* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    191     361
    1     0 S   NP   _N1_     1    29.57042    90.96444   -22.61782
    2     1 S   H    _HN1     2     1.02808    11.39762   133.45929
    3     1 S   H    _H1_     3     1.02802    98.72225   -82.02181
    4     1 S   H    _H2_     4     1.02973   104.54556    29.40913
    5     1 S   CT   _CA1     5     1.50178   121.54575   154.91005
    6     5 S   HC   _HA1     6     1.09558   105.31590    53.53742
    7     5 S   CO3  _C1_     7     1.53785   112.25519   -66.87823
    8     7 S   O2Z  _O11     8     1.26381   115.01099   -43.85355
    9     7 S   O2Z  _O12     9     1.26239   114.94505   135.24635
   10     5 S   CT   _CB1    10     1.52967   107.32797   171.50960
   11    10 S   HC   HB11    11     1.09807   109.27471   -50.01208
   12    10 S   HC   HB12    12     1.09723   110.12742    66.50278
   13    10 S   CT   _CG1    13     1.53083   113.16580  -171.57615
   14    13 S   HC   HG11    14     1.09570   110.24616   -61.99079
   15    13 S   HC   HG12    15     1.09597   110.38634    57.40227
   16    13 S   C    _CD1    16     1.51800   111.53881   177.22837
   17    16 S   O    _OE1    17     1.22771   122.95573   -18.69104
   18    16 S   N    _N2_    18     1.38594   112.34553   162.25094
   19    18 S   H    _HN2    19     1.01567   119.34412     3.41656
   20    18 S   CT1  _CA2    20     1.46109   122.78648  -176.88354
   21    20 S   HC   _HA2    21     1.09588   109.14276    -2.10282
   22    20 S   C    _C2_    22     1.53402   109.42244  -117.37741
   23    22 S   O    _O2_    23     1.23076   122.09578  -150.96162
   24    20 S   CT   _CB2    32     1.53553   111.95612   119.61084
   25    24 S   HC   HB21    33     1.09664   109.42766    69.99012
   26    24 S   HC   HB22    34     1.09580   110.70263  -172.98172
   27    22 S   N    _N3_    24     1.38291   113.79575    36.56070
   28    27 S   H    _HN3    25     1.01622   119.55170    -3.79762
   29    24 S   S    _SG2    35     1.82878   115.14005   -49.33036
   30    27 S   CT   _CA3    26     1.45285   123.04815   176.78082
   31    30 S   HC   HA31    27     1.09557   107.53015   -63.09762
   32    30 S   HC   HA32    28     1.09560   107.92046    53.27470
   33    29 S   CT   _C13    36     1.82824   100.50385   -66.94663
   34    33 S   HC   _H9_    37     1.09404   108.22042   -72.15701
   35    33 S   HC   _H10    38     1.09227   109.04081    46.83083
   36    30 S   CO3  _C3_    29     1.52914   114.21842   175.22968
   37    36 S   O2Z  _O31    30     1.26347   116.09178    -1.77729
   38    36 S   O2Z  _O32    31     1.26436   114.39399   178.29567
   39    33 S   CT   _C12    39     1.52804   109.54923   167.01876
   40    39 S   HC   _H6_    40     1.09845   111.17276    46.89482
   41    39 S   CT   _C11    41     1.52667   114.50210   170.65597
   42    41 S   HC   _H5_    42     1.09505   111.81314   -82.46055
   43    41 S   CT   _C10    43     1.51930   101.29150   157.41479
   44    43 S   HC   _H4_    44     1.09750   108.24927    81.64525
   45    41 S   OS   _O34    64     1.42074   110.74791    40.27048
   46    43 S   CO   _C9_    45     1.53010   103.83986   -33.12497
   47    46 S   HC   _H3_    46     1.09596   109.77165   134.22012
   48    43 S   OH   _O38    62     1.41288   114.81854  -158.14403
   49    48 S   HO   _H12    63     0.97577   108.03547   -33.03981
   50    45 S   P2   _P1_    65     1.63030   118.01348  -140.90948
   51    50 S   O2Z  _O37    66     1.51066   109.03356    72.86406
   52    50 S   O2Z  _O35    67     1.51186   108.80261   -61.45526
   53    46 S   N*   _N6_    47     1.44945   116.85084  -103.21929
   54    39 S   OS   _O33    61     1.44447   109.61407   -71.31709
   55    50 S   OS   _O36    68     1.62858    98.47831  -173.90709
   56    55 S   HO   _H11    69     0.97885   116.31167    79.77320
   57    53 S   CRAB _C8_    48     1.36923   127.43425    74.47929
   58    57 S   HA   _H8_    49     1.08066   122.87020    -0.94791
   59    57 S   NNA  _N7_    50     1.31663   112.24492   178.09320
   60    59 S   C56B _C6_    51     1.37306   104.96542    -0.50590
   61    53 S   C56A _C7_    52     1.37100   125.56622  -108.25809
   62    61 S   NB   _N5_    53     1.34235   127.98009     1.43258
