* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    148    240     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02057   105.16814   -31.07148
    3     1 S   H    _H1_     3     1.02043    66.34196    73.09620
    4     1 S   H    _H2_     4     1.02151    46.36645  -132.63659
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C10    36     1.86165    96.89364   161.83712
   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   _C9_    37     1.54866   105.76674   -59.99026
   38    37 S   HC   _H13    38     1.09345   111.82123   124.28516
   39    37 S   HC   _H14    39     1.09638   114.75011     4.60317
   40    33 S   CT   _C11    50     1.61184   119.06390  -175.62982
   41    37 S   CT   _C8_    40     1.54469   105.95357  -117.50997
   42    41 S   HC   _H4_    41     1.09642   109.44963  -156.98289
   43    40 S   CT   _C15    51     1.53405   105.30265  -101.72083
   44    43 S   HC   _H21    52     1.09238   113.17036  -147.79229
   45    43 S   HC   _H22    53     1.09500   112.06961    87.39819
   46    41 S   CT   _C12    62     1.53859   103.42327   -37.46010
   47    41 S   CT   _C7_    42     1.54019   111.65297    82.81073
   48    47 S   HC   _H11    43     1.09790   108.03532   165.07511
   49    47 S   HC   _H12    44     1.09845   109.58130    51.81361
   50    43 S   CO4  _C16    54     1.50361   103.26156   -27.37477
   51    50 S   O    _O33    55     1.22443   123.51980  -152.94077
   52    46 S   CT   _C13    63     1.55125   110.40707   -71.64708
   53    52 S   HC   _H15    64     1.08080   108.59927  -179.97202
   54    52 S   HC   _H16    65     1.08054   108.63004    60.01311
   55    52 S   HC   _H17    66     1.08092   108.59318   -60.01894
   56    46 S   CT   _C14    67     1.54211   112.69872   173.26623
   57    56 S   HC   _H18    68     1.08410   109.05870  -180.00000
   58    56 S   HC   _H19    69     1.08376   109.08271    60.00130
   59    56 S   HC   _H20    70     1.08449   109.03975   -60.06589
   60    47 S   CT   _C6_    45     1.54027   117.11102   -72.98037
   61    60 S   HC   _H9_    46     1.09751   107.37199   111.07855
   62    60 S   HC   _H10    47     1.09728   108.43390  -137.34366
   63    33 S   CT   _C17    56     1.56154   103.83553    65.94234
   64    63 S   HC   _H5_    57     1.10073   110.78228    20.80502
   65    60 S   CT   _C5_    48     1.55068   117.86811   -11.19209
   66    65 S   HC   _H3_    49     1.09716   106.46364   132.44828
   67    63 S   CT   _C18    58     1.51909   118.43678  -102.28894
   68    67 S   HC   _H23    59     1.09158   110.20549   -54.68540
   69    67 S   HC   _H24    60     1.09173   110.19663  -174.69526
   70    67 S   HC   _H25    61     1.09223   110.18886    65.29805
   71    65 S   CT   _C4_    71     1.53972   111.51534  -118.55825
   72    71 S   HC   _H6_    72     1.08420   109.19449    67.34533
   73    71 S   HC   _H7_    73     1.08455   109.16256   -52.64693
   74    71 S   HC   _H8_    74     1.08484   109.16188  -172.65607
  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
  25   2   1   1  18   7   6  29  19   7  14   6   5  17  10   5
   4   8   3   8   3   2   1   4   2   1   1   8   4   3   6   4
   5   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    63    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    65    40    43    50    63    64    67    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    60    65    66    40    43    44    45    50    51    63    64    67    68    69    70    46    52    56    71  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    60    65    40    43    50    63    64    67    46    52    56  
   39    41    42    47    40    63    46  
   41    42    47    40    63    46  
   43    44    45    50    51    63    64    67    46    52    53    54    55    56    57    58    59    71    72    73    74    41    42    47    60    61    62    65    66  
   42    47    48    49    60    61    62    65    43    63    46    52    53    54    55    56    57    58    59  
   47    48    49    60    46    52    56  
