* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    137    220     398
    1     0 S   NP   _N1_     1    29.38584    94.55889   -24.41015
    2     1 S   H    _HN1     2     1.02951    85.34826     0.25641
    3     1 S   H    _H1_     3     1.02828    22.74211   163.28746
    4     1 S   H    _H2_     4     1.02787   109.83392  -107.60303
    5     1 S   CT   _CA1     5     1.50113   126.56924   112.29325
    6     5 S   HC   _HA1     6     1.09573   105.20064    77.93712
    7     5 S   CO3  _C1_     7     1.53787   112.44591   -42.31743
    8     7 S   O2Z  _O11     8     1.26373   115.00321   -42.84113
    9     7 S   O2Z  _O12     9     1.26239   114.94000   136.27658
   10     5 S   CT   _CB1    10     1.53068   107.41879  -164.07407
   11    10 S   HC   HB11    11     1.09834   109.37793   -49.59979
   12    10 S   HC   HB12    12     1.09820   110.45614    67.00907
   13    10 S   CT   _CG1    13     1.52992   112.60811  -170.57412
   14    13 S   HC   HG11    14     1.09582   110.61864   -65.25707
   15    13 S   HC   HG12    15     1.09664   109.84013    54.02634
   16    13 S   C    _CD1    16     1.51748   112.16185   174.45511
   17    16 S   O    _OE1    17     1.22732   123.28376     5.60305
   18    16 S   N    _N2_    18     1.38657   111.75273  -174.43172
   19    18 S   H    _HN2    19     1.01584   118.98433     2.37800
   20    18 S   CT1  _CA2    20     1.46051   123.29798   178.43227
   21    20 S   HC   _HA2    21     1.09577   109.23610     5.99590
   22    20 S   C    _C2_    22     1.53617   109.36994  -109.20958
   23    22 S   O    _O2_    23     1.23093   122.03408  -151.19014
   24    20 S   CT   _CB2    32     1.53345   111.66073   128.28835
   25    24 S   HC   HB21    33     1.09687   109.35925    63.68637
   26    24 S   HC   HB22    34     1.09499   111.07022  -179.69868
   27    22 S   N    _N3_    24     1.38247   113.97977    36.29401
   28    27 S   H    _HN3    25     1.01561   119.63120    -3.25257
   29    24 S   S    _SG2    35     1.83000   115.22480   -55.69956
   30    27 S   CT   _CA3    26     1.45291   123.23847   177.08677
   31    30 S   HC   HA31    27     1.09548   107.51616   -64.73802
   32    30 S   HC   HA32    28     1.09557   107.98711    51.71151
   33    29 S   CT   _C16    36     1.84426   101.53351   -60.00919
   34    33 S   HC   _H3_    37     1.09174   107.02678    61.47590
   35    30 S   CO3  _C3_    29     1.52967   114.06018   173.73327
   36    35 S   O2Z  _O31    30     1.26378   116.06063     0.25256
   37    35 S   O2Z  _O32    31     1.26425   114.42192  -179.68721
   38    33 S   CT   _C12    38     1.55720   113.59146   -58.54190
   39    38 S   HC   _H29    39     1.09533   110.34449    70.21230
   40    33 S   C3T  _C15    57     1.51887   106.46541   178.37731
   41    40 S   HC   _H32    58     1.08418   113.23242    72.02584
   42    38 S   CM   _C5_    40     1.49141   109.81527  -168.53097
   43    67 S   O3T  _O20    59     1.44297   113.87914   132.20363
   44    38 S   OH   _O21    70     1.42935   110.11968   -47.90414
   45    44 S   HO   _H37    71     0.97283   107.54251   174.32404
   46    42 S   CM   _C4_    41     1.33092   128.51872    92.83945
   47    46 S   HC   _H23    42     1.08138   124.09726     6.65045
   48    46 S   CT   _C11    43     1.47604   111.44918  -163.43496
   49    48 S   HC   _H28    44     1.09521   109.52687  -126.72304
   50    48 S   CT   _C13    45     1.55923   115.73471   104.22012
   51    50 S   HC   _H30    46     1.09734   109.66822  -108.63078
   52    48 S   OS   _O18    67     1.44292   102.46001   -12.91656
   53    50 S   CM   _C6_    47     1.49656   112.73941   133.69659
   54    42 S   CO4  _C7_    68     1.46501   124.79005   -79.52736
   55    54 S   O    _O16    69     1.21808   125.59926    -8.97268
   56    53 S   CO4  _C8_    48     1.47095   110.33883  -135.42456
   57    56 S   O    _O17    49     1.21773   126.97345  -176.29800
   58    53 S   CM   _C9_    64     1.33731   128.72989    45.82536
   59    58 S   HC   _H24    65     1.08506   121.07476    -0.03956
   60    58 S   HC   _H25    66     1.08542   121.82714   179.37693
   61    56 S   OS   _O19    50     1.35630   107.40606     2.81564
   62    50 S   CT   _C14    51     1.54140   117.05397    16.48299
   63    62 S   HC   _H31    52     1.09313   112.97486    20.40222
