* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    191     361
    1     0 S   NP   _N1_     1    28.73161    96.77592   -23.71757
    2     1 S   H    _HN1     2     1.02950    69.15141    16.52924
    3     1 S   H    _H1_     3     1.02829    40.69770   174.14773
    4     1 S   H    _H2_     4     1.02785   106.42119   -87.31278
    5     1 S   CT   _CA1     5     1.50114   138.65088   114.10008
    6     5 S   HC   _HA1     6     1.09573   105.19468    96.39742
    7     5 S   CO3  _C1_     7     1.53788   112.47083   -23.83056
    8     7 S   O2Z  _O11     8     1.26371   115.00562   -42.31873
    9     7 S   O2Z  _O12     9     1.26242   114.94856   136.82024
   10     5 S   CT   _CB1    10     1.53082   107.41979  -145.62206
   11    10 S   HC   HB11    11     1.09832   109.36345   -49.77623
   12    10 S   HC   HB12    12     1.09813   110.44871    66.82998
   13    10 S   CT   _CG1    13     1.52988   112.60933  -170.76101
   14    13 S   HC   HG11    14     1.09582   110.62169   -65.72335
   15    13 S   HC   HG12    15     1.09671   109.79000    53.50460
   16    13 S   C    _CD1    16     1.51803   112.24429   173.94838
   17    16 S   O    _OE1    17     1.22728   123.29610     6.60557
   18    16 S   N    _N2_    18     1.38663   111.66093  -173.45869
   19    18 S   H    _HN2    19     1.01578   118.91499     1.78871
   20    18 S   CT1  _CA2    20     1.46197   123.39104   177.38656
   21    20 S   HC   _HA2    21     1.09735   109.37112     2.60744
   22    20 S   C    _C2_    22     1.53553   108.55445  -112.85738
   23    22 S   O    _O2_    23     1.23052   122.28275  -147.67403
   24    20 S   CT   _CB2    32     1.53341   111.61340   124.62719
   25    24 S   HC   HB21    33     1.09591   110.11758    56.05003
   26    24 S   HC   HB22    34     1.09437   110.09124   175.03406
   27    22 S   N    _N3_    24     1.38330   113.70627    39.74809
   28    27 S   H    _HN3    25     1.01584   119.59683    -3.26117
   29    24 S   S    _SG2    35     1.82817   111.53219   -64.67921
   30    27 S   CT   _CA3    26     1.45290   123.21561   177.15311
   31    30 S   HC   HA31    27     1.09549   107.50549   -64.69841
   32    30 S   HC   HA32    28     1.09556   107.99069    51.74203
   33    29 S   CT   _C11    36     1.84200    99.34108   177.08483
   34    33 S   HC   _H5_    37     1.09445   107.01023   -46.79245
   35    30 S   CO3  _C3_    29     1.52962   114.07679   173.74123
   36    35 S   O2Z  _O31    30     1.26377   116.06461    -0.72685
   37    35 S   O2Z  _O32    31     1.26428   114.41326   179.33500
   38    33 S   CT   _C10    38     1.52449   112.39066  -169.12820
   39    38 S   HC   _H4_    39     1.09757   109.06188   160.39219
   40    38 S   CO   _C9_    40     1.52168   102.54825   -82.57053
   41    40 S   HC   _H3_    41     1.09642   112.33364    85.96927
   42    38 S   OH   _O38    68     1.41424   114.82366    39.86176
   43    42 S   HO   _H12    69     0.97242   107.68389    51.01360
   44    40 S   N*   _N6_    42     1.45147   113.55429  -151.93621
   45    40 S   OS   _O33    56     1.43870   106.29810   -31.82219
   46    44 S   CRAB _C8_    43     1.36930   127.12768    84.46122
   47    46 S   HA   _H8_    44     1.08114   122.72395     0.70304
   48    33 S   CT   _C12    57     1.53143   110.92006    77.87692
   49    48 S   HC   _H6_    58     1.09522   113.83124   -27.04008
   50    46 S   NNA  _N7_    45     1.31640   112.09611  -179.25585
   51    48 S   CT   _C13    59     1.53004   111.92990  -150.66155
   52    51 S   HC   _H9_    60     1.09463   110.39588    55.79553
   53    51 S   HC   _H10    61     1.09406   111.42126   -65.74916
   54    50 S   C56B _C6_    46     1.37510   105.01064     0.10653
   55    51 S   OS   _O34    62     1.42458   108.73099   174.32328
   56    44 S   C56A _C7_    47     1.36948   125.69293   -94.52456
   57    55 S   P2   _P1_    63     1.63197   118.59505   170.65363
   58    57 S   O2Z  _O37    64     1.51131   108.48691   175.77928
