* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    192     358
    1     0 S   NP   _N1_     1    28.82039    92.59374   -21.68823
    2     1 S   H    _HN1     2     1.02786    95.17261   -85.36888
    3     1 S   H    _H1_     3     1.02961    98.55700    24.00674
    4     1 S   H    _H2_     4     1.02835    19.25290   142.14880
    5     1 S   CT   _CA1     5     1.50146   129.89755   149.89693
    6     5 S   HC   _HA1     6     1.09580   105.19341    56.66299
    7     5 S   CO3  _C1_     7     1.53624   112.33405   -63.40987
    8     7 S   O2Z  _O11     8     1.26417   115.21319   -45.63409
    9     7 S   O2Z  _O12     9     1.26189   114.91873   133.67461
   10     5 S   CT   _CB1    10     1.53049   107.37059   174.37594
   11    10 S   HC   HB11    11     1.09826   109.03207   -51.29183
   12    10 S   HC   HB12    12     1.09836   110.43908    65.06180
   13    10 S   CT   _CG1    13     1.53143   113.03666  -172.55205
   14    13 S   HC   HG11    14     1.09600   110.30498   -65.26954
   15    13 S   HC   HG12    15     1.09623   110.21725    54.09502
   16    13 S   C    _CD1    16     1.51882   111.88412   174.04540
   17    16 S   O    _OE1    17     1.22791   123.01997    -9.24146
   18    16 S   N    _N2_    18     1.38712   112.11981   171.28420
   19    18 S   H    _HN2    19     1.01582   119.24099     1.16919
   20    18 S   CT1  _CA2    20     1.46374   122.88657  -177.47695
   21    20 S   HC   _HA2    21     1.09741   109.11405   -12.89951
   22    20 S   C    _C2_    22     1.53345   108.78828  -128.65752
   23    22 S   O    _O2_    23     1.23025   122.11184  -147.65171
   24    20 S   CT   _CB2    32     1.53728   111.97871   108.68482
   25    24 S   HC   HB21    33     1.09485   109.30852    61.69506
   26    24 S   HC   HB22    34     1.09511   110.11493  -179.33825
   27    22 S   N    _N3_    24     1.38462   113.43449    39.74921
   28    27 S   H    _HN3    25     1.01531   118.89639    -0.78484
   29    24 S   S    _SG2    35     1.82350   111.41350   -58.55561
   30    27 S   CT   _CA3    26     1.45454   123.51902   175.02126
   31    30 S   HC   HA31    27     1.09518   109.31570    22.77629
   32    30 S   HC   HA32    28     1.09497   107.10427   139.80316
   33    29 S   CT   _C6_    36     1.83897   101.81399  -166.02754
   34    33 S   HC   _H4_    37     1.09546   106.74076    66.96916
   35    30 S   CO3  _C3_    29     1.52923   113.05670  -100.74750
   36    35 S   O2Z  _O31    30     1.26405   115.38762   -44.57378
   37    35 S   O2Z  _O32    31     1.26351   114.99215   136.34066
   38    33 S   CT   _C7_    38     1.52077   113.40374   -57.77982
   39    38 S   HC   _H5_    39     1.09104   114.81526    35.70285
   40    38 S   CO   _C8_    40     1.52900   104.61477   -90.28852
   41    40 S   HC   _H6_    41     1.09579   112.53557  -137.91162
   42    38 S   OH   _O35    67     1.43305   107.94266   153.57008
   43    42 S   HO   _H12    68     0.97282   107.56586   178.80286
   44    40 S   N*   _N4_    42     1.46065   113.54089   100.99998
   45    40 S   OS   _O33    57     1.43574   106.95789   -20.90927
   46    44 S   CN   _C9_    43     1.37044   128.45632  -105.84955
   47    33 S   CT   _C5_    58     1.54031   113.48011  -172.48947
   48    47 S   HC   _H3_    59     1.09836   109.05413  -157.47824
   49    46 S   CB   _C10    44     1.37354   105.20002   176.61528
   50    47 S   CT   _C4_    60     1.53127   117.31078   -33.69958
   51    50 S   HC   _H7_    61     1.09508   110.39555    64.91007
   52    50 S   HC   _H8_    62     1.09737   109.56177   -55.94586
   53    49 S   C    _C11    45     1.43968   119.28123  -177.88974
   54    53 S   O    _O34    46     1.22482   123.78557  -179.72024
   55    49 S   NNA  _N8_    54     1.36155   112.01034     2.07735
   56    50 S   OS   _O36    63     1.42961   109.06599  -175.83402
   57    53 S   NNB  _N5_    47     1.39849   111.25148     0.23155
   58    57 S   H    _H9_    48     1.01623   117.34094   178.70820
   59    44 S   CRAB _C13    55     1.38409   125.34871    73.40987
   60    59 S   Br   Br1_    56     1.88187   126.26668     2.85396
   61    56 S   PR   _P1_    64     1.62404   116.08916  -176.45481
   62    61 S   OM   _O38    65     1.64428    98.52149    75.23527
   63    61 S   OM   _O37    66     1.64093    97.80251   174.53575
   64    57 S   CDX  _C12    49     1.40586   124.96815    -1.27595
   65    46 S   NNC  _N6_    50     1.35116   127.04847    -2.46799
   66    64 S   NND  _N7_    51     1.36631   116.11484  -178.76425
