* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    127    188     372
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    88.49667   -71.55498
    3     1 S   H    _H1_     3     1.02067    92.04305    37.08085
    4     1 S   H    _H2_     4     1.02140    32.96829   159.40422
    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   _C9_    36     1.85369   101.06751  -160.03200
   34    33 S   Cl   Cl1_    37     1.80705   108.53686    63.86362
   35    33 S   Cl   Cl2_    38     1.81486   106.27158   178.02722
   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   _C8_    39     1.55059   114.17354   -59.93900
   40    39 S   HC   _H3_    40     1.09549   109.77154  -149.97709
   41    39 S   NTH0 _N5_    41     1.46176   112.44514   -29.58531
   42    39 S   N    _N6_    66     1.45961   112.52567    90.25543
   43    42 S   H    _H13    67     1.01471   118.08792   -88.99314
   44    41 S   CT   _C4_    42     1.46784   110.85483   178.63929
   45    44 S   HC   _H5_    43     1.09926   110.87678    57.75487
   46    44 S   HC   _H6_    44     1.09676   109.74812   -60.48406
   47    42 S   C    _C10    68     1.37791   123.83385    90.96405
   48    47 S   O    _O33    69     1.22387   127.93828     0.01978
   49    47 S   HC   _H14    70     1.10282   110.44968  -179.96574
   50    44 S   CT   _C5_    45     1.53224   110.94862   179.82754
   51    50 S   HC   _H7_    46     1.09912   109.57713    65.80049
   52    50 S   HC   _H8_    47     1.09644   108.33779  -177.39533
   53    50 S   NTH0 _N4_    48     1.46801   110.84543   -56.93649
   54    53 S   CT   _C6_    49     1.46853   110.40128    56.75931
   55    54 S   HC   _H9_    50     1.09676   109.72008  -176.38156
   56    54 S   HC   _H10    51     1.09851   110.92429    65.23416
   57    53 S   CT   _C11    55     1.46172   110.80996   179.85329
   58    57 S   HC   _H4_    56     1.09714   105.48366    40.00657
   59    41 S   CT   _C7_    52     1.46801   110.81383   -58.39856
   60    59 S   HC   _H11    53     1.09747   109.75942    60.57132
   61    59 S   HC   _H12    54     1.09841   110.92900   -57.84175
   62    57 S   CT   _C12    57     1.54320   112.34807   159.18978
   63    62 S   Cl   Cl3_    58     1.79796   110.48067    93.17396
   64    62 S   Cl   Cl4_    59     1.79375   111.61059   -27.52901
   65    62 S   Cl   Cl5_    60     1.79775   110.35770  -148.11206
   66    57 S   N    _N7_    61     1.45962   109.41602   -75.60029
   67    66 S   H    _H15    62     1.01552   118.26241   -65.79336
   68    66 S   C    _C13    63     1.37738   123.43664   114.28705
   69    68 S   O    _O34    64     1.22474   127.80914    -0.09691
   70    68 S   HC   _H16    65     1.10185   110.52982  -179.93439
  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  15   6  16   6   3  11   6   5   2   1
   1  11   4   3  15   9   5   4  11   7   2   1   1   6   3   2
   1   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    59    42    43    47  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    46    50    54    59    60    61    42    43    47    48    49  
   41    44    59    42    43    47  
   44    45    46    50    51    52    53    54    55    56    59    60    61    42    43    47  
   43    47    48    49    44    59  
   47    48    49  
   45    46    50    51    52    53    54    59    60    61    57  
   46    50    51    52    53    59  
   50    51    52    53    59  
   48    49  
   49  
    0  
   51    52    53    54    55    56    59    57    58    62    66  
   52    53    54    57  
   53    54    57  
   54    55    56    59    60    61    57    58    62    63    64    65    66    67    68  
   55    56    59    60    61    57    58    62    66  
   56    59    60    61    57  
   59    60    61    57  
   58    62    63    64    65    66    67    68    69    70    59  
   62    63    64    65    66    67    68  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66  
   66  
   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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   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   0.478600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   42   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.608400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   63   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   64   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   65   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   66   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   2.4200   0.0150   0.000000   1.3810   1.2100   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    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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   310.000  1.447