   59    57 S   O2Z  _O35    65     1.51135   109.95085    41.43739
   60    56 S   NB   _N5_    48     1.34204   127.91215    -0.63366
   61    57 S   OS   _O36    66     1.63084    99.15429   -72.28692
   62    61 S   HO   _H11    67     0.97902   115.94828   -83.15493
   63    60 S   CQ   _C4_    49     1.34684   110.72170   179.85329
   64    63 S   HA   _H7_    50     1.08489   115.78183  -179.96044
   65    63 S   NB   _N4_    51     1.35355   128.64373     0.04423
   66    54 S   CA   _C5_    52     1.40366   131.71904   179.84934
   67    66 S   NND  _N8_    53     1.38121   122.21685     0.10468
   68    67 S   H    _H13    54     1.01082   120.40031     0.03426
   69    67 S   H    _H14    55     1.01015   119.34838  -179.96574
  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   6   3   6
   4   6   7   3   2   8   5   6   4   3   2   4   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    51    52    53    55    42    43  
   38    39    40    45    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    46    56    45    48    49    51    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    54    56    60    45    48    49    51    42    43  
   44    46    56    45    48    42  
   43    44    45    48  
    0  
   46    47    50    54    56    60    63    66    45    48  
   48    49    51    52    53    55    46    56  
   47    50    54    56    60    66  
   50    54    56  
   49    51    52    53    55    57  
   51    52    53    55  
   54    56    60    65    66    67  
   52    53    55    57    58    59    61  
   53    55    57  
   55    57  
   56    60    63    65    66    67    68    69  
   57    58    59    61    62  
   60    63    64    65    66    67  
   58    59    61    62  
   59    61    62  
   61    62  
   63    64    65    66  
   62  
    0  
   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   0.107500   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   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   61   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   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    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    48   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   440.000  1.371
   44    56   436.000  1.374
   46    47   367.000  1.080
   46    50   529.000  1.304
   50    54   414.000  1.391
   54    56   447.000  1.419
   54    66   469.000  1.404
   56    60   461.000  1.354
   60    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
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    61   230.000  1.697
   61    62   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    48    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    48    45    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    51    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  128.80000
   40    44    56    70.00000  125.80000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  123.05000
   44    46    50    70.00000  113.90000
   44    56    54    70.00000  106.20000
   44    56    60    70.00000  126.20000
   46    50    54    70.00000  103.80000
   50    46    47    35.00000  123.05000
   50    54    56    70.00000  110.40000
   50    54    66    70.00000  132.40000
   54    56    60    70.00000  127.70000
   54    66    65    70.00000  117.30000
   54    66    67    70.00000  123.50000
   56    44    46    70.00000  105.40000
   56    60    63    70.00000  111.00000
   60    63    64    35.00000  115.45000
   60    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    54    56    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
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    50.00000  109.50000
   51    48    49    37.50000  110.70000
   51    55    57   100.00000  120.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    57    58   100.00000  108.23000
   55    57    59   100.00000  108.23000
   55    57    61    45.00000  102.60000
   57    61    62    45.00000  108.50000