   44    45    50    51    63    64    67    46    52    56    71    60    65    66  
   45    50    51    63    46    65  
   50    51    63    46    65  
   52    53    54    55    56    57    58    59    71    47    48    49    50    60    63    65    66  
   48    49    60    61    62    65    66    52    56    71  
   49    60    61    62    65  
   60    61    62    65  
   51    63    64    67    68    69    70    65  
   63    64    67  
   53    54    55    56    57    58    59    65  
   54    55    56  
   55    56  
   56  
   57    58    59    65  
   58    59  
   59  
    0  
   61    62    65    66    71    72    73    74  
   62    65    66    71  
   65    66    71  
   64    67    68    69    70    65  
   67    68    69    70  
   66    71    72    73    74  
   71    72    73    74  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   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    40   268.000  1.529
   33    63   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   268.000  1.529
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    46   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    71   268.000  1.529
   40    43   268.000  1.529
   40    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.522
   50    51   570.000  1.229
   50    63   317.000  1.522
   63    64   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    52   268.000  1.529
   46    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    40    75.00000  111.63000
   29    33    63    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    58.35000  112.70000
   33    63    50    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    67    58.35000  112.70000
   37    41    42    37.50000  110.70000
   37    41    47    58.35000  112.70000
   37    41    46    58.35000  112.70000
   39    37    38    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    60    58.35000  112.70000
   41    46    40    58.35000  112.70000
   41    46    52    58.35000  112.70000
   41    46    56    58.35000  112.70000
   47    41    42    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    62    37.50000  110.70000
   47    60    65    58.35000  112.70000
   49    47    48    33.00000  107.80000
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    40    58.35000  112.70000
   60    65    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    40    43    58.35000  112.70000
   65    40    46    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    50    63.00000  111.10000
   40    46    52    58.35000  112.70000
   40    46    56    58.35000  112.70000
   43    50    51    80.00000  120.40000
   43    50    63    70.00000  116.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    63    64    35.00000  109.50000
   50    63    67    63.00000  111.10000
   63    33    37    58.35000  112.70000
   63    33    40    58.35000  112.70000
   63    50    51    80.00000  120.40000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   67    63    64    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    47    58.35000  112.70000
   46    40    43    58.35000  112.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   46    56    57    37.50000  110.70000
   46    56    58    37.50000  110.70000
   46    56    59    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    40    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    63    50   0.56750  1.0 1.0
   29    33    63    50  -0.07550 -1.0 2.0
   29    33    63    50   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    47   0.56750  1.0 1.0
   33    37    41    47  -0.07550 -1.0 2.0
   33    37    41    47   0.20000  1.0 3.0
   33    37   -41    46   0.56750  1.0 1.0
   33    37   -41    46  -0.07550 -1.0 2.0
   33    37   -41    46   0.20000  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40   -43    50  -0.95700  1.0 1.0
   33    40   -43    50  -0.18200 -1.0 2.0
   33    40   -43    50   0.29450  1.0 3.0
   33    40   -46    41   0.56750  1.0 1.0
   33    40   -46    41  -0.07550 -1.0 2.0