   64    62 S   CT   _C10    53     1.54215   116.03930  -106.77871
   65    64 S   HC   _H26    54     1.09918   107.75198  -178.34129
   66    64 S   HC   _H27    55     1.09838   108.96903   -66.11353
   67    64 S   C3T  _C17    56     1.51211   116.19501    58.42900
   68    67 S   CT   _C18    60     1.50561   115.76365   -99.01979
   69    68 S   HC   _H34    61     1.09345   112.60726  -163.09501
   70    68 S   HC   _H35    62     1.09047   111.46797    75.29607
   71    68 S   HC   _H36    63     1.09558   110.32295   -44.34167
  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  10   5   4   3
  14   8   2   1   1  14   6  13   4  10   9   3   1  10   5  13
   6  16   8   4   9   1   1   8   3   4   1   1   6   6   4   7
   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    67    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    64    67    40    41    43    68    54    44    45  
   38    39    42    67    40    41    43    44  
   36    37  
   37  
    0  
   39    42    46    47    48    67    40    41    43    52    54    55    44    45  
   42    46    40    54    44    45  
   41    43    68    69    70    71    44    42    62    64    65    66    67  
   43    68    64    67  
   46    47    48    49    50    52    54    55    44    45  
   68    69    70    71    62    64    65    66    67  
   45    46    54  
    0  
   47    48    49    50    51    53    62    52    54    55  
   48    49    50    52    54  
   49    50    51    53    56    61    62    63    64    58    52    54    55  
   50    51    53    62    52    54  
   51    53    56    57    61    62    63    64    65    66    67    58    59    60    52    54  
   53    56    61    62    63    64    58    52  
   54    55    53    62  
   56    57    61    62    63    64    58    59    60  
   55  
    0  
   57    61    62    63    64    58    59    60  
   61    62    58  
   59    60    61    62  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65    66    67    68  
   64    65    66    67  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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
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   268.000  1.529
   33    40   275.000  1.510
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    44   320.000  1.410
   42    46   549.000  1.340
   42    54   320.000  1.462
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    62   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   275.000  1.510
   67    40   260.000  1.509
   67    43   335.000  1.432
   67    68   275.000  1.510
   40    41   340.000  1.088
   40    43   335.000  1.432
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   44    45   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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    44    50.00000  109.50000
   33    40    67    60.00000  120.94000
   33    40    41    40.00000  115.04500
   33    40    43    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    42    46    70.00000  124.00000
   38    42    54    65.00000  116.34900
   38    44    45    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    48    70.00000  124.00000
   42    54    52    90.00000  111.29400
   42    54    55    80.00000  123.72100
   46    48    49    35.00000  109.50000
   46    48    50    70.00000  112.02700
   46    48    52    85.00000  110.90400
   48    46    47    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    70.00000  112.02700
   48    50    62    58.35000  112.70000
   48    52    54    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    62    61    50.00000  109.50000
   50    62    63    37.50000  110.70000
   50    62    64    58.35000  112.70000
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    61    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    61    62    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    62    63    35.00000  109.50000
   61    62    64    50.00000  109.50000
   62    50    51    37.50000  110.70000
   62    50    53    70.00000  112.02700
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    70.00000  112.37300
   64    62    63    37.50000  110.70000
   64    67    40    60.00000  120.94000
   64    67    43    80.00000  116.47100
   64    67    68    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  109.38400