   59    57    58   140.00000  119.90000
   61    57    58   100.00000  108.23000
   61    57    59   100.00000  108.23000
   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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   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    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.62750  1.0 1.0
   33    48    51    55  -0.30950 -1.0 2.0
   33    48    51    55   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    48    45   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    45   0.62750  1.0 1.0
   38    33   -48    45  -0.30950 -1.0 2.0
   38    33   -48    45   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   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    56   1.10250  1.0 1.0
   38    40    44    56   0.01650 -1.0 2.0
   38    40    44    56   0.39100  1.0 3.0
   38    40   -45    48   0.06250  1.0 1.0
   38    40   -45    48  -0.01100 -1.0 2.0
   38    40   -45    48   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    47   3.62500 -1.0 2.0
   40    44    46    50   3.62500 -1.0 2.0
   40    44    56    54   0.81400  1.0 1.0
   40    44    56    54   1.55550 -1.0 2.0
   40    44    56    60   3.62500 -1.0 2.0
   40    45   -48    33   0.06250  1.0 1.0
   40    45   -48    33  -0.01100 -1.0 2.0
   40    45   -48    33   0.28050  1.0 3.0
   40    45    48    49   0.37050  1.0 3.0
   40    45    48    51   0.06250  1.0 1.0
   40    45    48    51  -0.01100 -1.0 2.0
   40    45    48    51   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    56   0.00000  1.0 1.0
   41    40    45    48   0.37050  1.0 3.0
   44    40    45    48  -2.37750  1.0 1.0
   44    40    45    48  -0.08150 -1.0 2.0
   44    40    45    48   0.59000  1.0 3.0
   44    46   -50    54   3.62500 -1.0 2.0
   44    56    60    63   3.62500 -1.0 2.0
   46    44   -56    54   0.70250  1.0 1.0
   46    44   -56    54   1.56150 -1.0 2.0
   46    44    56    60   3.62500 -1.0 2.0
   46    50   -54    56   3.62500 -1.0 2.0
   46    50    54    66   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    44   3.62500 -1.0 2.0
   50    54    56    60   3.62500 -1.0 2.0
   50    54    66    65   3.62500 -1.0 2.0
   50    54    66    67   3.62500 -1.0 2.0
   54    56    60    63   3.62500 -1.0 2.0
   54    66    67    68   0.70000 -1.0 2.0
   54    66    67    69   0.70000 -1.0 2.0
   56    44    46    47   3.62500 -1.0 2.0
   56    44   -46    50   3.62500 -1.0 2.0
   56    54    66    65   3.62500 -1.0 2.0
   56    54    66    67   3.62500 -1.0 2.0
   56    60    63    64   3.62500 -1.0 2.0
   56    60   -63    65   3.62500 -1.0 2.0
   60    63    65    66   3.62500 -1.0 2.0
   63    65   -66    54   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    54    56    44   3.00000 -1.0 2.0
   66    54   -56    60   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    56   0.10350  1.0 1.0
   45    40    44    56  -0.15350 -1.0 2.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    51    55   1.11900  1.0 1.0
   45    48    51    55  -1.16350 -1.0 2.0
   45    48    51    55  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    57  -2.65550  1.0 1.0
   48    51    55    57  -0.22350 -1.0 2.0
   48    51    55    57   0.24150  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   51    55    57    58   0.00000  1.0 1.0
   51    55    57    59   0.00000  1.0 1.0
   51    55    57    61   0.05050  1.0 1.0
   51    55    57    61  -1.30700 -1.0 2.0
   51    55    57    61   0.91550  1.0 3.0
   52    51    55    57   0.03000  1.0 3.0
   53    51    55    57   0.03000  1.0 3.0
   55    57    61    62   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   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    56    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   56    66    54    50   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   65    64    63    60   1.10000 -1.0 2.0
   65    67    66    54   4.00000 -1.0 2.0
   69    66    67    68   1.00000 -1.0 2.0
END
