* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    29.78527    90.98224   -23.81347
    2     1 S   H    _HN1     2     1.03149   114.06290    17.12985
    3     1 S   H    _H1_     3     1.02801    11.37305    72.37352
    4     1 S   H    _H2_     4     1.02769    96.94526   -95.88572
    5     1 S   CT   _CA1     5     1.50225   114.69912   145.88151
    6     5 S   HC   _HA1     6     1.09557   105.33117    52.10806
    7     5 S   CO3  _C1_     7     1.53785   112.51204   -68.24005
    8     7 S   O2Z  _O11     8     1.26347   115.13489   -41.65341
    9     7 S   O2Z  _O12     9     1.26257   114.88384   137.53719
   10     5 S   CT   _CB1    10     1.52895   106.98183   170.11925
   11    10 S   HC   HB11    11     1.09830   109.26386   -49.61774
   12    10 S   HC   HB12    12     1.09740   110.09567    66.67219
   13    10 S   CT   _CG1    13     1.52991   113.64770  -171.39634
   14    13 S   HC   HG11    14     1.09532   110.37037   -58.81800
   15    13 S   HC   HG12    15     1.09553   110.60371    60.88478
   16    13 S   C    _CD1    16     1.51742   110.60853  -179.43145
   17    16 S   O    _OE1    17     1.22848   122.68035   -24.88477
   18    16 S   N    _N2_    18     1.38509   112.59686   155.59524
   19    18 S   H    _HN2    19     1.01567   119.39979     5.07821
   20    18 S   CT1  _CA2    20     1.46055   122.83599  -175.22242
   21    20 S   HC   _HA2    21     1.09654   109.19300     3.79349
   22    20 S   C    _C2_    22     1.53474   109.46224  -111.79992
   23    22 S   O    _O2_    23     1.23070   121.97256  -146.51045
   24    20 S   CT   _CB2    32     1.53499   111.86563   125.18227
   25    24 S   HC   HB21    33     1.09662   109.62390    69.25591
   26    24 S   HC   HB22    34     1.09596   110.32144  -173.87958
   27    22 S   N    _N3_    24     1.38422   113.78693    40.95589
   28    27 S   H    _HN3    25     1.01470   119.10920    -0.05935
   29    24 S   S    _SG2    35     1.83038   115.92077   -50.76770
   30    27 S   CT   _CA3    26     1.45449   123.26105   175.22078
   31    30 S   HC   HA31    27     1.09535   109.05659    28.15301
   32    30 S   HC   HA32    28     1.09492   107.16636   145.11845
   33    29 S   CT   _C18    36     1.82670   100.54311   -56.29453
   34    33 S   HC   _H3_    37     1.09526   108.86382   -48.86596
   35    33 S   HC   _H4_    38     1.09043   107.62042    68.52885
   36    30 S   CO3  _C3_    29     1.52936   113.23761   -95.20541
   37    36 S   O2Z  _O31    30     1.26392   115.45386   -43.75576
   38    36 S   O2Z  _O32    31     1.26364   114.95332   137.19459
   39    33 S   CT   _C10    39     1.53213   110.28807  -171.05512
   40    39 S   HC   _H26    40     1.09288   112.18778   -32.91321
   41    39 S   CO4  _C7_    41     1.51651   111.44033    88.93164
   42    41 S   O    _O17    42     1.22100   126.32735   -43.48687
   43    41 S   OS   _O18    43     1.37066   109.76785   136.70070
   44    43 S   CT   _C13    44     1.44879   110.00441     8.49165
   45    44 S   HC   _H29    45     1.09531   107.58290  -146.74983
   46    44 S   CT   _C8_    46     1.53521   105.45614    95.24316
   47    46 S   HC   _H23    47     1.09992   107.92729    45.02673
   48    46 S   HC   _H24    48     1.09445   109.67569   -65.36322
   49    39 S   CT   _C11    62     1.53407   112.81917  -159.01031
   50    49 S   HC   _H27    63     1.10434   105.23739   -43.51819
   51    46 S   CT   _C12    49     1.54062   117.56352   168.52865
   52    51 S   HC   _H28    50     1.09856   107.58871   152.07048
   53    51 S   CT   _C9_    51     1.53692   113.77696    30.75892
   54    53 S   HC   _H25    52     1.09994   107.04851   -73.42594
   55    51 S   CT   _C16    70     1.54008   108.86232   -93.14859
   56    55 S   HC   _H31    71     1.09532   111.22654    64.35117
   57    55 S   HC   _H32    72     1.09568   110.78222   -55.68325
   58    55 S   HC   _H33    73     1.09378   111.75345  -174.66436
   59    53 S   CM   _C5_    53     1.50904   115.21441   170.59423
   60    59 S   HC   _H22    54     1.08192   123.20621    40.60298
   61    59 S   CM   _C4_    55     1.33372   114.55735  -145.22468
   62    61 S   HC   _H21    56     1.07515   128.79345  -175.62668
   63    61 S   CO4  _C6_    57     1.46979   105.35623     3.91772
   64    63 S   O    _O16    58     1.22258   122.36634  -170.54196
   65    53 S   CT   _C15    59     1.55201   115.89627    49.59722
   66    65 S   CT   _C14    60     1.54180   111.92431   -92.67301
   67    66 S   HC   _H30    61     1.09584   109.35773  -173.50333
   68    65 S   CT   _C17    66     1.53984   116.10880    38.69476
   69    68 S   HC   _H34    67     1.08668   113.99344   -67.18138
   70    68 S   HC   _H35    68     1.09651   110.40148   172.74455
