* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    110    169     326
    1     0 S   NP   _N1_     1    31.31725   100.43164   -19.65171
    2     1 S   H    _HN1     2     1.02910   111.78937  -120.98177
    3     1 S   H    _H1_     3     1.02843    42.85580   145.49752
    4     1 S   H    _H2_     4     1.03345   136.41041    84.76565
    5     1 S   CT   _CA1     5     1.50615    69.80870   -14.54925
    6     5 S   HC   _HA1     6     1.09652   104.29398    86.45417
    7     5 S   CO3  _C1_     7     1.54311   112.17438   -29.00606
    8     7 S   O2Z  _O11     8     1.26648   114.06989    39.47999
    9     7 S   O2Z  _O12     9     1.26079   116.65444  -140.90207
   10     5 S   CT   _CB1    10     1.52949   106.62133  -156.78242
   11    10 S   HC   HB11    11     1.09444   109.59245   -28.57088
   12    10 S   HC   HB12    12     1.09780   110.60421    87.30203
   13    10 S   CT   _CG1    13     1.52964   112.86955  -149.66981
   14    13 S   HC   HG11    14     1.09479   111.25285   -63.29473
   15    13 S   HC   HG12    15     1.09625   110.65593    55.98951
   16    13 S   C    _CD1    16     1.51554   110.43584   176.19409
   17    16 S   O    _OE1    17     1.22848   121.90706   108.18873
   18    16 S   N    _N2_    18     1.38437   112.88252   -70.90249
   19    18 S   H    _HN2    19     1.01824   119.19295     0.52265
   20    18 S   CT1  _CA2    20     1.45820   123.00048   175.67804
   21    20 S   HC   _HA2    21     1.09695   108.63414    30.34574
   22    20 S   C    _C2_    22     1.53293   109.00877   -86.19726
   23    22 S   O    _O2_    23     1.23165   120.94346   154.87272
   24    20 S   CT   _CB2    32     1.53208   111.94242   153.45694
   25    24 S   HC   HB21    33     1.09531   109.96569    60.22621
   26    24 S   HC   HB22    34     1.09561   110.16922   177.78795
   27    22 S   N    _N3_    24     1.38399   114.72822   -32.31462
   28    27 S   H    _HN3    25     1.01636   119.44957     2.27529
   29    24 S   S    _SG2    35     1.83095   111.62345   -62.74720
   30    27 S   CT   _CA3    26     1.45304   122.97389  -177.95684
   31    30 S   HC   HA31    27     1.09557   108.31602   -46.55118
   32    30 S   HC   HA32    28     1.09571   107.04269    69.60125
   33    29 S   CT   _C10    36     1.83418    99.76031   132.32911
   34    33 S   HC   _H3_    37     1.09230   107.76335   -36.22366
   35    30 S   CO3  _C3_    29     1.53016   114.46300  -168.34737
   36    35 S   O2Z  _O31    30     1.26349   116.26026    22.27333
   37    35 S   O2Z  _O32    31     1.26468   114.41832  -158.24351
   38    33 S   CM   _C4_    38     1.50648   109.56156    78.24001
   39    38 S   HC   _H19    39     1.08734   117.51772   -63.55028
   40    38 S   CM   _C5_    40     1.33933   124.13193   119.52481
   41    40 S   HC   _H20    41     1.08592   119.27542   177.44756
   42    40 S   CT   _C11    42     1.49938   123.01230    -3.65747
   43    42 S   HC   _H22    43     1.09642   108.61639  -137.26185
   44    42 S   CT   _C12    44     1.53972   114.36476   -14.51716
   45    44 S   HC   _H23    45     1.09882   106.63848   160.43067
   46    42 S   OH   _O17    61     1.42999   108.54439   107.65476
   47    46 S   HO   _H28    62     0.97165   107.73373    53.19785
   48    33 S   CM   _C6_    46     1.53278   110.83779  -155.30374
   49    44 S   CO3  _C8_    58     1.54621   113.73613   -84.23509
   50    49 S   O2Z  _O13    59     1.26457   116.49392    14.64662
   51    49 S   O2Z  _O15    60     1.26610   115.18951  -163.69253
   52    48 S   CMA  _C7_    47     1.36871   123.52000    93.82536
   53    52 S   OM   _O33    48     1.26502   130.33852   174.94305
   54    52 S   CT   _C13    49     1.53623   119.90133    -7.64498
   55    54 S   HC   _H24    50     1.10213   111.22894  -147.82342
   56    54 S   HC   _H25    51     1.09464   109.38802   -35.35708
   57    54 S   CT   _C14    52     1.53258   113.68145    89.49819
   58    57 S   HC   _H26    53     1.09627   110.34290    80.28656
   59    57 S   HC   _H27    54     1.09624   111.86010   -38.73959
   60    57 S   CO3  _C9_    55     1.52749   108.97561  -158.07235
   61    60 S   O2Z  _O14    56     1.26447   115.41751    68.25169
   62    60 S   O2Z  _O16    57     1.26378   115.46759  -112.05070
  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   8   5   4   3
  13   6   2   1   1   9   4   9   4  10   6  10   6   3   1   9
   3   1   1   8   4   8   5   4   5   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    44    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    48    52    53    54    49  
   38    39    40    44    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    52    46  
   40    41    42    48  
   41    42    43    44    45    48    49    46    47  
   42    43    44    46  
   43    44    45    48    52    49    50    51    46    47  
   44    45    48    49    46    47  
   45    48    52    53    54    49    50    51    46    47  
   48    52    49    50    51    46  
   47    48    49  
    0  
   52    53    54    55    56    57    49    50    51  
   50    51    52  
   51  
    0  
   53    54    55    56    57    58    59    60  
   54    55    56    57  
   55    56    57    58    59    60    61    62  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   317.000  1.510
   33    48   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   317.000  1.510
