* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    120    189     348
    1     0 S   NP   _N1_     1    28.85633    94.86992   -24.44310
    2     1 S   H    _HN1     2     1.02786   112.47528   -91.93995
    3     1 S   H    _H1_     3     1.02948    79.78600    13.84261
    4     1 S   H    _H2_     4     1.02827    27.87093  -177.87072
    5     1 S   CT   _CA1     5     1.50117   127.46116   121.78354
    6     5 S   HC   _HA1     6     1.09573   105.18773    84.99920
    7     5 S   CO3  _C1_     7     1.53785   112.46720   -35.23170
    8     7 S   O2Z  _O11     8     1.26374   115.00442   -42.34865
    9     7 S   O2Z  _O12     9     1.26239   114.94817   136.75863
   10     5 S   CT   _CB1    10     1.53074   107.41456  -157.01454
   11    10 S   HC   HB11    11     1.09834   109.36599   -49.58387
   12    10 S   HC   HB12    12     1.09812   110.45203    67.02384
   13    10 S   CT   _CG1    13     1.52994   112.61278  -170.54947
   14    13 S   HC   HG11    14     1.09579   110.65276   -66.01155
   15    13 S   HC   HG12    15     1.09671   109.76555    53.22429
   16    13 S   C    _CD1    16     1.51802   112.18277   173.68646
   17    16 S   O    _OE1    17     1.22737   123.26630     8.10772
   18    16 S   N    _N2_    18     1.38649   111.69908  -171.97121
   19    18 S   H    _HN2    19     1.01574   118.94745     1.58905
   20    18 S   CT1  _CA2    20     1.46210   123.40532   177.40324
   21    20 S   HC   _HA2    21     1.09737   109.33957     4.27118
   22    20 S   C    _C2_    22     1.53584   108.62733  -111.21886
   23    22 S   O    _O2_    23     1.23063   122.29493  -147.66051
   24    20 S   CT   _CB2    32     1.53337   111.62775   126.25463
   25    24 S   HC   HB21    33     1.09592   110.06852    56.43492
   26    24 S   HC   HB22    34     1.09381   110.01182   175.40871
   27    22 S   N    _N3_    24     1.38335   113.74306    39.77299
   28    27 S   H    _HN3    25     1.01571   119.61086    -3.23132
   29    24 S   S    _SG2    35     1.82727   111.49332   -64.18262
   30    27 S   CT   _CA3    26     1.45282   123.20908   177.16503
   31    30 S   HC   HA31    27     1.09549   107.50291   -64.76512
   32    30 S   HC   HA32    28     1.09557   107.99387    51.67313
   33    29 S   CT   _C6_    36     1.86426    99.71112   179.67314
   34    33 S   HC   _H3_    37     1.09641   105.20856   -24.11202
   35    30 S   CO3  _C3_    29     1.52960   114.08834   173.67829
   36    35 S   O2Z  _O31    30     1.26376   116.08551    -0.66086
   37    35 S   O2Z  _O32    31     1.26430   114.40739   179.40160
   38    33 S   CT   _C7_    38     1.54671   111.43262    94.45239
   39    38 S   HC   _H4_    39     1.09329   109.43809  -176.73979
   40    38 S   C3T  _C8_    40     1.50224   110.51329    60.94880
   41    40 S   HC   _H5_    41     1.08675   111.60376   -98.36782
   42    38 S   OH   _O34    62     1.42604   110.57306   -61.07853
   43    42 S   HO   _H16    63     0.97268   107.42217  -178.71854
   44    40 S   C3T  _C9_    42     1.51097   116.46589    37.89810
   45    44 S   HC   _H6_    43     1.08757   115.85678  -135.41616
   46    44 S   CO4  _C10    44     1.48835   119.89479     4.76370
   47    46 S   O    _O33    45     1.22752   119.19680   159.02455
   48    40 S   C3T  _C11    53     1.52358   125.45304   108.55979
   49    33 S   CT   _C5_    46     1.55345   111.38291  -141.86308
   50    48 S   CT   _C12    54     1.50533   120.97333     6.81443
   51    50 S   HC   _H10    55     1.09511   110.06005    78.14356
   52    50 S   HC   _H11    56     1.08964   113.61316   -42.79567
   53    50 S   HC   _H12    57     1.09546   110.18013  -162.81129
   54    48 S   CT   _C13    58     1.51131   116.42929   150.01778
   55    54 S   HC   _H13    59     1.09502   110.29336   -87.00916
   56    54 S   HC   _H14    60     1.09502   110.33693   153.22421
   57    54 S   HC   _H15    61     1.09550   112.12250    33.11882
   58    49 S   CT   _C4_    47     1.53699   110.53890   157.83325
   59    58 S   HC   _H7_    48     1.09637   110.55047   -63.09216
   60    58 S   HC   _H8_    49     1.09660   111.10532   179.22167
   61    58 S   HC   _H9_    50     1.09166   113.05588    58.24717
   62    49 S   OH   _O35    51     1.43027   110.32039    41.39954
   63    62 S   HO   _H17    52     0.97338   108.08552   178.35408
  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
  18   8   2   1   1  14   7  17   7   4   1  15   6  11   4   9
   6   7   3   2   1   3   2   1   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    49    58    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    49    58    59    60    61    62    63    48    42    43  