   71    68 S   HC   _H36    69     1.09671   111.75930    54.15313
   72    66 S   OH   _O19    64     1.44112   108.60958   -58.99535
   73    72 S   HO   _H39    65     0.97323   107.55746   -72.84529
  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
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
  10   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3
   8   7   3   4   2   1   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    66    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    66    67    49    50    72  
   41    42    43    44    66    49    50  
   42    43    44    45    46    66    49    50  
   43    44    49  
   44    45    46    47    48    51    66    49    50  
   45    46    47    48    51    52    53    65    66    67    49    50    72    55  
   46    47    48    51    66    49    50  
   47    48    51    52    53    54    59    65    66    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    72    73    68    51    53    63    65    66    67  
   72    65    66    67  
   52    53    54    59    60    61    63    65    66    68    55    56    57    58  
   53    54    59    65    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    72    68    69    70    71    55    56    57    58  
   59    60    61    63    65    66    68    55  
   56    57    58    59    65  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    68  
   61    62    63    65  
   62    63    64    65    66    68  
   63    64    65  
   64    65    66    67    72    68    69    70    71  
   65    66    68  
   66    67    72    73    68    69    70    71  
   67    72    73    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   317.000  1.510
   53    65   268.000  1.529
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   340.000  1.080
   61    63   320.000  1.462
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    49   268.000  1.529
   66    72   320.000  1.410
   49    50   340.000  1.090
   72    73   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    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    63.00000  111.10000
   33    39    49    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    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    66    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    66    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.02700
   51    53    65    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    35.00000  117.00000
   53    59    61    70.00000  124.00000
   53    65    63    63.00000  111.10000
   53    65    66    58.35000  112.70000
   53    65    68    58.35000  112.70000
   59    53    54    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    63    65.00000  118.96000
   61    59    60    35.00000  120.00000
   61    63    64    80.00000  123.72100
   61    63    65    65.00000  118.62400
   63    61    62    40.00000  117.72500
   63    65    66    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    53    54    37.50000  110.70000
   65    53    59    70.00000  112.02700
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    49    58.35000  112.70000
   65    66    72    50.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    49    50    37.50000  110.70000
   66    72    73    55.00000  108.50000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    66    67    37.50000  110.70000
   72    66    67    35.00000  109.50000
   72    66    49    50.00000  109.50000
   68    65    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    66   0.56750  1.0 1.0
   33    39    49    66  -0.07550 -1.0 2.0
   33    39    49    66   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    66   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    66  -0.95700  1.0 1.0
   41    39    49    66  -0.18200 -1.0 2.0
   41    39    49    66   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    66   0.62750  1.0 1.0
   43    44    49    66  -0.30950 -1.0 2.0
   43    44    49    66   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    66   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    66   0.56750  1.0 1.0
   46    44    49    66  -0.07550 -1.0 2.0
   46    44    49    66   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.34400  1.0 1.0
   46    51    53    59   0.09450 -1.0 2.0
   46    51    53    59   0.11100  1.0 3.0
   46    51    53    65   0.56750  1.0 1.0
   46    51    53    65  -0.07550 -1.0 2.0
   46    51    53    65   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.00000  1.0 1.0
   51    53    59    61   0.09850  1.0 1.0
   51    53    59    61   0.15250 -1.0 2.0
   51    53    59    61  -0.50650  1.0 3.0
   51    53    65    63  -0.95700  1.0 1.0
   51    53    65    63  -0.18200 -1.0 2.0
