* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    125    192     368
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091   106.55372   -10.84823
    3     1 S   H    _H1_     3     1.02067    53.96939    90.50222
    4     1 S   H    _H2_     4     1.02131    58.14316  -112.88411
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C14    36     1.82319    98.12881   -78.13441
   34    33 S   HC   _H15    37     1.09285   107.04014   -60.02461
   35    33 S   HC   _H16    38     1.09465   106.94391    56.21244
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C13    39     1.53578   111.26068   177.78910
   40    39 S   HC   _H4_    40     1.09749   108.54601   -40.55322
   41    39 S   CT   _C11    41     1.54445   114.35870  -160.51940
   42    39 S   OH   _O34    69     1.42852   109.50661    76.03267
   43    42 S   HO   _H17    70     0.96882   106.34400   -60.04251
   44    41 S   CD   _C6_    42     1.50997   112.94334    60.60536
   45    41 S   CT   _C12    63     1.52718   112.24280  -177.65315
   46    45 S   HC   _H12    64     1.09580   112.21271    55.18234
   47    45 S   HC   _H13    65     1.09686   111.01170   -65.28132
   48    45 S   HC   _H14    66     1.09528   110.57523   176.69773
   49    41 S   OH   _O35    67     1.42205   110.50846   -57.89071
   50    49 S   HO   _H18    68     0.97028   106.68142    62.67437
   51    44 S   CT   _C5_    43     1.52062   117.40583  -115.60782
   52    51 S   HC   _H3_    44     1.09521   108.34687    42.60144
   53    51 S   NE   _N8_    45     1.44697   110.64011   161.64605
   54    53 S   H    _H11    46     1.01570   116.94774  -165.93750
   55    51 S   CT   _C4_    59     1.52402   110.25923   -77.26627
   56    55 S   HC   _H5_    60     1.08969   110.04850   -60.83207
   57    55 S   HC   _H6_    61     1.09025   109.96986   179.14225
   58    55 S   HC   _H7_    62     1.09021   109.98880    59.16120
   59    53 S   CM   _C8_    47     1.36716   123.30552    24.35590
   60    59 S   CM   _C7_    48     1.50258   115.67244   -11.36753
   61    60 S   C    _C10    49     1.49718   119.19475   174.47288
   62    61 S   O    _O33    50     1.21491   123.52386  -175.02161
   63    44 S   NI   _N4_    58     1.29736   117.79384    66.96107
   64    61 S   N    _N6_    51     1.42377   113.28774     5.92874
   65    64 S   H    _H8_    52     1.01642   119.89995   177.49673
   66    64 S   CDX  _C9_    53     1.33863   122.94485    -2.53783
   67    59 S   NI   _N5_    54     1.29790   125.69304   168.99382
   68    66 S   NE   _N7_    55     1.33167   118.04275   179.13929
   69    68 S   H    _H9_    56     1.01255   120.23496   179.46881
   70    68 S   H    _H10    57     1.01212   120.21875    -0.47683
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  15   4   1  18   7   3   2   1
   3   1  11   8  11   4   5   2   1   1   8   7   7   4   2   6
   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    45    49    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    51    63    45    46    47    48    49    50    42    43  
   41    44    45    49    42    43  
   44    51    52    53    60    63    55    45    46    47    48    49    50    42    43  
   43    44    45    49  
    0  
   51    52    53    54    59    60    61    63    55    56    57    58    45    46    47    48    49    50  
   46    47    48    49    50    51    63  
   47    48    49  
   48    49  
   49  
   50    51    63  
    0  
   52    53    54    59    60    67    63    55    56    57    58  
   53    54    59    63    55    56    57    58  
   54    59    60    61    66    67    63    55    56    57    58  
   59    60    67    55  
   56    57    58    59    63  
   57    58  
   58  
    0  
   60    61    62    64    66    67    68    63  
   61    62    64    65    66    67    63  
   62    64    65    66    67    68    63  
   64    65    66    63  