   33    40   -46    41   0.20000  1.0 3.0
   33    40    46    52   0.56750  1.0 1.0
   33    40    46    52  -0.07550 -1.0 2.0
   33    40    46    52   0.20000  1.0 3.0
   33    40    46    56   0.56750  1.0 1.0
   33    40    46    56  -0.07550 -1.0 2.0
   33    40    46    56   0.20000  1.0 3.0
   33    63    67    68   0.15000  1.0 3.0
   33    63    67    69   0.15000  1.0 3.0
   33    63    67    70   0.15000  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    33   -40    46   0.56750  1.0 1.0
   37    33   -40    46  -0.07550 -1.0 2.0
   37    33   -40    46   0.20000  1.0 3.0
   37    33    63    50  -0.95700  1.0 1.0
   37    33    63    50  -0.18200 -1.0 2.0
   37    33    63    50   0.29450  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    67   0.56750  1.0 1.0
   37    33    63    67  -0.07550 -1.0 2.0
   37    33    63    67   0.20000  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    49   0.15000  1.0 3.0
   37    41    47    60   0.56750  1.0 1.0
   37    41    47    60  -0.07550 -1.0 2.0
   37    41    47    60   0.20000  1.0 3.0
   37    41   -46    40   0.56750  1.0 1.0
   37    41   -46    40  -0.07550 -1.0 2.0
   37    41   -46    40   0.20000  1.0 3.0
   37    41    46    52   0.56750  1.0 1.0
   37    41    46    52  -0.07550 -1.0 2.0
   37    41    46    52   0.20000  1.0 3.0
   37    41    46    56   0.56750  1.0 1.0
   37    41    46    56  -0.07550 -1.0 2.0
   37    41    46    56   0.20000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    47   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    47   0.15000  1.0 3.0
   39    37    41    46   0.15000  1.0 3.0
   41    47    60    61   0.15000  1.0 3.0
   41    47    60    62   0.15000  1.0 3.0
   41    47    60    65   0.56750  1.0 1.0
   41    47    60    65  -0.07550 -1.0 2.0
   41    47    60    65   0.20000  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    55   0.15000  1.0 3.0
   41    46    56    57   0.15000  1.0 3.0
   41    46    56    58   0.15000  1.0 3.0
   41    46    56    59   0.15000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    60   0.15000  1.0 3.0
   42    41    46    40   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   42    41    46    56   0.15000  1.0 3.0
   47    41    46    40   0.56750  1.0 1.0
   47    41    46    40  -0.07550 -1.0 2.0
   47    41    46    40   0.20000  1.0 3.0
   47    41    46    52   0.56750  1.0 1.0
   47    41    46    52  -0.07550 -1.0 2.0
   47    41    46    52   0.20000  1.0 3.0
   47    41    46    56   0.56750  1.0 1.0
   47    41    46    56  -0.07550 -1.0 2.0
   47    41    46    56   0.20000  1.0 3.0
   47    60    65    66   0.15000  1.0 3.0
   47    60   -65    40   0.56750  1.0 1.0
   47    60   -65    40  -0.07550 -1.0 2.0
   47    60   -65    40   0.20000  1.0 3.0
   47    60    65    71   0.56750  1.0 1.0
   47    60    65    71  -0.07550 -1.0 2.0
   47    60    65    71   0.20000  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    62   0.15000  1.0 3.0
   48    47    60    65   0.15000  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    62   0.15000  1.0 3.0
   49    47    60    65   0.15000  1.0 3.0
   60    65    40    33   0.56750  1.0 1.0
   60    65    40    33  -0.07550 -1.0 2.0
   60    65    40    33   0.20000  1.0 3.0
   60    65    40    43   0.56750  1.0 1.0
   60    65    40    43  -0.07550 -1.0 2.0
   60    65    40    43   0.20000  1.0 3.0
   60    65    40    46   0.56750  1.0 1.0
   60    65    40    46  -0.07550 -1.0 2.0
   60    65    40    46   0.20000  1.0 3.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    74   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    40   0.15000  1.0 3.0
   62    60    65    71   0.15000  1.0 3.0
   65    40    43    44   0.15000  1.0 3.0
   65    40    43    45   0.15000  1.0 3.0
   65    40    43    50  -0.95700  1.0 1.0
   65    40    43    50  -0.18200 -1.0 2.0
   65    40    43    50   0.29450  1.0 3.0
   65    40   -46    41   0.56750  1.0 1.0
   65    40   -46    41  -0.07550 -1.0 2.0
   65    40   -46    41   0.20000  1.0 3.0