   67    66 S   H    _H10    52     1.02120   120.14368   176.10268
   68    66 S   H    _H11    53     1.01293   122.08245    -1.54560
  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
  15   8   2   1   1  12   7  14   6   4   1  10   8  10   6   4
   9   6   3   2   8   4   4   3   6   3   2   1   2   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    50    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    47    48    50    51    52    56    42    43  
   38    39    40    45    47    48    50    42  
   36    37  
   37  
    0  
   39    40    41    44    46    59    45    47    48    50    42    43  
   40    41    44    45    47    42    43  
   41    44    46    49    65    55    59    60    45    47    48    50    42    43  
   44    46    59    45    47    42  
   43    44    45    47  
    0  
   46    49    53    64    65    55    59    60    45    47  
   47    48    50    51    52    56    46    59  
   49    53    54    57    64    65    66    55    59    60  
   48    50    51    52    56    61  
   50    51    52    56  
   53    54    57    58    64    65    55    59    60  
   51    52    56    61    62    63  
   52    56    61  
   56    61  
   54    57    58    64    65    66    55    59  
   57    58    64    55  
   59    60    57    65  
   61    62    63  
   58    64    65    66    67    68  
   64    65    66  
   60    65  
    0  
   62    63  
   63  
    0  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   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   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.080000   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   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   56   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   57   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0800   0.600000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   61   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   64   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   65   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   66   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.400000   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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   275.000  1.479
   40    45   320.000  1.380
   44    46   436.000  1.374
   44    59   440.000  1.371
   46    49   520.000  1.370
   46    65   461.000  1.354
   49    53   447.000  1.419
   49    55   414.000  1.391
   53    54   570.000  1.229
   53    57   418.000  1.388
   57    58   434.000  1.010
   57    64   427.000  1.381
   64    65   585.000  1.311
   64    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   55    59   529.000  1.304
   59    60   300.000  1.903
   45    47   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   320.000  1.410
   56    61   325.000  1.672
   61    62   325.000  1.672
   61    63   325.000  1.672
   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    47    45    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  125.80000
   40    44    59    70.00000  128.80000
   40    45    47    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    49    70.00000  106.20000
   44    46    65    70.00000  126.20000
   44    59    55    70.00000  113.90000
   44    59    60    65.00000  117.00000
   46    49    53    85.00000  119.20000
   46    49    55    70.00000  110.40000
   46    65    64    70.00000  112.20000
   49    53    54    80.00000  128.80000
   49    53    57    70.00000  111.30000
   49    55    59    70.00000  103.80000
   53    57    58    35.00000  116.80000
   53    57    64    70.00000  125.20000
   57    53    54    80.00000  120.60000
   57    64    65    70.00000  123.30000
   57    64    66    70.00000  116.00000
   64    57    58    35.00000  118.00000
   64    66    67    35.00000  120.00000
   64    66    68    35.00000  120.00000
   65    46    49    70.00000  127.70000
   66    64    65    70.00000  119.30000
   68    66    67    35.00000  120.00000
   55    49    53    70.00000  130.00000
   55    59    60    65.00000  117.00000
   59    44    46    70.00000  105.40000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    47    48    35.00000  109.50000
   45    47    50    50.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    56    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    56    61   100.00000  120.50000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    61    62    45.00000  102.60000
