* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    117    169     339
    1     0 S   NP   _N1_     1    29.28953    93.86332   -24.28238
    2     1 S   H    _HN1     2     1.02960    89.29594     5.82299
    3     1 S   H    _H1_     3     1.02835    18.07515   175.16649
    4     1 S   H    _H2_     4     1.02777   111.70253  -103.66515
    5     1 S   CT   _CA1     5     1.50129   121.94287   119.58257
    6     5 S   HC   _HA1     6     1.09575   105.21762    75.04645
    7     5 S   CO3  _C1_     7     1.53784   112.36558   -45.13722
    8     7 S   O2Z  _O11     8     1.26362   114.99845   -43.95230
    9     7 S   O2Z  _O12     9     1.26236   114.93015   135.15701
   10     5 S   CT   _CB1    10     1.53096   107.41581  -167.06231
   11    10 S   HC   HB11    11     1.09827   109.31418   -50.68610
   12    10 S   HC   HB12    12     1.09817   110.43050    65.85632
   13    10 S   CT   _CG1    13     1.53017   112.68718  -171.77548
   14    13 S   HC   HG11    14     1.09593   110.48179   -64.43775
   15    13 S   HC   HG12    15     1.09653   109.94760    54.78372
   16    13 S   C    _CD1    16     1.51808   112.28983   175.11777
   17    16 S   O    _OE1    17     1.22777   123.34023    -0.46646
   18    16 S   N    _N2_    18     1.38630   111.76815   179.53606
   19    18 S   H    _HN2    19     1.01574   119.11685     4.73925
   20    18 S   CT1  _CA2    20     1.45530   122.54635   177.73376
   21    20 S   HC   _HA2    21     1.09404   108.49278    20.97122
   22    20 S   C    _C2_    22     1.52845   107.75687   -94.63658
   23    22 S   O    _O2_    23     1.22875   123.28512   -26.86380
   24    20 S   CT   _CB2    32     1.53063   112.44230   144.38052
   25    24 S   HC   HB21    33     1.09679   109.68647    54.37579
   26    24 S   HC   HB22    34     1.09489   111.41583   171.18624
   27    22 S   N    _N3_    24     1.38511   112.03041   155.26900
   28    27 S   H    _HN3    25     1.01565   120.34638     0.50046
   29    24 S   S    _SG2    35     1.83158   114.54248   -65.34507
   30    27 S   CT   _CA3    26     1.45268   123.06273  -179.85196
   31    30 S   HC   HA31    27     1.09536   107.66586   -62.50872
   32    30 S   HC   HA32    28     1.09549   107.90820    54.06771
   33    29 S   CT   _C8_    36     1.83172   101.69108   -57.06799
   34    33 S   HC   _H11    37     1.09564   106.77012  -178.86944
   35    33 S   HC   _H12    38     1.09177   107.63044    66.47049
   36    30 S   CO3  _C3_    29     1.52989   113.73994   175.95117
   37    36 S   O2Z  _O31    30     1.26411   115.91244     2.12780
   38    36 S   O2Z  _O32    31     1.26380   114.49996  -177.86238
   39    33 S   CT   _C7_    39     1.53161   113.20391   -58.11670
   40    39 S   HC   _H9_    40     1.09471   110.47141    63.18855
   41    39 S   HC   _H10    41     1.09638   107.23589   -53.62823
   42    39 S   NX   _N4_    42     1.48258   113.29977  -174.91161
   43    42 S   CT   _C6_    43     1.47998   109.24762   170.97230
   44    43 S   HC   _H3_    44     1.09729   109.29747    64.20833
   45    43 S   CT   _C4_    45     1.53502   111.61071  -174.79466
   46    45 S   HC   _H4_    46     1.09674   109.70396   179.55150
   47    45 S   HC   _H5_    47     1.09829   108.90868    63.71589
   48    43 S   OH   _O35    63     1.43036   112.42424   -55.16898
   49    48 S   HO   _H8_    64     0.97222   107.47721   174.80793
   50    45 S   CT   _C5_    48     1.51704   112.41222   -58.15382
   51    50 S   HC   _H6_    49     1.09415   110.17553  -179.75213
   52    50 S   HC   _H7_    50     1.09477   111.66707   -59.88778
   53    50 S   OS   _O33    51     1.41743   109.36917    61.75184
   54    42 S   P1   _P1_    52     1.67691   118.27172   -53.28532
   55    54 S   O2Z  _O34    53     1.50897   115.07587    67.52145
   56    54 S   NX   _N5_    54     1.66176   106.78441   -60.57424
   57    56 S   H    _H13    55     1.01739   114.71508    53.03952
   58    56 S   CT   _C9_    56     1.46145   118.85546  -176.40844
