* LIGAND DATABASE FILE (OPLS2005)
*
001      67    67    121    173     352
    1     0 S   NP   _N1_     1    30.60701    93.65356   -16.87383
    2     1 S   H    _HN1     2     1.03625   114.74220   136.26082
    3     1 S   H    _H1_     3     1.02710    21.54123    61.74334
    4     1 S   H    _H2_     4     1.03291   122.27190     7.74109
    5     1 S   CT   _CA1     5     1.50166    90.44733  -109.65528
    6     5 S   HC   _HA1     6     1.09698   104.61817    64.74710
    7     5 S   CO3  _C1_     7     1.54220   111.26666   -51.18140
    8     7 S   O2Z  _O11     8     1.26063   116.71309  -113.50522
    9     7 S   O2Z  _O12     9     1.26619   113.90790    65.77067
   10     5 S   CT   _CB1    10     1.52961   106.65065  -179.87180
   11    10 S   HC   HB11    11     1.09824   108.99512   -48.47878
   12    10 S   HC   HB12    12     1.09781   110.15087    67.48147
   13    10 S   CT   _CG1    13     1.53227   113.34523  -169.38123
   14    13 S   HC   HG11    14     1.09480   111.55366   -77.18418
   15    13 S   HC   HG12    15     1.09603   110.67871    42.60978
   16    13 S   C    _CD1    16     1.51493   110.14266   161.75240
   17    16 S   O    _OE1    17     1.22854   121.70850  -110.41869
   18    16 S   N    _N2_    18     1.38422   112.93276    68.10366
   19    18 S   H    _HN2    19     1.01592   119.10309     6.31224
   20    18 S   CT1  _CA2    20     1.46106   123.13300  -170.77099
   21    20 S   HC   _HA2    21     1.09731   109.25612    -5.91891
   22    20 S   C    _C2_    22     1.53240   109.27098  -122.01882
   23    22 S   O    _O2_    23     1.23073   122.21945  -148.21667
   24    20 S   CT   _CB2    32     1.53590   111.15920   115.27454
   25    24 S   HC   HB21    33     1.09608   109.75823    60.79324
   26    24 S   HC   HB22    34     1.09505   110.33184   179.79252
   27    22 S   N    _N3_    24     1.38353   113.67966    39.52144
   28    27 S   H    _HN3    25     1.01663   119.55454    -4.48581
   29    24 S   S    _SG2    35     1.82705   111.70176   -59.58124
   30    27 S   CT   _CA3    26     1.45312   122.84299   176.51333
   31    30 S   HC   HA31    27     1.09565   107.65066   -59.46773
   32    30 S   HC   HA32    28     1.09564   107.73901    56.82569
   33    29 S   CT   _C6_    36     1.84589    99.55074   176.33521
   34    33 S   HC   _H5_    37     1.09661   106.77232   -25.87659
   35    30 S   CO3  _C3_    29     1.52877   114.39487   178.70896
   36    35 S   O2Z  _O31    30     1.26323   116.11055    -1.17370
   37    35 S   O2Z  _O32    31     1.26451   114.37962   178.86168
   38    33 S   CT   _C5_    38     1.54305   109.64992    92.91942
   39    38 S   HC   _H4_    39     1.09698   109.37111   -61.42747
   40    38 S   CT   _C4_    40     1.53466   111.22069   177.49735
   41    40 S   HC   _H3_    41     1.09492   110.07208  -174.64178
   42    38 S   OH   _O45    66     1.42986   110.28840    57.01826
   43    42 S   HO   _H10    67     0.97261   107.81862   175.98161
   44    40 S   CT   _C9_    42     1.54037   110.51187   -54.27164
   45    44 S   HC   _H8_    43     1.09741   108.55640   -62.19826
   46    40 S   OH   _O46    64     1.42631   109.44849    68.50359
   47    46 S   HO   _H11    65     0.97149   107.62052    65.14863
   48    44 S   CT   _C8_    44     1.54113   112.63749    56.58779
   49    48 S   HC   _H7_    45     1.09436   109.47237  -177.98754
   50    44 S   OS   _O33    59     1.42750   109.49802   179.84805
   51    33 S   CT   _C7_    46     1.54750   110.19055  -143.03551
   52    51 S   HC   _H6_    47     1.09720   109.95678   -57.47452
   53    48 S   OS   _O37    53     1.43156   109.84301    63.00202
   54    50 S   P3   _P1_    60     1.65231   118.97897    97.78453
   55    54 S   O2Z  _O35    61     1.52521   103.87772  -175.79989
   56    54 S   O2Z  _O36    62     1.52552   104.61639    64.27765
   57    54 S   O2Z  _O34    63     1.52623   104.93993   -56.05474
   58    51 S   OS   _O41    48     1.43089   108.21394    62.08129
   59    53 S   P2   _P2_    54     1.63208   120.83546   117.41835
   60    59 S   O2Z  _O40    55     1.51384   108.13466  -177.54059
   61    59 S   O2Z  _O38    56     1.51100   110.70348   -43.54913
   62    58 S   P3   _P3_    49     1.64616   120.69741  -144.56934
   63    62 S   O2Z  _O43    50     1.52647   103.64143   176.24595
   64    62 S   O2Z  _O44    51     1.52585   105.44057    57.11832
   65    62 S   O2Z  _O42    52     1.52378   104.72218   -64.30869
   66    59 S   OS   _O39    57     1.62911    99.58107    70.11891
   67    66 S   HO   _H9_    58     0.98446   116.99623   -70.76975
  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
  16   8   2   1   1  14   7  13   7   4   1  15   7   3   1  12
   6   6   8   3   6   3   2   1   1   4   4   3   2   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    52    58    62    53    46    42    43  
   38    39    40    48    51    52    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    52    58    50    46    47    42    43  
   40    41    44    51    46    42    43  
   41    44    45    48    49    51    53    50    54    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    51  
    0  
   45    48    49    51    52    58    53    59    50    54    55    56    57    46    47  
   48    49    51    53    50    54    46  
   47    48    50  
    0  