   38    39    40    46    49    58    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    49    58    62    48    50    54    42    43  
   40    41    44    49    48    42    43  
   41    44    45    46    47    49    48    50    51    52    53    54    55    56    57    42    43  
   44    45    46    48    50    54    42  
   43    44    48    49  
    0  
   45    46    47    49    58    62    48    50    51    52    53    54    55    56    57  
   46    47    49    48    50    54  
   47    49    58    59    60    61    62    63    48    50    54  
   49    58    62    48  
   50    51    52    53    54    55    56    57    49  
   58    59    60    61    62    63  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63  
   60    61    62  
   61    62  
   62  
   63  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   275.000  1.510
   38    42   320.000  1.410
   40    41   340.000  1.088
   40    44   260.000  1.509
   40    48   260.000  1.509
   44    45   340.000  1.088
   44    46   290.000  1.496
   44    48   260.000  1.509
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    58   268.000  1.529
   49    62   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   553.000  0.945
   48    50   275.000  1.510
   48    54   275.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.37300
   33    38    42    50.00000  109.50000
   33    49    46    63.00000  111.10000
   33    49    58    58.35000  112.70000
   33    49    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    40.00000  115.04500
   38    40    44    60.00000  120.94000
   38    40    48    60.00000  120.94000
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  109.38400
   40    44    45    37.50000  117.20000
   40    44    46    65.00000  117.18000
   40    44    48    10.00000   60.00500
   40    48    44    10.00000   60.00500
   40    48    50    60.00000  120.94000
   40    48    54    60.00000  120.94000
   44    40    41    37.50000  117.20000
   44    46    47    75.00000  121.36600
   44    46    49    65.00000  117.32000
   44    48    50    60.00000  120.94000
   44    48    54    60.00000  120.94000
   46    44    45    40.00000  116.18000
   46    49    58    63.00000  111.10000
   46    49    62    90.00000  109.61100
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    46    47    80.00000  120.40000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    37.50000  110.70000
   49    62    63    55.00000  108.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    49    58    50.00000  109.50000
   48    40    41    37.50000  117.20000
   48    40    44    10.00000   60.00500
   48    44    45    37.50000  117.20000
   48    44    46    65.00000  117.18000
   48    50    51    45.00000  109.38400
   48    50    52    45.00000  109.38400
   48    50    53    45.00000  109.38400
   48    54    55    45.00000  109.38400
   48    54    56    45.00000  109.38400
   48    54    57    45.00000  109.38400
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    48    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    58   0.44750  1.0 1.0
   29    33    49    58  -0.17800 -1.0 2.0
   29    33    49    58   0.20200  1.0 3.0
   29    33    49    62   0.56750  1.0 1.0
   29    33    49    62  -0.07550 -1.0 2.0
   29    33    49    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.07850  1.0 1.0
   33    38    40    44  -0.03950 -1.0 2.0
   33    38    40    44   0.67350  1.0 3.0
   33    38    40    48   0.07850  1.0 1.0
   33    38    40    48  -0.03950 -1.0 2.0
   33    38    40    48   0.67350  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    49    58    59   0.15000  1.0 3.0
   33    49    58    60   0.15000  1.0 3.0
   33    49    58    61   0.15000  1.0 3.0
   33    49    62    63  -0.11600  1.0 1.0
   33    49    62    63  -0.09450 -1.0 2.0
   33    49    62    63   0.21250  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    49    46  -0.11250  1.0 3.0
   34    33    49    58   0.15000  1.0 3.0
   34    33    49    62   0.23400  1.0 3.0
   38    33    49    46  -0.95700  1.0 1.0
   38    33    49    46  -0.18200 -1.0 2.0
   38    33    49    46   0.29450  1.0 3.0
   38    33    49    58   0.56750  1.0 1.0
   38    33    49    58  -0.07550 -1.0 2.0
   38    33    49    58   0.20000  1.0 3.0
   38    33    49    62   0.86500  1.0 1.0
   38    33    49    62  -0.17500 -1.0 2.0
   38    33    49    62   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    46  -0.95700  1.0 1.0
   38    40   -44    46  -0.18200 -1.0 2.0