   39    42   337.000  1.449
   41    44   310.000  1.447
   41    59   310.000  1.447
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   310.000  1.447
   53    54   310.000  1.447
   53    57   310.000  1.447
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    66   337.000  1.449
   62    63   245.000  1.781
   62    64   245.000  1.781
   62    65   245.000  1.781
   66    67   434.000  1.010
   66    68   490.000  1.335
   68    69   570.000  1.229
   68    70   350.000  1.101
   42    43   434.000  1.010
   42    47   490.000  1.335
   47    48   570.000  1.229
   47    49   350.000  1.101
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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    75.00000  113.73300
   33    39    42    70.00000  110.72300
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    44    80.00000  110.40700
   39    41    59    80.00000  110.40700
   39    42    43    38.00000  118.40000
   39    42    47    50.00000  121.90000
   41    39    40    50.00000  110.15500
   41    44    45    50.00000  110.15500
   41    44    46    50.00000  110.15500
   41    44    50    75.00000  113.73300
   41    59    54    75.00000  113.73300
   41    59    60    50.00000  110.15500
   41    59    61    50.00000  110.15500
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    75.00000  113.73300
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    53    54    80.00000  110.40700
   50    53    57    80.00000  110.40700
   52    50    51    33.00000  107.80000
   53    50    51    50.00000  110.15500
   53    50    52    50.00000  110.15500
   53    54    55    50.00000  110.15500
   53    54    56    50.00000  110.15500
   53    54    59    75.00000  113.73300
   53    57    58    50.00000  110.15500
   53    57    62    75.00000  113.73300
   53    57    66    80.00000  116.76000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    41    44    80.00000  110.40700
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   57    53    54    80.00000  110.40700
   57    62    63    69.00000  109.80000
   57    62    64    69.00000  109.80000
   57    62    65    69.00000  109.80000
   57    66    67    38.00000  118.40000
   57    66    68    50.00000  121.90000
   62    57    58    37.50000  110.70000
   64    62    63    80.00000  110.42200
   65    62    63    80.00000  110.42200
   65    62    64    80.00000  110.42200
   66    57    58    35.00000  109.50000
   66    57    62    70.00000  110.72300
   66    68    69    80.00000  122.90000
   66    68    70    50.00000  110.38700
   68    66    67    35.00000  119.80000
   70    68    69    50.00000  124.15400
   42    39    40    35.00000  109.50000
   42    39    41    80.00000  116.76000
   42    47    48    80.00000  122.90000
   42    47    49    50.00000  110.38700
   47    42    43    35.00000  119.80000
   49    47    48    50.00000  124.15400
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   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
   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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  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   1.99000  1.0 1.0
   33    39    41    44   0.18800 -1.0 2.0
   33    39    41    44   0.81350  1.0 3.0
   33    39    41    59   1.99000  1.0 1.0
   33    39    41    59   0.18800 -1.0 2.0
   33    39    41    59   0.81350  1.0 3.0
   33    39    42    43   0.00000  1.0 1.0
   33    39    42    47  -0.43950  1.0 1.0
   33    39    42    47  -0.08100 -1.0 2.0
   33    39    42    47   0.03350  1.0 3.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    41    44    45   0.28000  1.0 3.0
   39    41    44    46   0.28000  1.0 3.0
   39    41    44    50   0.58650  1.0 1.0
   39    41    44    50   0.12600 -1.0 2.0
   39    41    44    50   0.33350  1.0 3.0
   39    41    59    54   0.58650  1.0 1.0
   39    41    59    54   0.12600 -1.0 2.0
   39    41    59    54   0.33350  1.0 3.0
   39    41    59    60   0.28000  1.0 3.0
   39    41    59    61   0.28000  1.0 3.0
   39    42    47    48   3.04450 -1.0 2.0
   39    42    47    49   0.64600  1.0 1.0
   39    42    47    49   0.00100 -1.0 2.0
   39    42    47    49   0.30400  1.0 3.0
   40    39    41    44   0.28000  1.0 3.0
   40    39    41    59   0.28000  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    47   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    47  -0.42300  1.0 1.0