   67    64    66    45.00000  109.38400
   67    40    41    37.50000  117.20000
   67    40    43    15.00000   60.43100
   67    43    40    15.00000   59.14900
   67    68    69    45.00000  109.38400
   67    68    70    45.00000  109.38400
   67    68    71    45.00000  109.38400
   40    33    34    45.00000  109.38400
   40    33    38    70.00000  112.37300
   43    67    40    15.00000   60.43100
   43    40    41    50.00000  114.27700
   68    67    40    60.00000  120.94000
   68    67    43    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   54    42    46    65.00000  118.96000
   44    38    39    35.00000  109.50000
   44    38    42    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    46   0.09850  1.0 1.0
   33    38    42    46   0.15250 -1.0 2.0
   33    38    42    46  -0.50650  1.0 3.0
   33    38    42    54   0.09700  1.0 1.0
   33    38    42    54   0.15600 -1.0 2.0
   33    38    42    54  -0.50800  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40   -43    67   0.06250  1.0 1.0
   33    40   -43    67  -0.01100 -1.0 2.0
   33    40   -43    67   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    67   0.07850  1.0 1.0
   38    33    40    67  -0.03950 -1.0 2.0
   38    33    40    67   0.67350  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.02550  1.0 1.0
   38    33    40    43  -0.02600 -1.0 2.0
   38    33    40    43   1.20400  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42    46    48   7.00000 -1.0 2.0
   38    42    54    52  -0.15000  1.0 1.0
   38    42    54    52   0.89550 -1.0 2.0
   38    42    54    52  -0.06900  1.0 3.0
   38    42    54    55  -0.64400  1.0 1.0
   38    42    54    55   0.26850 -1.0 2.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    42    54   0.15000  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   42    38    44    45  -0.07800  1.0 1.0
   42    38    44    45  -0.21500 -1.0 2.0
   42    38    44    45  -0.03150  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   42    46    48    50   0.09850  1.0 1.0
   42    46    48    50   0.15250 -1.0 2.0
   42    46    48    50  -0.50650  1.0 3.0
   42    46   -48    52   0.39000  1.0 1.0
   42    46   -48    52  -0.05800 -1.0 2.0
   42    46   -48    52  -0.55150  1.0 3.0
   46    42   -54    52  -0.56150  1.0 1.0
   46    42   -54    52   2.19150 -1.0 2.0
   46    42    54    55   1.00000 -1.0 2.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    53   0.31000  1.0 1.0
   46    48    50    53   0.14700 -1.0 2.0
   46    48    50    53   0.07550  1.0 3.0
   46    48    50    62   0.34400  1.0 1.0
   46    48    50    62   0.09450 -1.0 2.0
   46    48    50    62   0.11100  1.0 3.0
   46    48   -52    54  -0.82050  1.0 1.0
   46    48   -52    54   0.00600 -1.0 2.0
   46    48   -52    54   0.04400  1.0 3.0
   47    46    48    49   0.33100  1.0 3.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    52   0.00000  1.0 1.0
   48    50    53    56   0.09700  1.0 1.0
   48    50    53    56   0.15600 -1.0 2.0
   48    50    53    56  -0.50800  1.0 3.0
   48    50    53    58   0.09850  1.0 1.0
   48    50    53    58   0.15250 -1.0 2.0
   48    50    53    58  -0.50650  1.0 3.0
   48    50    62    61   0.62750  1.0 1.0
   48    50    62    61  -0.30950 -1.0 2.0
   48    50    62    61   0.27300  1.0 3.0
   48    50    62    63   0.15000  1.0 3.0
   48    50    62    64   0.56750  1.0 1.0
   48    50    62    64  -0.07550 -1.0 2.0
   48    50    62    64   0.20000  1.0 3.0
   48    52   -54    42   2.00000 -1.0 2.0
   48    52    54    55   3.00000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    62   0.15000  1.0 3.0
   49    48    52    54   0.08050  1.0 3.0
   50    48    52    54  -0.25900  1.0 1.0
   50    48    52    54  -0.47000 -1.0 2.0
   50    48    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    61  -0.15000  1.0 1.0
   50    53   -56    61   0.89550 -1.0 2.0
   50    53   -56    61  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    62    64    65   0.15000  1.0 3.0
   50    62    64    66   0.15000  1.0 3.0
   50    62    64    67   0.47050  1.0 1.0
   50    62    64    67   0.03900 -1.0 2.0
   50    62    64    67   0.20100  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    62    61   0.23400  1.0 3.0
   51    50    62    63   0.15000  1.0 3.0
   51    50    62    64   0.15000  1.0 3.0