   59    58 S   HC   _H14    57     1.09584   109.25447   -62.50752
   60    58 S   HC   _H15    58     1.09554   109.44777    55.41026
   61    58 S   CT   _C10    59     1.52322   110.08607   176.37912
   62    61 S   Cl   Cl1_    60     1.77968   110.27970   179.75611
   63    61 S   HC   _H16    61     1.09462   111.43579    60.50071
   64    61 S   HC   _H17    62     1.09447   111.31393   -60.90086
  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
   8   5   4   2   1   1  11   4   3  14  13   7   9   6   5   3
   1   6   3   2   5   7   3   8   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    53    54    55    56    48  
   41    42    43    54  
   42    43    54  
   43    44    45    46    47    50    53    54    55    56    57    58    48    49  
   44    45    46    47    50    51    52    53    54    55    56    48    49  
   45    46    47    50    54    48    49  
   46    47    50    51    52    53    54    48    49  
   47    50    51    52    53    48  
   50    51    52    53    48  
   49    50    54  
    0  
   51    52    53    54    55    56  
   52    53    54  
   53    54  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58    59    60    61    62    63    64  
   58    59    60    61  
   59    60    61    62    63    64  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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  -0.060200   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.332100   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5000   0.0660   0.264800   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7400   0.2000   1.279300   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   56   3.2500   0.1700  -0.566600   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.294300   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   63   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   310.000  1.452
   42    43   310.000  1.452
   42    54   305.000  1.702
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   320.000  1.410
   53    54   405.000  1.623
   54    55   675.000  1.490
   54    56   305.000  1.702
   56    57   505.000  1.018
   56    58   310.000  1.452
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   245.000  1.781
   61    63   340.000  1.090
   61    64   340.000  1.090
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    75.00000  110.98300
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    75.00000  110.49400
   39    42    54    60.00000  116.07500
   41    39    40    33.00000  107.80000
   42    39    40    50.00000  110.67200
   42    39    41    50.00000  110.67200
   42    43    44    50.00000  110.67200
   42    43    45    75.00000  110.98300
   42    43    48   100.00000  111.06000
   42    54    53   105.00000  102.60700
   42    54    55    85.00000  116.90400
   42    54    56    90.00000  104.15300
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    49    55.00000  108.50000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    50.00000  109.50000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    53    54    75.00000  119.24600
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55   100.00000  115.86100
   53    54    56   105.00000  102.60700
   54    42    43    60.00000  116.07500
   54    56    57    40.00000  115.80200
   54    56    58    60.00000  116.07500
   56    54    55    85.00000  116.90400
   56    58    59    50.00000  110.67200
   56    58    60    50.00000  110.67200
   56    58    61    75.00000  110.98300
   58    56    57    50.00000  108.89700
   58    61    62    69.00000  109.80000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   63    61    62    51.00000  107.60000
   64    61    62    51.00000  107.60000
   64    61    63    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.23450  1.0 1.0
   33    39    42    43   0.02050 -1.0 2.0
   33    39    42    43   0.25250  1.0 3.0
   33    39    42    54  -2.23400  1.0 1.0
   33    39    42    54  -0.50500 -1.0 2.0
   33    39    42    54   0.66300  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   0.00000  1.0 1.0