   38    40   -44    46   0.29450  1.0 3.0
   38    40   -44    48   0.07850  1.0 1.0
   38    40   -44    48  -0.03950 -1.0 2.0
   38    40   -44    48   0.67350  1.0 3.0
   38    40   -48    44   0.07850  1.0 1.0
   38    40   -48    44  -0.03950 -1.0 2.0
   38    40   -48    44   0.67350  1.0 3.0
   38    40    48    50   0.56750  1.0 1.0
   38    40    48    50  -0.07550 -1.0 2.0
   38    40    48    50   0.20000  1.0 3.0
   38    40    48    54   0.56750  1.0 1.0
   38    40    48    54  -0.07550 -1.0 2.0
   38    40    48    54   0.20000  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    48   0.15000  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   0.30150 -1.0 2.0
   40    44    46    49   0.60050  1.0 1.0
   40    44    46    49   0.05600 -1.0 2.0
   40    44    46    49   0.26150  1.0 3.0
   40    44   -48    50   0.07850  1.0 1.0
   40    44   -48    50  -0.03950 -1.0 2.0
   40    44   -48    50   0.67350  1.0 3.0
   40    44   -48    54   0.07850  1.0 1.0
   40    44   -48    54  -0.03950 -1.0 2.0
   40    44   -48    54   0.67350  1.0 3.0
   40    48    50    51   0.15000  1.0 3.0
   40    48    50    52   0.15000  1.0 3.0
   40    48    50    53   0.15000  1.0 3.0
   40    48    54    55   0.15000  1.0 3.0
   40    48    54    56   0.15000  1.0 3.0
   40    48    54    57   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40   -44    48   0.15000  1.0 3.0
   41    40   -48    44   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    54   0.15000  1.0 3.0
   44    40   -48    50   0.07850  1.0 1.0
   44    40   -48    50  -0.03950 -1.0 2.0
   44    40   -48    50   0.67350  1.0 3.0
   44    40   -48    54   0.07850  1.0 1.0
   44    40   -48    54  -0.03950 -1.0 2.0
   44    40   -48    54   0.67350  1.0 3.0
   44    46   -49    33   0.60050  1.0 1.0
   44    46   -49    33   0.05600 -1.0 2.0
   44    46   -49    33   0.26150  1.0 3.0
   44    46    49    58   0.60050  1.0 1.0
   44    46    49    58   0.05600 -1.0 2.0
   44    46    49    58   0.26150  1.0 3.0
   44    46    49    62   0.55300  1.0 1.0
   44    46    49    62   1.25850 -1.0 2.0
   44    46    49    62  -0.23600  1.0 3.0
   44    48    50    51   0.15000  1.0 3.0
   44    48    50    52   0.15000  1.0 3.0
   44    48    50    53   0.15000  1.0 3.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    56   0.15000  1.0 3.0
   44    48    54    57   0.15000  1.0 3.0
   45    44    46    47   0.50000  1.0 3.0
   45    44    46    49   0.00000  1.0 1.0
   45    44   -48    40   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   46    44   -48    40  -0.95700  1.0 1.0
   46    44   -48    40  -0.18200 -1.0 2.0
   46    44   -48    40   0.29450  1.0 3.0
   46    44    48    50  -0.95700  1.0 1.0
   46    44    48    50  -0.18200 -1.0 2.0
   46    44    48    50   0.29450  1.0 3.0
   46    44    48    54  -0.95700  1.0 1.0
   46    44    48    54  -0.18200 -1.0 2.0
   46    44    48    54   0.29450  1.0 3.0
   46    49    58    59  -0.11250  1.0 3.0
   46    49    58    60  -0.11250  1.0 3.0
   46    49    58    61  -0.11250  1.0 3.0
   46    49    62    63   0.91850  1.0 1.0
   46    49    62    63   0.57950  1.0 3.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    58   0.30150 -1.0 2.0
   47    46    49    62   0.30150 -1.0 2.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.47050  1.0 1.0
   49    33   -38    40   0.03900 -1.0 2.0
   49    33   -38    40   0.20100  1.0 3.0
   49    33    38    42   0.86500  1.0 1.0
   49    33    38    42  -0.17500 -1.0 2.0
   49    33    38    42   0.20800  1.0 3.0
   58    49    62    63  -0.11600  1.0 1.0
   58    49    62    63  -0.09450 -1.0 2.0
   58    49    62    63   0.21250  1.0 3.0
   62    49    58    59   0.23400  1.0 3.0
   62    49    58    60   0.23400  1.0 3.0
   62    49    58    61   0.23400  1.0 3.0
   48    40   -44    45   0.15000  1.0 3.0
   48    40   -44    46  -0.95700  1.0 1.0
   48    40   -44    46  -0.18200 -1.0 2.0
   48    40   -44    46   0.29450  1.0 3.0
   48    44    46    47   0.30150 -1.0 2.0
   48    44    46    49   0.60050  1.0 1.0
   48    44    46    49   0.05600 -1.0 2.0
   48    44    46    49   0.26150  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    57   0.15000  1.0 3.0
   54    48    50    51   0.15000  1.0 3.0
   54    48    50    52   0.15000  1.0 3.0
   54    48    50    53   0.15000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    48   0.86500  1.0 1.0
   42    38    40    48  -0.17500 -1.0 2.0
   42    38    40    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    49    46    47  10.50000 -1.0 2.0
END