   64    67  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.301100   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.211400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.065800   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   64   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   66   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   67   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   68   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    42   320.000  1.410
   41    44   270.000  1.508
   41    45   268.000  1.529
   41    49   320.000  1.410
   44    51   270.000  1.508
   44    63   500.000  1.261
   51    52   340.000  1.090
   51    53   382.000  1.448
   51    55   268.000  1.529
   53    54   434.000  1.010
   53    59   425.000  1.378
   59    60   549.000  1.340
   59    67   405.000  1.380
   60    61   410.000  1.444
   60    63   405.000  1.380
   61    62   570.000  1.229
   61    64   490.000  1.335
   64    65   434.000  1.010
   64    66   400.000  1.380
   66    67   650.000  1.285
   66    68   445.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    70.00000  111.76100
   39    41    45    58.35000  112.70000
   39    41    49    50.00000  109.50000
   39    42    43    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    44    51    65.00000  114.98000
   41    44    63    65.00000  122.10100
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   44    51    52    45.00000  109.49600
   44    51    53    80.00000  112.42400
   44    51    55    70.00000  111.76100
   44    63    60    75.00000  115.77100
   51    53    54    35.00000  112.50000
   51    53    59    50.00000  121.00000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    59    60    70.00000  124.03900
   53    59    67    85.00000  113.56000
   59    53    54    35.00000  114.50000
   59    60    61    70.00000  118.70000
   59    60    63    70.00000  120.83400
   59    67    66    70.00000  116.49400
   60    61    62    80.00000  125.30000
   60    61    64    80.00000  111.56200
   61    64    65    35.00000  119.80000
   61    64    66    70.00000  120.51600
   64    61    62    80.00000  122.90000
   64    66    67    80.00000  119.04400
   64    66    68    85.00000  111.44000
   66    64    65    45.00000  120.05200
   66    68    69    35.00000  119.50000
   66    68    70    35.00000  119.50000
   67    59    60    70.00000  120.83400
   68    66    67    75.00000  124.36500
   70    68    69    35.00000  109.00000
   63    44    51    65.00000  122.10100
   63    60    61    70.00000  120.00000
   55    51    52    37.50000  110.70000
   55    51    53    80.00000  111.61500
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   45    41    44    70.00000  111.76100
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    44   100.00000  111.90000
   49    41    45    50.00000  109.50000
   42    39    40    35.00000  109.50000
   42    39    41    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.34400  1.0 1.0
   33    39    41    44   0.09450 -1.0 2.0
   33    39    41    44   0.11100  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    49   0.86500  1.0 1.0
   33    39    41    49  -0.17500 -1.0 2.0
   33    39    41    49   0.20800  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    41    44    51   0.46850  1.0 1.0
   39    41    44    51   0.08550 -1.0 2.0
   39    41    44    51   0.09800  1.0 3.0
   39    41    44    63   0.00000  1.0 1.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    47   0.15000  1.0 3.0
   39    41    45    48   0.15000  1.0 3.0
   39    41    49    50  -0.11600  1.0 1.0
   39    41    49    50  -0.09450 -1.0 2.0
   39    41    49    50   0.21250  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    49   0.23400  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   41    39    42    43  -0.11600  1.0 1.0
   41    39    42    43  -0.09450 -1.0 2.0
   41    39    42    43   0.21250  1.0 3.0
   41    44    51    52   0.00000  1.0 1.0
   41    44    51    53   0.00000  1.0 1.0
   41    44    51    55   0.46850  1.0 1.0
   41    44    51    55   0.08550 -1.0 2.0