   56    61    63    45.00000  102.60000
   63    61    62    35.00000   94.00000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  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    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    56   0.62750  1.0 1.0
   33    47    50    56  -0.30950 -1.0 2.0
   33    47    50    56   0.27300  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    47    45   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    45   0.62750  1.0 1.0
   38    33   -47    45  -0.30950 -1.0 2.0
   38    33   -47    45   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    59   1.10250  1.0 1.0
   38    40    44    59   0.01650 -1.0 2.0
   38    40    44    59   0.39100  1.0 3.0
   38    40   -45    47   0.06250  1.0 1.0
   38    40   -45    47  -0.01100 -1.0 2.0
   38    40   -45    47   0.28050  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    45   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    46    49   0.81400  1.0 1.0
   40    44    46    49   1.55550 -1.0 2.0
   40    44    46    65   3.62500 -1.0 2.0
   40    44    59    55   3.62500 -1.0 2.0
   40    44    59    60   3.62500 -1.0 2.0
   40    45   -47    33   0.06250  1.0 1.0
   40    45   -47    33  -0.01100 -1.0 2.0
   40    45   -47    33   0.28050  1.0 3.0
   40    45    47    48   0.37050  1.0 3.0
   40    45    47    50   0.06250  1.0 1.0
   40    45    47    50  -0.01100 -1.0 2.0
   40    45    47    50   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    59   0.00000  1.0 1.0
   41    40    45    47   0.37050  1.0 3.0
   44    40    45    47  -2.37750  1.0 1.0
   44    40    45    47  -0.08150 -1.0 2.0
   44    40    45    47   0.59000  1.0 3.0
   44    46    49    53   3.62500 -1.0 2.0
   44    46   -49    55   3.62500 -1.0 2.0
   44    46    65    64   1.25000 -1.0 2.0
   46    44   -59    55   3.62500 -1.0 2.0
   46    44    59    60   3.62500 -1.0 2.0
   46    49    53    54   1.05000 -1.0 2.0
   46    49    53    57   1.50000 -1.0 2.0
   46    49   -55    59   3.62500 -1.0 2.0
   49    46    65    64   3.62500 -1.0 2.0
   49    53    57    58   1.52500 -1.0 2.0
   49    53   -57    64   1.52500 -1.0 2.0
   49    55   -59    44   3.62500 -1.0 2.0
   49    55    59    60   3.62500 -1.0 2.0
   53    49    55    59   3.62500 -1.0 2.0
   53    57    64    65   3.62500 -1.0 2.0
   53    57    64    66   3.62500 -1.0 2.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    64   3.04450 -1.0 2.0
   57    64   -65    46   3.62500 -1.0 2.0
   57    64    66    67   1.01500 -1.0 2.0
   57    64    66    68   1.01500 -1.0 2.0
   58    57    64    65   3.62500 -1.0 2.0
   58    57    64    66   3.62500 -1.0 2.0
   65    46   -49    53   3.62500 -1.0 2.0
   65    46    49    55   3.62500 -1.0 2.0
   65    64    66    67   0.70000 -1.0 2.0
   65    64    66    68   0.70000 -1.0 2.0
   66    64    65    46   3.62500 -1.0 2.0
   55    49    53    54   0.41000 -1.0 2.0
   55    49    53    57   5.37500 -1.0 2.0
   59    44   -46    49   0.70250  1.0 1.0
   59    44   -46    49   1.56150 -1.0 2.0
   59    44    46    65   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    59   0.10350  1.0 1.0
   45    40    44    59  -0.15350 -1.0 2.0
   45    47    50    51   0.23400  1.0 3.0
   45    47    50    52   0.23400  1.0 3.0
   45    47    50    56   1.11900  1.0 1.0
   45    47    50    56  -1.16350 -1.0 2.0
   45    47    50    56  -0.34150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40   3.97050  1.0 1.0
   47    33    38    42   0.86500  1.0 1.0
   47    33    38    42  -0.17500 -1.0 2.0
   47    33    38    42   0.20800  1.0 3.0
   47    50    56    61  -2.65550  1.0 1.0
   47    50    56    61  -0.22350 -1.0 2.0
   47    50    56    61   0.24150  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   50    56    61    62   0.05050  1.0 1.0
   50    56    61    62  -1.30700 -1.0 2.0
   50    56    61    62   0.91550  1.0 3.0
   50    56    61    63   0.05050  1.0 1.0
   50    56    61    63  -1.30700 -1.0 2.0
   50    56    61    63   0.91550  1.0 3.0
   51    50    56    61   0.03000  1.0 3.0
   52    50    56    61   0.03000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   46    59    44    40   4.00000 -1.0 2.0
   49    65    46    44   4.00000 -1.0 2.0
   53    55    49    46   4.00000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    53    57    64   1.00000 -1.0 2.0
   57    66    64    65  10.50000 -1.0 2.0
   68    64    66    67   1.00000 -1.0 2.0
   55    60    59    44   4.00000 -1.0 2.0
END
