* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    180     341
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.01987    82.14176    52.18007
    3     1 S   H    _H1_     3     1.02078    34.98285  -168.27551
    4     1 S   H    _H2_     4     1.02076    97.20654   -55.77752
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.80641    98.13386   159.99931
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C8_    37     1.52604   108.68243   160.05775
   38    37 S   HC   _H11    38     1.09742   108.67332   -61.35592
   39    33 S   CT   _C12    55     1.53195   108.33853   -80.08255
   40    39 S   HC   _H12    56     1.09641   111.80744    61.13355
   41    39 S   HC   _H13    57     1.09687   111.78529   -60.16574
   42    39 S   HC   _H14    58     1.09631   110.66422  -179.46661
   43    33 S   CT   _C13    59     1.53062   108.71038    39.80569
   44    43 S   HC   _H15    60     1.09657   111.79636   -60.85995
   45    43 S   HC   _H16    61     1.09592   110.68252    58.50063
   46    43 S   HC   _H17    62     1.09647   111.79245   177.90100
   47    37 S   CO4  _C9_    39     1.52371   110.93177    56.17881
   48    47 S   O    _O33    40     1.22487   124.21698   -16.91445
   49    47 S   C3T  _C10    41     1.47865   115.88146   166.13930
   50    49 S   HC   _H3_    42     1.08347   116.22651   138.25186
   51    49 S   C3T  _C5_    43     1.50215   120.48024   -15.78939
   52    51 S   CT   _C6_    44     1.49254   119.99462     4.00428
   53    52 S   HC   _H7_    45     1.09674   109.80873  -143.37004
   54    52 S   HC   _H8_    46     1.09683   108.85274    99.86424
   55    49 S   O3T  _O34    50     1.43941   113.28046   -81.38429
   56    51 S   CT   _C4_    51     1.48690   118.71716   159.33182
   57    56 S   HC   _H4_    52     1.10328   111.79678    23.82746
   58    56 S   HC   _H5_    53     1.10329   111.81156   -96.16068
   59    56 S   HC   _H6_    54     1.10253   111.82906   143.84013
   60    37 S   CT   _C7_    47     1.53477   110.38594   178.26833
   61    60 S   HC   _H9_    48     1.09658   110.29357    54.21082
   62    60 S   HC   _H10    49     1.09855   109.70355   -63.22880
  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  13   5   4   3
  17   2   1   1  21   9   9   3   2   1   5   2   1   1  10   5
  11   4  11  10   6   5   5   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    60    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    52    60    61    62    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    51    52    53    54    60    61    62    55    39    40    41    42    43    44    45    46  
   47    48    49    52    60    61    62    39    43  
   40    41    42    43    44    45    46    47    60  
   41    42    43  
   42    43  
   43  
   44    45    46    47    60  
   45    46  
   46  
    0  
   48    49    50    51    52    60    61    62    55    56  
   49    50    51    60    55  
   50    51    52    53    54    60    55    56    57    58    59  
   51    52    55    56  
   52    53    54    60    61    62    55    56    57    58    59  
   53    54    60    61    62    55    56    57    58    59  
   54    60    61    62    55    56  
   60    61    62    55    56  
   56    57    58    59    60  
   57    58    59    60  
   58    59  
   59  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    60   268.000  1.529
   47    48   570.000  1.229
   47    49   290.000  1.496
   49    50   340.000  1.088
   49    51   260.000  1.509
   49    55   335.000  1.432
   51    52   275.000  1.510
   51    55   335.000  1.432
   51    56   275.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    60    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    65.00000  117.32000
   37    60    52    58.35000  112.70000
   37    60    61    37.50000  110.70000
   37    60    62    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    49    50    40.00000  116.18000
   47    49    51    65.00000  117.18000
   47    49    55    80.00000  114.91000
   49    47    48    75.00000  121.36600
   49    51    52    60.00000  120.94000
   49    51    55    15.00000   60.43100
   49    51    56    60.00000  120.94000
   49    55    51    15.00000   59.14900
   51    49    50    37.50000  117.20000
   51    52    53    45.00000  109.38400
   51    52    54    45.00000  109.38400
   51    52    60    70.00000  112.37300
   51    56    57    45.00000  109.38400
   51    56    58    45.00000  109.38400
   51    56    59    45.00000  109.38400
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   60    37    38    37.50000  110.70000