   44    49   317.000  1.522
   48    52   465.000  1.376
   52    53   745.000  1.250
   52    54   270.000  1.512
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   49    50   656.000  1.250
   49    51   656.000  1.250
   46    47   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  112.20000
   29    33    48    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    44    65.00000  117.92700
   33    48    52    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    48    70.00000  112.02700
   42    44    49    70.00000  109.69300
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    52    70.00000  124.00000
   44    49    50    70.00000  117.00000
   44    49    51    70.00000  117.00000
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  110.12100
   48    44    45    35.00000  109.50000
   48    52    53    65.00000  137.10300
   48    52    54    65.00000  122.18000
   52    54    55    45.00000  110.52000
   52    54    56    45.00000  110.52000
   52    54    57    70.00000  112.02700
   54    52    53    85.00000  112.85300
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    70.00000  109.69300
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    70.00000  117.00000
   57    60    62    70.00000  117.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   62    60    61    80.00000  126.00000
   49    44    45    35.00000  109.50000
   49    44    48    65.00000  111.94000
   51    49    50    80.00000  126.00000
   46    42    43    35.00000  109.50000
   46    42    44    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    44   0.30250  1.0 1.0
   29    33    48    44  -0.14950 -1.0 2.0
   29    33    48    44   0.36900  1.0 3.0
   29    33    48    52   0.42700  1.0 1.0
   29    33    48    52  -0.70350 -1.0 2.0
   29    33    48    52  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    52    53   7.00000 -1.0 2.0
   33    48    52    54   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44   0.34800  1.0 3.0
   34    33    48    52   0.00000  1.0 1.0
   38    33    48    44   0.09700  1.0 1.0
   38    33    48    44   0.15600 -1.0 2.0
   38    33    48    44  -0.50800  1.0 3.0
   38    33    48    52  -0.28300  1.0 1.0
   38    33    48    52   0.26700 -1.0 2.0
   38    33    48    52  -0.63300  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.67800  1.0 1.0
   38    40    42    46   0.47050 -1.0 2.0
   38    40    42    46  -0.62500  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    48   0.31000  1.0 1.0
   40    42    44    48   0.14700 -1.0 2.0
   40    42    44    48   0.07550  1.0 3.0
   40    42    44    49  -0.98800  1.0 1.0
   40    42    44    49   0.48800 -1.0 2.0
   40    42    44    49   0.76800  1.0 3.0
   40    42    46    47  -0.07800  1.0 1.0
   40    42    46    47  -0.21500 -1.0 2.0
   40    42    46    47  -0.03150  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -48    33   0.46850  1.0 1.0
   42    44   -48    33   0.08550 -1.0 2.0
   42    44   -48    33   0.09800  1.0 3.0
   42    44    48    52   0.09850  1.0 1.0
   42    44    48    52   0.15250 -1.0 2.0
   42    44    48    52  -0.50650  1.0 3.0
   42    44    49    50   0.41150 -1.0 2.0
   42    44    49    51   0.41150 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    49  -0.11250  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    52    53   7.00000 -1.0 2.0
   44    48    52    54   7.00000 -1.0 2.0
   45    44    48    33   0.34800  1.0 3.0
   45    44    48    52   0.00000  1.0 1.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40  -0.28300  1.0 1.0
   48    33   -38    40   0.26700 -1.0 2.0
   48    33   -38    40  -0.63300  1.0 3.0
   48    44    49    50   0.30150 -1.0 2.0
   48    44    49    51   0.30150 -1.0 2.0
   48    52    54    55   0.00000  1.0 1.0
   48    52    54    56   0.00000  1.0 1.0
   48    52    54    57   0.09850  1.0 1.0
   48    52    54    57   0.15250 -1.0 2.0
   48    52    54    57  -0.50650  1.0 3.0
   52    54    57    58   0.15000  1.0 3.0
   52    54    57    59   0.15000  1.0 3.0
   52    54    57    60  -0.98800  1.0 1.0
   52    54    57    60   0.48800 -1.0 2.0
   52    54    57    60   0.76800  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.09700  1.0 1.0
   53    52    54    57   0.15600 -1.0 2.0
   53    52    54    57  -0.50800  1.0 3.0
   54    57    60    61   0.41150 -1.0 2.0
   54    57    60    62   0.41150 -1.0 2.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60  -0.11250  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60  -0.11250  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   49    44    48    33   0.17250  1.0 1.0
   49    44    48    33  -0.04100 -1.0 2.0
   49    44    48    33  -0.33850  1.0 3.0
   49    44    48    52  -0.51250  1.0 1.0
   49    44    48    52  -0.88800 -1.0 2.0
   49    44    48    52   0.08850  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   1.05650  1.0 1.0
   46    42    44    48   0.15600 -1.0 2.0
   46    42    44    48   0.53150  1.0 3.0
   46    42    44    49  -5.33000  1.0 1.0
   46    42    44    49  -0.54250 -1.0 2.0
   46    42    44    49  -0.07300  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   33    44    48    52   1.10000 -1.0 2.0
   54    53    52    48   1.10000 -1.0 2.0
   61    57    60    62  10.50000 -1.0 2.0
   50    44    49    51  10.50000 -1.0 2.0
END