   63    62 S   CQ   _C4_    54     1.34644   110.81525  -178.92498
   64    63 S   HA   _H7_    55     1.08491   115.79791  -180.00000
   65    63 S   NB   _N4_    56     1.35353   128.60411     0.19180
   66    60 S   CA   _C5_    57     1.40323   131.59101  -178.69659
   67    66 S   NND  _N8_    58     1.38116   122.18625    -0.29007
   68    67 S   H    _H13    59     1.01114   120.34583    -2.43895
   69    67 S   H    _H14    60     1.01037   119.36321  -178.54747
  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
  10   5   4   2   1   1  12   6  14   7  11   7   8  11   5   3
   1   4   3   2   9   2   1   1   6   3   6   8   6   4   4   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    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    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    53    54    48    45    50  
   41    42    43    46    54    45  
   42    43    44    46    47    53    54    48    49    45    50    51    52    55  
   43    44    46    54    48    45    50  
   44    46    47    53    57    61    54    48    49    45    50  
   46    47    53    54    48    49    45  
   50    51    52    55    56    46    48    54  
   47    53    57    58    59    60    61    62    54    48    49  
   53    57    61    54    48  
   49    53    54  
    0  
   51    52    55    56  
   52    55    56  
   55    56  
   57    58    59    60    61    62    63    66    54  
   57    61  
   56  
    0  
   58    59    60    61    62    66  
   59    60    61  
   60    61    62    65    66    67  
   61    62    63    65    66    67    68    69  
   62    63    64    65    66    67  
   63    64    65    66  
   64    65    66    67  
   65    66  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   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   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   250.000  1.527
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   275.000  1.479
   46    54   320.000  1.380
   53    57   440.000  1.371
   53    61   436.000  1.374
   57    58   367.000  1.080
   57    59   529.000  1.304
   59    60   414.000  1.391
   60    61   447.000  1.419
   60    66   469.000  1.404
   61    62   461.000  1.354
   62    63   502.000  1.324
   63    64   367.000  1.080
   63    65   502.000  1.324
   65    66   483.000  1.339
   66    67   481.000  1.340
   67    68   434.000  1.010
   67    69   434.000  1.010
   48    49   553.000  0.945
   45    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    55   230.000  1.697
   55    56   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    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    54    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    50   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    46    47    45.00000  112.01100
   43    46    53    75.00000  107.44000
   43    46    54    90.00000  108.56700
   43    48    49    55.00000  108.50000
   46    43    44    45.00000  108.72000
   46    53    57    70.00000  128.80000
   46    53    61    70.00000  125.80000
   53    46    47    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    59    70.00000  113.90000
   53    61    60    70.00000  106.20000
   53    61    62    70.00000  126.20000
   57    59    60    70.00000  103.80000
   59    57    58    35.00000  123.05000
   59    60    61    70.00000  110.40000
   59    60    66    70.00000  132.40000
   60    61    62    70.00000  127.70000
   60    66    65    70.00000  117.30000
   60    66    67    70.00000  123.50000
   61    53    57    70.00000  105.40000
   61    62    63    70.00000  111.00000
   62    63    64    35.00000  115.45000
   62    63    65    70.00000  129.10000
   63    65    66    70.00000  118.60000
   65    63    64    35.00000  115.45000
   65    66    67    70.00000  119.30000
   66    60    61    85.00000  116.20000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   69    67    68    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    46    47    35.00000  109.50000
   54    46    53   105.00000  106.22000
   48    43    44    35.00000  109.50000
   48    43    46    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  108.23000
   45    50    52   100.00000  108.23000