   49    51    52    58    62    53    59    60    61    66    50    54  
   51    52    58    53    59    50  
   54    55    56    57    51    53  
   52    58    62    63    64    65    53    59  
   58    62    53  
   59    60    61    66    67    58  
   55    56    57  
   56    57  
   57  
    0  
   62    63    64    65  
   60    61    66    67  
   61    66    67  
   66    67  
   63    64    65  
   64    65  
   65  
    0  
   67  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   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    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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    58   320.000  1.410
   58    62   230.000  1.630
   62    63   525.000  1.516
   62    64   525.000  1.516
   62    65   525.000  1.516
   53    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    66   230.000  1.697
   66    67   553.000  0.945
   50    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   46    47   553.000  0.945
   42    43   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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    51    58.35000  112.70000
   44    48    53    50.00000  109.50000
   44    50    54    80.00000  112.68000
   48    44    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    58    50.00000  109.50000
   48    53    59   100.00000  120.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    58    62    80.00000  112.68000
   58    51    52    35.00000  109.50000
   58    62    63   100.00000  107.00000
   58    62    64   100.00000  107.00000
   58    62    65   100.00000  107.00000
   64    62    63   140.00000  114.00000
   65    62    63   140.00000  114.00000
   65    62    64   140.00000  114.00000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   53    59    60   100.00000  108.23000
   53    59    61   100.00000  108.23000
   53    59    66    45.00000  102.60000
   59    66    67    45.00000  108.50000
   61    59    60   140.00000  119.90000
   66    59    60   100.00000  108.23000
   66    59    61   100.00000  108.23000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   50    54    55   100.00000  107.00000
   50    54    56   100.00000  107.00000
   50    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    58    62  -2.65550  1.0 1.0
   33    51    58    62  -0.22350 -1.0 2.0
   33    51    58    62   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    58   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    58   0.62750  1.0 1.0
   38    33    51    58  -0.30950 -1.0 2.0
   38    33    51    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.62750  1.0 1.0
   38    40    44    50  -0.30950 -1.0 2.0
   38    40    44    50   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    51   0.56750  1.0 1.0
   40    44    48    51  -0.07550 -1.0 2.0
   40    44    48    51   0.20000  1.0 3.0
   40    44    48    53   0.62750  1.0 1.0
   40    44    48    53  -0.30950 -1.0 2.0
   40    44    48    53   0.27300  1.0 3.0
   40    44    50    54  -2.65550  1.0 1.0
   40    44    50    54  -0.22350 -1.0 2.0
   40    44    50    54   0.24150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -51    33   0.56750  1.0 1.0
   44    48   -51    33  -0.07550 -1.0 2.0
   44    48   -51    33   0.20000  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    58   0.62750  1.0 1.0
   44    48    51    58  -0.30950 -1.0 2.0
   44    48    51    58   0.27300  1.0 3.0
   44    48    53    59  -2.65550  1.0 1.0
   44    48    53    59  -0.22350 -1.0 2.0
   44    48    53    59   0.24150  1.0 3.0
   44    50    54    55   0.00000  1.0 1.0
   44    50    54    56   0.00000  1.0 1.0
   44    50    54    57   0.00000  1.0 1.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    50    54   0.03000  1.0 3.0
   48    44    50    54  -2.65550  1.0 1.0
   48    44    50    54  -0.22350 -1.0 2.0
   48    44    50    54   0.24150  1.0 3.0
   48    51    58    62  -2.65550  1.0 1.0
   48    51    58    62  -0.22350 -1.0 2.0
   48    51    58    62   0.24150  1.0 3.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    66   0.05050  1.0 1.0
   48    53    59    66  -1.30700 -1.0 2.0
   48    53    59    66   0.91550  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    58   0.23400  1.0 3.0
   49    48    53    59   0.03000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    48    53    59  -2.65550  1.0 1.0
   51    48    53    59  -0.22350 -1.0 2.0
   51    48    53    59   0.24150  1.0 3.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    64   0.00000  1.0 1.0
   51    58    62    65   0.00000  1.0 1.0
   52    51    58    62   0.03000  1.0 3.0
   53    48    51    33   0.62750  1.0 1.0
   53    48    51    33  -0.30950 -1.0 2.0
   53    48    51    33   0.27300  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    58   1.11900  1.0 1.0
   53    48    51    58  -1.16350 -1.0 2.0
   53    48    51    58  -0.34150  1.0 3.0
   53    59    66    67   0.00000  1.0 1.0
   60    59    66    67   0.00000  1.0 1.0
   61    59    66    67   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    51   0.62750  1.0 1.0
   50    44    48    51  -0.30950 -1.0 2.0
   50    44    48    51   0.27300  1.0 3.0
   50    44    48    53   1.11900  1.0 1.0
   50    44    48    53  -1.16350 -1.0 2.0
   50    44    48    53  -0.34150  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