   51    53    65    63   0.29450  1.0 3.0
   51    53    65    66   0.56750  1.0 1.0
   51    53    65    66  -0.07550 -1.0 2.0
   51    53    65    66   0.20000  1.0 3.0
   51    53    65    68   0.56750  1.0 1.0
   51    53    65    68  -0.07550 -1.0 2.0
   51    53    65    68   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    65   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    61    62   7.00000 -1.0 2.0
   53    59   -61    63   7.00000 -1.0 2.0
   53    65    66    67   0.15000  1.0 3.0
   53    65    66    49   0.56750  1.0 1.0
   53    65    66    49  -0.07550 -1.0 2.0
   53    65    66    49   0.20000  1.0 3.0
   53    65    66    72   0.86500  1.0 1.0
   53    65    66    72  -0.17500 -1.0 2.0
   53    65    66    72   0.20800  1.0 3.0
   53    65    68    69   0.15000  1.0 3.0
   53    65    68    70   0.15000  1.0 3.0
   53    65    68    71   0.15000  1.0 3.0
   54    53    59    60   0.33100  1.0 3.0
   54    53    59    61   0.00000  1.0 1.0
   54    53    65    63  -0.11250  1.0 3.0
   54    53    65    66   0.15000  1.0 3.0
   54    53    65    68   0.15000  1.0 3.0
   59    53   -65    63  -0.98800  1.0 1.0
   59    53   -65    63   0.48800 -1.0 2.0
   59    53   -65    63   0.76800  1.0 3.0
   59    53    65    66   0.34400  1.0 1.0
   59    53    65    66   0.09450 -1.0 2.0
   59    53    65    66   0.11100  1.0 3.0
   59    53    65    68   0.34400  1.0 1.0
   59    53    65    68   0.09450 -1.0 2.0
   59    53    65    68   0.11100  1.0 3.0
   59    61    63    64   1.00000 -1.0 2.0
   59    61   -63    65  -0.33500  1.0 1.0
   59    61   -63    65   1.06600 -1.0 2.0
   59    61   -63    65  -0.14000  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    63   7.00000 -1.0 2.0
   61    63   -65    53   0.65300  1.0 1.0
   61    63   -65    53  -0.03850 -1.0 2.0
   61    63   -65    53   0.33900  1.0 3.0
   61    63    65    66   0.65300  1.0 1.0
   61    63    65    66  -0.03850 -1.0 2.0
   61    63    65    66   0.33900  1.0 3.0
   61    63    65    68   0.65300  1.0 1.0
   61    63    65    68  -0.03850 -1.0 2.0
   61    63    65    68   0.33900  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.04550  1.0 1.0
   62    61    63    65   0.83000 -1.0 2.0
   62    61    63    65  -0.04000  1.0 3.0
   63    65    66    67  -0.11250  1.0 3.0
   63    65    66    49  -0.95700  1.0 1.0
   63    65    66    49  -0.18200 -1.0 2.0
   63    65    66    49   0.29450  1.0 3.0
   63    65    66    72  -0.09450  1.0 1.0
   63    65    66    72  -1.12950 -1.0 2.0
   63    65    66    72   0.54000  1.0 3.0
   63    65    68    69  -0.11250  1.0 3.0
   63    65    68    70  -0.11250  1.0 3.0
   63    65    68    71  -0.11250  1.0 3.0
   64    63    65    53   0.30150 -1.0 2.0
   64    63    65    66   0.30150 -1.0 2.0
   64    63    65    68   0.30150 -1.0 2.0
   65    53    59    60   0.00000  1.0 1.0
   65    53   -59    61   0.09850  1.0 1.0
   65    53   -59    61   0.15250 -1.0 2.0
   65    53   -59    61  -0.50650  1.0 3.0
   65    66    49    39   0.56750  1.0 1.0
   65    66    49    39  -0.07550 -1.0 2.0
   65    66    49    39   0.20000  1.0 3.0
   65    66    49    44   0.56750  1.0 1.0
   65    66    49    44  -0.07550 -1.0 2.0
   65    66    49    44   0.20000  1.0 3.0
   65    66    49    50   0.15000  1.0 3.0
   65    66    72    73  -0.11600  1.0 1.0
   65    66    72    73  -0.09450 -1.0 2.0
   65    66    72    73   0.21250  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    66    49    39   0.15000  1.0 3.0
   67    66    49    44   0.15000  1.0 3.0
   67    66    49    50   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    66    72    73  -0.11600  1.0 1.0
   49    66    72    73  -0.09450 -1.0 2.0
   49    66    72    73   0.21250  1.0 3.0
   72    66    49    39   0.86500  1.0 1.0
   72    66    49    39  -0.17500 -1.0 2.0
   72    66    49    39   0.20800  1.0 3.0
   72    66    49    44   0.86500  1.0 1.0
   72    66    49    44  -0.17500 -1.0 2.0
   72    66    49    44   0.20800  1.0 3.0
   72    66    49    50   0.23400  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    49   0.56750  1.0 1.0
   68    65    66    49  -0.07550 -1.0 2.0
   68    65    66    49   0.20000  1.0 3.0
   68    65    66    72   0.86500  1.0 1.0
   68    65    66    72  -0.17500 -1.0 2.0
   68    65    66    72   0.20800  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.34400  1.0 1.0
   55    51    53    59   0.09450 -1.0 2.0
   55    51    53    59   0.11100  1.0 3.0
   55    51    53    65   0.56750  1.0 1.0
   55    51    53    65  -0.07550 -1.0 2.0
   55    51    53    65   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    60    59    61   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
END