   45    50    55    45.00000  102.60000
   50    55    56    45.00000  108.50000
   52    50    51   140.00000  119.90000
   55    50    51   100.00000  108.23000
   55    50    52   100.00000  108.23000
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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    54    46   0.06250  1.0 1.0
   33    39    54    46  -0.01100 -1.0 2.0
   33    39    54    46   0.28050  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    54   0.23400  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    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    54    46   0.37050  1.0 3.0
   41    39   -54    46   0.06250  1.0 1.0
   41    39   -54    46  -0.01100 -1.0 2.0
   41    39   -54    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    53  -0.64600  1.0 1.0
   41    43    46    53   0.58400 -1.0 2.0
   41    43   -46    54   0.62750  1.0 1.0
   41    43   -46    54  -0.30950 -1.0 2.0
   41    43   -46    54   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    55   0.05050  1.0 1.0
   41    45    50    55  -1.30700 -1.0 2.0
   41    45    50    55   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46    53    57   1.10250  1.0 1.0
   43    46    53    57   0.01650 -1.0 2.0
   43    46    53    57   0.39100  1.0 3.0
   43    46    53    61   1.10250  1.0 1.0
   43    46    53    61   0.01650 -1.0 2.0
   43    46    53    61   0.39100  1.0 3.0
   43    46   -54    39   0.06250  1.0 1.0
   43    46   -54    39  -0.01100 -1.0 2.0
   43    46   -54    39   0.28050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    54   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    53    57    58   3.62500 -1.0 2.0
   46    53    57    59   3.62500 -1.0 2.0
   46    53    61    60   0.81400  1.0 1.0
   46    53    61    60   1.55550 -1.0 2.0
   46    53    61    62   3.62500 -1.0 2.0
   47    46    53    57   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   47    46    54    39   0.37050  1.0 3.0
   53    46    54    39  -2.37750  1.0 1.0
   53    46    54    39  -0.08150 -1.0 2.0
   53    46    54    39   0.59000  1.0 3.0
   53    57   -59    60   3.62500 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   57    53   -61    60   0.70250  1.0 1.0
   57    53   -61    60   1.56150 -1.0 2.0
   57    53    61    62   3.62500 -1.0 2.0
   57    59   -60    61   3.62500 -1.0 2.0
   57    59    60    66   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    60   -61    53   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    66    65   3.62500 -1.0 2.0
   59    60    66    67   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    66    67    68   0.70000 -1.0 2.0
   60    66    67    69   0.70000 -1.0 2.0
   61    53    57    58   3.62500 -1.0 2.0
   61    53   -57    59   3.62500 -1.0 2.0
   61    60    66    65   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62   -63    65   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   63    65   -66    60   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    66    67    68   0.70000 -1.0 2.0
   65    66    67    69   0.70000 -1.0 2.0
   66    60    61    53   3.00000 -1.0 2.0
   66    60   -61    62   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.11900  1.0 1.0
   54    39    41    45  -1.16350 -1.0 2.0
   54    39    41    45  -0.34150  1.0 3.0
   54    46    53    57   0.10350  1.0 1.0
   54    46    53    57  -0.15350 -1.0 2.0
   54    46    53    61   0.10350  1.0 1.0
   54    46    53    61  -0.15350 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   2.76900  1.0 1.0
   48    43    46    53  -0.24350 -1.0 2.0
   48    43    46    53  -0.78250  1.0 3.0
   48    43    46    54   3.69350  1.0 1.0
   48    43    46    54  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    55    56   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   52    50    55    56   0.00000  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
   37    30    36    38  10.50000 -1.0 2.0
   57    61    53    46   4.00000 -1.0 2.0
   59    58    57    53   1.10000 -1.0 2.0
   61    66    60    59   4.00000 -1.0 2.0
   60    62    61    53   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   65    67    66    60   4.00000 -1.0 2.0
   69    66    67    68   1.00000 -1.0 2.0
END