   41    44    51    55   0.09800  1.0 3.0
   41    44    63    60   6.00000 -1.0 2.0
   44    41    45    46   0.15000  1.0 3.0
   44    41    45    47   0.15000  1.0 3.0
   44    41    45    48   0.15000  1.0 3.0
   44    41    49    50  -0.07800  1.0 1.0
   44    41    49    50  -0.21500 -1.0 2.0
   44    41    49    50  -0.03150  1.0 3.0
   44    51    53    54  -0.12500  1.0 1.0
   44    51    53    54  -0.12500 -1.0 2.0
   44    51    53    54   0.25000  1.0 3.0
   44    51    53    59  -0.12500  1.0 1.0
   44    51    53    59  -0.12500 -1.0 2.0
   44    51    53    59   0.25000  1.0 3.0
   44    51    55    56   0.15000  1.0 3.0
   44    51    55    57   0.15000  1.0 3.0
   44    51    55    58   0.15000  1.0 3.0
   51    44    63    60   6.00000 -1.0 2.0
   51    53   -59    60  -0.54700  1.0 1.0
   51    53   -59    60   1.23000 -1.0 2.0
   51    53    59    67   1.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    59   0.00000  1.0 1.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.22950  1.0 3.0
   53    51    55    57   0.22950  1.0 3.0
   53    51    55    58   0.22950  1.0 3.0
   53    59    60    61   7.00000 -1.0 2.0
   53    59    60    63   7.00000 -1.0 2.0
   53    59    67    66   1.00000 -1.0 2.0
   54    53    59    60   1.00000 -1.0 2.0
   54    53    59    67   1.00000 -1.0 2.0
   59    60    61    62   1.00000 -1.0 2.0
   59    60    61    64   0.49500  1.0 1.0
   59    60    61    64   1.31600 -1.0 2.0
   59    60    61    64  -0.02300  1.0 3.0
   59    60   -63    44   1.00000 -1.0 2.0
   60    59    67    66   1.00000 -1.0 2.0
   60    61    64    65   2.56700 -1.0 2.0
   60    61   -64    66   2.45000 -1.0 2.0
   61    60    63    44   1.00000 -1.0 2.0
   61    64    66    67  -0.56400  1.0 1.0
   61    64    66    67   0.77500 -1.0 2.0
   61    64    66    67   0.18700  1.0 3.0
   61    64    66    68  -0.56400  1.0 1.0
   61    64    66    68   0.77500 -1.0 2.0
   61    64    66    68   0.18700  1.0 3.0
   62    61    64    65   2.45000 -1.0 2.0
   62    61    64    66   2.67200 -1.0 2.0
   64    66   -67    59   6.00000 -1.0 2.0
   64    66    68    69   1.00000 -1.0 2.0
   64    66    68    70   1.00000 -1.0 2.0
   65    64    66    67   1.00000 -1.0 2.0
   65    64    66    68   1.00000 -1.0 2.0
   67    59   -60    61   7.00000 -1.0 2.0
   67    59    60    63   7.00000 -1.0 2.0
   67    66    68    69   1.50000 -1.0 2.0
   67    66    68    70   1.50000 -1.0 2.0
   68    66    67    59   6.00000 -1.0 2.0
   63    44    51    52   0.00000  1.0 1.0
   63    44   -51    53   0.00000  1.0 1.0
   63    44    51    55   0.00000  1.0 1.0
   63    60    61    62  -0.52200  1.0 1.0
   63    60    61    62   0.82950 -1.0 2.0
   63    60    61    64   1.50000 -1.0 2.0
   55    51    53    54   0.00000  1.0 1.0
   55    51    53    59   0.25450  1.0 1.0
   55    51    53    59  -0.61700 -1.0 2.0
   55    51    53    59  -0.23550  1.0 3.0
   45    41    44    51   0.46850  1.0 1.0
   45    41    44    51   0.08550 -1.0 2.0
   45    41    44    51   0.09800  1.0 3.0
   45    41    44    63   0.00000  1.0 1.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    44    51   0.18000  1.0 1.0
   49    41    44    51   0.16450 -1.0 2.0
   49    41    44    51   0.04450  1.0 3.0
   49    41    44    63   0.00000  1.0 1.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   42    39    41    44   1.05650  1.0 1.0
   42    39    41    44   0.15600 -1.0 2.0
   42    39    41    44   0.53150  1.0 3.0
   42    39    41    45   0.86500  1.0 1.0
   42    39    41    45  -0.17500 -1.0 2.0
   42    39    41    45   0.20800  1.0 3.0
   42    39    41    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   41    51    44    63  10.50000 -1.0 2.0
   54    59    53    51   1.00000 -1.0 2.0
   53    67    59    60   1.10000 -1.0 2.0
   61    63    60    59   1.10000 -1.0 2.0
   60    64    61    62  10.50000 -1.0 2.0
   65    61    64    66   1.00000 -1.0 2.0
   64    68    66    67  10.50000 -1.0 2.0
   70    66    68    69   1.00000 -1.0 2.0
END
