360
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    45    70.00000  124.00000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    45    46    65.00000  137.10300
   38    45    50    80.00000  120.01400
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    51    70.00000  112.02700
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    51    52    35.00000  117.00000
   47    51    57    70.00000  124.00000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    57    58    70.00000  124.00000
   51    57    61    70.00000  124.00000
   57    51    52    35.00000  120.00000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    65    70.00000  112.02700
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   58    65    66    37.50000  110.70000
   58    65    67    58.35000  112.70000
   58    65    75    50.00000  109.50000
   60    58    59    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    70.00000  112.02700
   65    67    39    58.35000  112.70000
   65    75    70    83.00000  116.90000
   67    65    66    37.50000  110.70000
   67    69    70    65.00000  116.34900
   67    69    72    70.00000  124.00000
   67    39    40    37.50000  110.70000
   67    39    41    37.50000  110.70000
   69    67    68    35.00000  109.50000
   69    70    71    80.00000  123.72100
   69    70    75    90.00000  111.29400
   69    72    73    35.00000  120.00000
   69    72    74    35.00000  120.00000
   75    65    66    35.00000  109.50000
   75    65    67    50.00000  109.50000
   75    70    71    83.00000  123.40000
   72    69    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    67    69    70.00000  112.02700
   41    39    40    33.00000  107.80000
   61    57    58    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    38    42    70.00000  124.00000
   45    50    53    90.00000  111.18400
   50    45    46    65.00000  121.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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    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    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    44   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    50   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    45   0.00000  1.0 1.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    51   0.31000  1.0 1.0
   38    42    47    51   0.14700 -1.0 2.0
   38    42    47    51   0.07550  1.0 3.0
   38    45    50    53  -2.26850  1.0 1.0
   38    45    50    53   3.39050 -1.0 2.0
   42    38    45    46   7.00000 -1.0 2.0
   42    38    45    50   7.00000 -1.0 2.0
   42    47    51    52   0.00000  1.0 1.0
   42    47    51    57   0.09850  1.0 1.0
   42    47    51    57   0.15250 -1.0 2.0
   42    47    51    57  -0.50650  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    51   0.15000  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    51   0.15000  1.0 3.0
   47    51    57    58   7.00000 -1.0 2.0
   47    51    57    61   7.00000 -1.0 2.0
   48    47    51    52   0.33100  1.0 3.0
   48    47    51    57   0.00000  1.0 1.0
   49    47    51    52   0.33100  1.0 3.0
   49    47    51    57   0.00000  1.0 1.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    60   0.00000  1.0 1.0
   51    57    58    65   0.09850  1.0 1.0
   51    57    58    65   0.15250 -1.0 2.0
   51    57    58    65  -0.50650  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    63   0.00000  1.0 1.0
   51    57    61    64   0.00000  1.0 1.0
   52    51    57    58   7.00000 -1.0 2.0
   52    51    57    61   7.00000 -1.0 2.0
   57    58    65    66   0.15000  1.0 3.0
   57    58    65    67   0.34400  1.0 1.0
   57    58    65    67   0.09450 -1.0 2.0
   57    58    65    67   0.11100  1.0 3.0
   57    58    65    75   0.61850  1.0 1.0
   57    58    65    75  -0.22750 -1.0 2.0
   57    58    65    75   0.15300  1.0 3.0
   58    57    61    62   0.34800  1.0 3.0
   58    57    61    63   0.34800  1.0 3.0