   65    40    46    52   0.56750  1.0 1.0
   65    40    46    52  -0.07550 -1.0 2.0
   65    40    46    52   0.20000  1.0 3.0
   65    40    46    56   0.56750  1.0 1.0
   65    40    46    56  -0.07550 -1.0 2.0
   65    40    46    56   0.20000  1.0 3.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    43   0.15000  1.0 3.0
   66    65    40    46   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    41   0.56750  1.0 1.0
   40    33   -37    41  -0.07550 -1.0 2.0
   40    33   -37    41   0.20000  1.0 3.0
   40    33   -63    50  -0.95700  1.0 1.0
   40    33   -63    50  -0.18200 -1.0 2.0
   40    33   -63    50   0.29450  1.0 3.0
   40    33    63    64   0.15000  1.0 3.0
   40    33    63    67   0.56750  1.0 1.0
   40    33    63    67  -0.07550 -1.0 2.0
   40    33    63    67   0.20000  1.0 3.0
   40    65    71    72   0.15000  1.0 3.0
   40    65    71    73   0.15000  1.0 3.0
   40    65    71    74   0.15000  1.0 3.0
   40    43    50    51   0.30150 -1.0 2.0
   40    43   -50    63   0.60050  1.0 1.0
   40    43   -50    63   0.05600 -1.0 2.0
   40    43   -50    63   0.26150  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   40    46    56    57   0.15000  1.0 3.0
   40    46    56    58   0.15000  1.0 3.0
   40    46    56    59   0.15000  1.0 3.0
   43    40    46    41   0.56750  1.0 1.0
   43    40    46    41  -0.07550 -1.0 2.0
   43    40    46    41   0.20000  1.0 3.0
   43    40    46    52   0.56750  1.0 1.0
   43    40    46    52  -0.07550 -1.0 2.0
   43    40    46    52   0.20000  1.0 3.0
   43    40    46    56   0.56750  1.0 1.0
   43    40    46    56  -0.07550 -1.0 2.0
   43    40    46    56   0.20000  1.0 3.0
   43    50   -63    33   0.60050  1.0 1.0
   43    50   -63    33   0.05600 -1.0 2.0
   43    50   -63    33   0.26150  1.0 3.0
   43    50    63    64   0.00000  1.0 1.0
   43    50    63    67   0.60050  1.0 1.0
   43    50    63    67   0.05600 -1.0 2.0
   43    50    63    67   0.26150  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    63   0.00000  1.0 1.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    63   0.00000  1.0 1.0
   50    63    67    68  -0.11250  1.0 3.0
   50    63    67    69  -0.11250  1.0 3.0
   50    63    67    70  -0.11250  1.0 3.0
   51    50    63    33   0.30150 -1.0 2.0
   51    50    63    64   0.00000  1.0 1.0
   51    50    63    67   0.30150 -1.0 2.0
   63    33    37    38   0.15000  1.0 3.0
   63    33    37    39   0.15000  1.0 3.0
   63    33    37    41   0.56750  1.0 1.0
   63    33    37    41  -0.07550 -1.0 2.0
   63    33    37    41   0.20000  1.0 3.0
   63    33    40    65   0.56750  1.0 1.0
   63    33    40    65  -0.07550 -1.0 2.0
   63    33    40    65   0.20000  1.0 3.0
   63    33   -40    43   0.56750  1.0 1.0
   63    33   -40    43  -0.07550 -1.0 2.0
   63    33   -40    43   0.20000  1.0 3.0
   63    33    40    46   0.56750  1.0 1.0
   63    33    40    46  -0.07550 -1.0 2.0
   63    33    40    46   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   46    41    47    48   0.15000  1.0 3.0
   46    41    47    49   0.15000  1.0 3.0
   46    41   -47    60   0.56750  1.0 1.0
   46    41   -47    60  -0.07550 -1.0 2.0
   46    41   -47    60   0.20000  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40    43    50  -0.95700  1.0 1.0
   46    40    43    50  -0.18200 -1.0 2.0
   46    40    43    50   0.29450  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   52    46    56    59   0.15000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    54   0.15000  1.0 3.0
   56    46    52    55   0.15000  1.0 3.0
   71    65    40    33   0.56750  1.0 1.0
   71    65    40    33  -0.07550 -1.0 2.0
   71    65    40    33   0.20000  1.0 3.0
   71    65    40    43   0.56750  1.0 1.0
   71    65    40    43  -0.07550 -1.0 2.0
   71    65    40    43   0.20000  1.0 3.0
   71    65    40    46   0.56750  1.0 1.0
   71    65    40    46  -0.07550 -1.0 2.0
   71    65    40    46   0.20000  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
   43    63    50    51  10.50000 -1.0 2.0
END