   39    42    43    45   0.58650  1.0 1.0
   39    42    43    45   0.12600 -1.0 2.0
   39    42    43    45   0.33350  1.0 3.0
   39    42    43    48   0.23200  1.0 1.0
   39    42    43    48   0.02100 -1.0 2.0
   39    42    43    48   0.24950  1.0 3.0
   39    42    54    53   0.29300  1.0 1.0
   39    42    54    53  -1.33650 -1.0 2.0
   39    42    54    53   0.62200  1.0 3.0
   39    42    54    55   0.00000  1.0 1.0
   39    42    54    56   0.50000  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    54   0.05900  1.0 3.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    54   0.05900  1.0 3.0
   42    43    45    46   0.15000  1.0 3.0
   42    43    45    47   0.15000  1.0 3.0
   42    43    45    50   1.53400  1.0 1.0
   42    43    45    50  -0.09950 -1.0 2.0
   42    43    45    50   0.05700  1.0 3.0
   42    43    48    49   0.35600  1.0 1.0
   42    43    48    49  -0.10750 -1.0 2.0
   42    43    48    49  -0.54400  1.0 3.0
   42    54    56    57   0.50000  1.0 3.0
   42    54    56    58   0.50000  1.0 3.0
   43    42    54    53   0.29300  1.0 1.0
   43    42    54    53  -1.33650 -1.0 2.0
   43    42    54    53   0.62200  1.0 3.0
   43    42    54    55   0.00000  1.0 1.0
   43    42    54    56   0.50000  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.15000  1.0 3.0
   43    45   -50    53   0.62750  1.0 1.0
   43    45   -50    53  -0.30950 -1.0 2.0
   43    45   -50    53   0.27300  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   45    43    48    49  -0.11600  1.0 1.0
   45    43    48    49  -0.09450 -1.0 2.0
   45    43    48    49   0.21250  1.0 3.0
   45    50    53    54  -2.65550  1.0 1.0
   45    50    53    54  -0.22350 -1.0 2.0
   45    50    53    54   0.24150  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    53   0.23400  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.23400  1.0 3.0
   50    53   -54    42  -0.14600  1.0 1.0
   50    53   -54    42  -0.87400 -1.0 2.0
   50    53   -54    42   0.68500  1.0 3.0
   50    53    54    55   0.00000  1.0 1.0
   50    53    54    56  -0.14600  1.0 1.0
   50    53    54    56  -0.87400 -1.0 2.0
   50    53    54    56   0.68500  1.0 3.0
   51    50    53    54   0.03000  1.0 3.0
   52    50    53    54   0.03000  1.0 3.0
   53    54    56    57   0.07350  1.0 1.0
   53    54    56    57  -1.26400 -1.0 2.0
   53    54    56    57   0.45050  1.0 3.0
   53    54    56    58   0.29300  1.0 1.0
   53    54    56    58  -1.33650 -1.0 2.0
   53    54    56    58   0.62200  1.0 3.0
   54    42    43    44   0.05900  1.0 3.0
   54    42   -43    45  -2.23400  1.0 1.0
   54    42   -43    45  -0.50500 -1.0 2.0
   54    42   -43    45   0.66300  1.0 3.0
   54    42    43    48   0.23200  1.0 1.0
   54    42    43    48   0.02100 -1.0 2.0
   54    42    43    48   0.24950  1.0 3.0
   54    56    58    59   0.05900  1.0 3.0
   54    56    58    60   0.05900  1.0 3.0
   54    56    58    61  -2.23400  1.0 1.0
   54    56    58    61  -0.50500 -1.0 2.0
   54    56    58    61   0.66300  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   56    58    61    62   0.56750  1.0 1.0
   56    58    61    62  -0.07550 -1.0 2.0
   56    58    61    62   0.20000  1.0 3.0
   56    58    61    63   0.15000  1.0 3.0
   56    58    61    64   0.15000  1.0 3.0
   57    56    58    59   0.20000  1.0 3.0
   57    56    58    60   0.20000  1.0 3.0
   57    56    58    61   0.14900  1.0 1.0
   57    56    58    61  -0.14450 -1.0 2.0
   57    56    58    61  -0.19400  1.0 3.0
   59    58    61    62   0.27000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.27000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   48    43    45    46   0.23400  1.0 3.0
   48    43    45    47   0.23400  1.0 3.0
   48    43    45    50   0.86500  1.0 1.0
   48    43    45    50  -0.17500 -1.0 2.0
   48    43    45    50   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   43    54    42    39   1.00000 -1.0 2.0
   57    54    56    58   1.00000 -1.0 2.0
END