   60    37    47    63.00000  111.10000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   62    60    61    33.00000  107.80000
   55    49    50    50.00000  114.27700
   55    49    51    15.00000   60.43100
   55    51    52    80.00000  116.47100
   56    51    52    58.35000  112.70000
   56    51    55    80.00000  116.47100
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    60   0.44750  1.0 1.0
   29    33    37    60  -0.17800 -1.0 2.0
   29    33    37    60   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.60050  1.0 1.0
   33    37    47    49   0.05600 -1.0 2.0
   33    37    47    49   0.26150  1.0 3.0
   33    37    60    52   0.56750  1.0 1.0
   33    37    60    52  -0.07550 -1.0 2.0
   33    37    60    52   0.20000  1.0 3.0
   33    37    60    61   0.15000  1.0 3.0
   33    37    60    62   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.60050  1.0 1.0
   37    47    49    51   0.05600 -1.0 2.0
   37    47    49    51   0.26150  1.0 3.0
   37    47    49    55   0.55300  1.0 1.0
   37    47    49    55   1.25850 -1.0 2.0
   37    47    49    55  -0.23600  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   38    37    60    52   0.15000  1.0 3.0
   38    37    60    61   0.15000  1.0 3.0
   38    37    60    62   0.15000  1.0 3.0
   47    37    60    52  -0.95700  1.0 1.0
   47    37    60    52  -0.18200 -1.0 2.0
   47    37    60    52   0.29450  1.0 3.0
   47    37    60    61  -0.11250  1.0 3.0
   47    37    60    62  -0.11250  1.0 3.0
   47    49   -51    52  -0.95700  1.0 1.0
   47    49   -51    52  -0.18200 -1.0 2.0
   47    49   -51    52   0.29450  1.0 3.0
   47    49   -51    55  -0.09450  1.0 1.0
   47    49   -51    55  -1.12950 -1.0 2.0
   47    49   -51    55   0.54000  1.0 3.0
   47    49    51    56  -0.95700  1.0 1.0
   47    49    51    56  -0.18200 -1.0 2.0
   47    49    51    56   0.29450  1.0 3.0
   47    49   -55    51  -1.11000  1.0 1.0
   47    49   -55    51   0.50250 -1.0 2.0
   47    49   -55    51   0.47450  1.0 3.0
   48    47    49    50   0.50000  1.0 3.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    55   0.30150 -1.0 2.0
   49    51    52    53   0.15000  1.0 3.0
   49    51    52    54   0.15000  1.0 3.0
   49    51    52    60   0.07850  1.0 1.0
   49    51    52    60  -0.03950 -1.0 2.0
   49    51    52    60   0.67350  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    59   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49   -51    55   0.23400  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49   -55    51   0.36800  1.0 3.0
   51    52   -60    37   0.47050  1.0 1.0
   51    52   -60    37   0.03900 -1.0 2.0
   51    52   -60    37   0.20100  1.0 3.0
   51    52    60    61   0.15000  1.0 3.0
   51    52    60    62   0.15000  1.0 3.0
   52    51   -55    49   0.06250  1.0 1.0
   52    51   -55    49  -0.01100 -1.0 2.0
   52    51   -55    49   0.28050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    52    60    37   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   54    52    60    37   0.15000  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   60    37    47    48   0.30150 -1.0 2.0
   60    37   -47    49   0.60050  1.0 1.0
   60    37   -47    49   0.05600 -1.0 2.0
   60    37   -47    49   0.26150  1.0 3.0
   55    49   -51    52   0.02550  1.0 1.0
   55    49   -51    52  -0.02600 -1.0 2.0
   55    49   -51    52   1.20400  1.0 3.0
   55    49   -51    56   0.02550  1.0 1.0
   55    49   -51    56  -0.02600 -1.0 2.0
   55    49   -51    56   1.20400  1.0 3.0
   55    51    52    53   0.23400  1.0 3.0
   55    51    52    54   0.23400  1.0 3.0
   55    51    52    60   0.02550  1.0 1.0
   55    51    52    60  -0.02600 -1.0 2.0
   55    51    52    60   1.20400  1.0 3.0
   55    51    56    57   0.23400  1.0 3.0
   55    51    56    58   0.23400  1.0 3.0
   55    51    56    59   0.23400  1.0 3.0
   56    51    52    53   0.15000  1.0 3.0
   56    51    52    54   0.15000  1.0 3.0
   56    51    52    60   0.56750  1.0 1.0
   56    51    52    60  -0.07550 -1.0 2.0
   56    51    52    60   0.20000  1.0 3.0
   56    51   -55    49   0.06250  1.0 1.0
   56    51   -55    49  -0.01100 -1.0 2.0
   56    51   -55    49   0.28050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    60   0.56750  1.0 1.0
   39    33    37    60  -0.07550 -1.0 2.0
   39    33    37    60   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    60   0.56750  1.0 1.0
   43    33    37    60  -0.07550 -1.0 2.0
   43    33    37    60   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    47    48  10.50000 -1.0 2.0
END