   53    50   -62    61   0.61850  1.0 1.0
   53    50   -62    61  -0.22750 -1.0 2.0
   53    50   -62    61   0.15300  1.0 3.0
   53    50    62    63   0.15000  1.0 3.0
   53    50    62    64   0.34400  1.0 1.0
   53    50    62    64   0.09450 -1.0 2.0
   53    50    62    64   0.11100  1.0 3.0
   53    56   -61    62   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    61   -62    50  -0.25900  1.0 1.0
   56    61   -62    50  -0.47000 -1.0 2.0
   56    61   -62    50   0.11750  1.0 3.0
   56    61    62    63   0.08050  1.0 3.0
   56    61    62    64  -0.25900  1.0 1.0
   56    61    62    64  -0.47000 -1.0 2.0
   56    61    62    64   0.11750  1.0 3.0
   57    56    61    62   3.00000 -1.0 2.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.23400  1.0 3.0
   61    62    64    67  -0.26800  1.0 1.0
   61    62    64    67   0.69150 -1.0 2.0
   61    62    64    67  -0.48750  1.0 3.0
   62    50   -53    56   0.09700  1.0 1.0
   62    50   -53    56   0.15600 -1.0 2.0
   62    50   -53    56  -0.50800  1.0 3.0
   62    50    53    58   0.09850  1.0 1.0
   62    50    53    58   0.15250 -1.0 2.0
   62    50    53    58  -0.50650  1.0 3.0
   62    64    67    40   0.07850  1.0 1.0
   62    64    67    40  -0.03950 -1.0 2.0
   62    64    67    40   0.67350  1.0 3.0
   62    64    67    43   0.02550  1.0 1.0
   62    64    67    43  -0.02600 -1.0 2.0
   62    64    67    43   1.20400  1.0 3.0
   62    64    67    68   0.56750  1.0 1.0
   62    64    67    68  -0.07550 -1.0 2.0
   62    64    67    68   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   64    67    40    33   0.56750  1.0 1.0
   64    67    40    33  -0.07550 -1.0 2.0
   64    67    40    33   0.20000  1.0 3.0
   64    67    40    41   0.15000  1.0 3.0
   64    67   -40    43   0.02550  1.0 1.0
   64    67   -40    43  -0.02600 -1.0 2.0
   64    67   -40    43   1.20400  1.0 3.0
   64    67   -43    40   0.06250  1.0 1.0
   64    67   -43    40  -0.01100 -1.0 2.0
   64    67   -43    40   0.28050  1.0 3.0
   64    67    68    69   0.15000  1.0 3.0
   64    67    68    70   0.15000  1.0 3.0
   64    67    68    71   0.15000  1.0 3.0
   65    64    67    40   0.15000  1.0 3.0
   65    64    67    43   0.23400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   66    64    67    40   0.15000  1.0 3.0
   66    64    67    43   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    67    68    69   0.15000  1.0 3.0
   40    67    68    70   0.15000  1.0 3.0
   40    67    68    71   0.15000  1.0 3.0
   41    40   -43    67   0.36800  1.0 3.0
   43    67   -40    33   0.02550  1.0 1.0
   43    67   -40    33  -0.02600 -1.0 2.0
   43    67   -40    33   1.20400  1.0 3.0
   43    67   -40    41   0.23400  1.0 3.0
   43    67    68    69   0.23400  1.0 3.0
   43    67    68    70   0.23400  1.0 3.0
   43    67    68    71   0.23400  1.0 3.0
   68    67    40    33   0.56750  1.0 1.0
   68    67    40    33  -0.07550 -1.0 2.0
   68    67    40    33   0.20000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67   -40    43   0.02550  1.0 1.0
   68    67   -40    43  -0.02600 -1.0 2.0
   68    67   -40    43   1.20400  1.0 3.0
   68    67   -43    40   0.06250  1.0 1.0
   68    67   -43    40  -0.01100 -1.0 2.0
   68    67   -43    40   0.28050  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    61  -0.56150  1.0 1.0
   58    53    56    61   2.19150 -1.0 2.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.61850  1.0 1.0
   52    48    50    53  -0.22750 -1.0 2.0
   52    48    50    53   0.15300  1.0 3.0
   52    48    50    62   0.62750  1.0 1.0
   52    48    50    62  -0.30950 -1.0 2.0
   52    48    50    62   0.27300  1.0 3.0
   54    42    46    47   7.00000 -1.0 2.0
   54    42   -46    48   7.00000 -1.0 2.0
   44    38    42    46   0.67800  1.0 1.0
   44    38    42    46   0.47050 -1.0 2.0
   44    38    42    46  -0.62500  1.0 3.0
   44    38    42    54   0.09700  1.0 1.0
   44    38    42    54   0.15600 -1.0 2.0
   44    38    42    54  -0.50800  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
   37    30    35    36  10.50000 -1.0 2.0
   38    54    42    46   1.10000 -1.0 2.0
   48    47    46    42   1.10000 -1.0 2.0
   50    56    53    58   1.10000 -1.0 2.0
   53    61    56    57  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   42    52    54    55  10.50000 -1.0 2.0
END