   41    39    42    47  -0.07000 -1.0 2.0
   41    39    42    47   0.04150  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    53   2.12850  1.0 1.0
   41    44    50    53  -1.41900 -1.0 2.0
   44    41    59    54   1.99000  1.0 1.0
   44    41    59    54   0.18800 -1.0 2.0
   44    41    59    54   0.81350  1.0 3.0
   44    41    59    60   0.28000  1.0 3.0
   44    41    59    61   0.28000  1.0 3.0
   44    50   -53    54   1.99000  1.0 1.0
   44    50   -53    54   0.18800 -1.0 2.0
   44    50   -53    54   0.81350  1.0 3.0
   44    50    53    57   0.58650  1.0 1.0
   44    50    53    57   0.12600 -1.0 2.0
   44    50    53    57   0.33350  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   50    53    54    55   0.28000  1.0 3.0
   50    53    54    56   0.28000  1.0 3.0
   50    53    54    59   1.99000  1.0 1.0
   50    53    54    59   0.18800 -1.0 2.0
   50    53    54    59   0.81350  1.0 3.0
   50    53    57    58   0.28000  1.0 3.0
   50    53    57    62   1.99000  1.0 1.0
   50    53    57    62   0.18800 -1.0 2.0
   50    53    57    62   0.81350  1.0 3.0
   50    53    57    66   0.23200  1.0 1.0
   50    53    57    66   0.02100 -1.0 2.0
   50    53    57    66   0.24950  1.0 3.0
   51    50    53    54   0.28000  1.0 3.0
   51    50    53    57   0.28000  1.0 3.0
   52    50    53    54   0.28000  1.0 3.0
   52    50    53    57   0.28000  1.0 3.0
   53    54   -59    41   2.12850  1.0 1.0
   53    54   -59    41  -1.41900 -1.0 2.0
   53    54    59    60   0.15000  1.0 3.0
   53    54    59    61   0.15000  1.0 3.0
   53    57    62    63   0.56750  1.0 1.0
   53    57    62    63  -0.07550 -1.0 2.0
   53    57    62    63   0.20000  1.0 3.0
   53    57    62    64   0.56750  1.0 1.0
   53    57    62    64  -0.07550 -1.0 2.0
   53    57    62    64   0.20000  1.0 3.0
   53    57    62    65   0.56750  1.0 1.0
   53    57    62    65  -0.07550 -1.0 2.0
   53    57    62    65   0.20000  1.0 3.0
   53    57    66    67   0.00000  1.0 1.0
   53    57    66    68  -0.42300  1.0 1.0
   53    57    66    68  -0.07000 -1.0 2.0
   53    57    66    68   0.04150  1.0 3.0
   54    53    57    58   0.28000  1.0 3.0
   54    53    57    62   1.99000  1.0 1.0
   54    53    57    62   0.18800 -1.0 2.0
   54    53    57    62   0.81350  1.0 3.0
   54    53    57    66   0.23200  1.0 1.0
   54    53    57    66   0.02100 -1.0 2.0
   54    53    57    66   0.24950  1.0 3.0
   55    54    59    41   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    41   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    41    44    45   0.28000  1.0 3.0
   59    41    44    46   0.28000  1.0 3.0
   59    41   -44    50   1.99000  1.0 1.0
   59    41   -44    50   0.18800 -1.0 2.0
   59    41   -44    50   0.81350  1.0 3.0
   57    53    54    55   0.28000  1.0 3.0
   57    53    54    56   0.28000  1.0 3.0
   57    53    54    59   0.58650  1.0 1.0
   57    53    54    59   0.12600 -1.0 2.0
   57    53    54    59   0.33350  1.0 3.0
   57    66    68    69   3.04450 -1.0 2.0
   57    66    68    70   0.64600  1.0 1.0
   57    66    68    70   0.00100 -1.0 2.0
   57    66    68    70   0.30400  1.0 3.0
   58    57    62    63   0.27000  1.0 3.0
   58    57    62    64   0.27000  1.0 3.0
   58    57    62    65   0.27000  1.0 3.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   62    57    66    67   0.00000  1.0 1.0
   62    57    66    68  -0.43950  1.0 1.0
   62    57    66    68  -0.08100 -1.0 2.0
   62    57    66    68   0.03350  1.0 3.0
   66    57    62    63   0.56750  1.0 1.0
   66    57    62    63  -0.07550 -1.0 2.0
   66    57    62    63   0.20000  1.0 3.0
   66    57    62    64   0.56750  1.0 1.0
   66    57    62    64  -0.07550 -1.0 2.0
   66    57    62    64   0.20000  1.0 3.0
   66    57    62    65   0.56750  1.0 1.0
   66    57    62    65  -0.07550 -1.0 2.0
   66    57    62    65   0.20000  1.0 3.0
   67    66    68    69   2.45000 -1.0 2.0
   67    66    68    70   2.56700 -1.0 2.0
   42    39    41    44   0.23200  1.0 1.0
   42    39    41    44   0.02100 -1.0 2.0
   42    39    41    44   0.24950  1.0 3.0
   42    39    41    59   0.23200  1.0 1.0
   42    39    41    59   0.02100 -1.0 2.0
   42    39    41    59   0.24950  1.0 3.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    49   2.56700 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   67    68    66    57   1.00000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   43    47    42    39   1.00000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
END