   58    57    61    64   0.34800  1.0 3.0
   58    65    67    68   0.15000  1.0 3.0
   58    65    67    69   0.34400  1.0 1.0
   58    65    67    69   0.09450 -1.0 2.0
   58    65    67    69   0.11100  1.0 3.0
   58    65    67    39   0.56750  1.0 1.0
   58    65    67    39  -0.07550 -1.0 2.0
   58    65    67    39   0.20000  1.0 3.0
   58    65    75    70  -0.25900  1.0 1.0
   58    65    75    70  -0.47000 -1.0 2.0
   58    65    75    70   0.11750  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    75   0.23400  1.0 3.0
   60    58    65    66   0.15000  1.0 3.0
   60    58    65    67   0.15000  1.0 3.0
   60    58    65    75   0.23400  1.0 3.0
   65    67   -69    70   0.09700  1.0 1.0
   65    67   -69    70   0.15600 -1.0 2.0
   65    67   -69    70  -0.50800  1.0 3.0
   65    67    69    72   0.09850  1.0 1.0
   65    67    69    72   0.15250 -1.0 2.0
   65    67    69    72  -0.50650  1.0 3.0
   65    67    39    33   0.56750  1.0 1.0
   65    67    39    33  -0.07550 -1.0 2.0
   65    67    39    33   0.20000  1.0 3.0
   65    67    39    40   0.15000  1.0 3.0
   65    67    39    41   0.15000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    39   0.15000  1.0 3.0
   66    65    75    70   0.08050  1.0 3.0
   67    65   -75    70  -0.25900  1.0 1.0
   67    65   -75    70  -0.47000 -1.0 2.0
   67    65   -75    70   0.11750  1.0 3.0
   67    69    70    71  -0.64400  1.0 1.0
   67    69    70    71   0.26850 -1.0 2.0
   67    69   -70    75  -0.15000  1.0 1.0
   67    69   -70    75   0.89550 -1.0 2.0
   67    69   -70    75  -0.06900  1.0 3.0
   67    69    72    73   7.00000 -1.0 2.0
   67    69    72    74   7.00000 -1.0 2.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    41   0.15000  1.0 3.0
   69    67    39    33   0.34400  1.0 1.0
   69    67    39    33   0.09450 -1.0 2.0
   69    67    39    33   0.11100  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    39    41   0.15000  1.0 3.0
   69    70   -75    65   2.00000 -1.0 2.0
   70    69    72    73   7.00000 -1.0 2.0
   70    69    72    74   7.00000 -1.0 2.0
   71    70    75    65   3.00000 -1.0 2.0
   75    65    67    68   0.23400  1.0 3.0
   75    65   -67    69   0.61850  1.0 1.0
   75    65   -67    69  -0.22750 -1.0 2.0
   75    65   -67    69   0.15300  1.0 3.0
   75    65    67    39   0.62750  1.0 1.0
   75    65    67    39  -0.30950 -1.0 2.0
   75    65    67    39   0.27300  1.0 3.0
   72    69    70    71   1.00000 -1.0 2.0
   72    69    70    75  -0.56150  1.0 1.0
   72    69    70    75   2.19150 -1.0 2.0
   39    33    38    42   0.46850  1.0 1.0
   39    33    38    42   0.08550 -1.0 2.0
   39    33    38    42   0.09800  1.0 3.0
   39    33    38    45   0.09850  1.0 1.0
   39    33    38    45   0.15250 -1.0 2.0
   39    33    38    45  -0.50650  1.0 3.0
   39    67    69    70   0.09700  1.0 1.0
   39    67    69    70   0.15600 -1.0 2.0
   39    67    69    70  -0.50800  1.0 3.0
   39    67    69    72   0.09850  1.0 1.0
   39    67    69    72   0.15250 -1.0 2.0
   39    67    69    72  -0.50650  1.0 3.0
   61    57    58    59   0.34800  1.0 3.0
   61    57    58    60   0.34800  1.0 3.0
   61    57    58    65   0.46850  1.0 1.0
   61    57    58    65   0.08550 -1.0 2.0
   61    57    58    65   0.09800  1.0 3.0
   45    38    42    43   0.00000  1.0 1.0
   45    38    42    44   0.00000  1.0 1.0
   45    38    42    47   0.09850  1.0 1.0
   45    38    42    47   0.15250 -1.0 2.0
   45    38    42    47  -0.50650  1.0 3.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   2.00000 -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    42    38    45   1.10000 -1.0 2.0
   47    52    51    57   1.10000 -1.0 2.0
   58    61    57    51   1.10000 -1.0 2.0
   67    70    69    72   1.10000 -1.0 2.0
   69    75    70    71  10.50000 -1.0 2.0
   73    74    72    69   1.10000 -1.0 2.0
   46    50    45    38   1.10000 -1.0 2.0
END
