* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    126    200     371
    1     0 S   NP   _N1_     1    28.25068    95.33423   -25.05911
    2     1 S   H    _HN1     2     1.02776   111.96082  -117.94050
    3     1 S   H    _H1_     3     1.02957    88.00451    -8.94545
    4     1 S   H    _H2_     4     1.02835    19.37874   160.56457
    5     1 S   CT   _CA1     5     1.50147   122.61410   104.09953
    6     5 S   HC   _HA1     6     1.09575   105.18668    76.38323
    7     5 S   CO3  _C1_     7     1.53766   112.34531   -43.75815
    8     7 S   O2Z  _O11     8     1.26369   114.98508   -43.74187
    9     7 S   O2Z  _O12     9     1.26230   114.92349   135.22489
   10     5 S   CT   _CB1    10     1.53082   107.40609  -165.73559
   11    10 S   HC   HB11    11     1.09831   109.27198   -50.33139
   12    10 S   HC   HB12    12     1.09814   110.45120    66.20166
   13    10 S   CT   _CG1    13     1.53040   112.72097  -171.38548
   14    13 S   HC   HG11    14     1.09589   110.54201   -65.75106
   15    13 S   HC   HG12    15     1.09661   109.87547    53.47313
   16    13 S   C    _CD1    16     1.51856   112.22036   173.80859
   17    16 S   O    _OE1    17     1.22768   123.25239     3.27118
   18    16 S   N    _N2_    18     1.38565   111.80967  -176.68613
   19    18 S   H    _HN2    19     1.01563   119.12022     3.49514
   20    18 S   CT1  _CA2    20     1.45865   122.75639   177.40399
   21    20 S   HC   _HA2    21     1.09715   108.88069    26.71625
   22    20 S   C    _C2_    22     1.52917   106.61846   -90.55128
   23    22 S   O    _O2_    23     1.23015   122.90062   -30.76757
   24    20 S   CT   _CB2    32     1.53247   112.44231   150.04339
   25    24 S   HC   HB21    33     1.09491   109.74407    55.64273
   26    24 S   HC   HB22    34     1.09466   109.74766   174.42838
   27    22 S   N    _N3_    24     1.38465   112.77643   151.91307
   28    27 S   H    _HN3    25     1.01667   120.43461    -1.36759
   29    24 S   S    _SG2    35     1.82616   111.03245   -64.93291
   30    27 S   CT   _CA3    26     1.45371   122.29901   178.81106
   31    30 S   HC   HA31    27     1.09568   107.55036   -61.76532
   32    30 S   HC   HA32    28     1.09575   107.83320    54.51696
   33    29 S   CT   _C5_    36     1.87528   100.92116  -174.39646
   34    30 S   CO3  _C3_    29     1.52853   114.47857   176.51687
   35    34 S   O2Z  _O31    30     1.26306   116.08302     0.49416
   36    34 S   O2Z  _O32    31     1.26456   114.38315  -179.47885
   37    33 S   CA   _C6_    37     1.56409   110.19729   177.77200
   38    33 S   CT   _C4_    66     1.54221   110.18352   -59.07852
   39    38 S   HC   _H4_    67     1.09669   111.53862    73.21088
   40    38 S   HC   _H5_    68     1.09291   114.23323   -48.90212
   41    38 S   HC   _H6_    69     1.09766   110.20192  -170.23298
   42    37 S   CA   _C7_    38     1.41381   117.22688  -114.66034
   43    37 S   CA   _C15    50     1.44755   122.61085    65.18538
   44    43 S   OM   _O33    51     1.28234   122.00782    -0.91685
   45    42 S   CA   _C8_    39     1.39462   120.59899  -178.57811
   46    45 S   HA   _H7_    40     1.08976   118.66788   178.74197
   47    42 S   CT   _C16    54     1.50686   121.81547    -1.34770
   48    47 S   HC   _H12    55     1.09581   110.13542   147.70990
   49    47 S   HC   _H13    56     1.09762   107.39705   -94.73812
   50    45 S   CA   _C9_    41     1.39013   121.49862    -1.33266
   51    47 S   CT   _C17    57     1.51894   110.50666    25.90387
   52    51 S   HC   _H3_    58     1.09676   111.26012    63.01786
   53    50 S   CA   _C10    42     1.40760   118.24360  -179.59074
   54    53 S   HA   _H8_    43     1.08896   120.44886    -0.05595
   55    33 S   OS   _O35    59     1.44744   109.18020    52.62191
   56    51 S   CT   _C18    60     1.52755   111.92372  -173.98419
   57    56 S   HC   _H14    61     1.09819   108.93070   171.09603
   58    56 S   HC   _H15    62     1.09820   109.60951    56.23591
   59    53 S   CA   _C11    44     1.38973   121.41542   179.86878
   60    59 S   HA   _H9_    45     1.08547   120.31457  -179.97202
   61    56 S   CO3  _C19    63     1.52956   115.95284   -68.13442
   62    61 S   O2Z  _O37    64     1.26167   116.28976   -25.40058
   63    61 S   O2Z  _O36    65     1.26448   114.36451   155.01105
   64    59 S   CA   _C12    46     1.38270   119.27535    -0.00000
   65    64 S   HA   _H10    47     1.08632   119.95763  -179.95154
   66    64 S   CA   _C13    48     1.39858   119.63019     0.04846
   67    50 S   CA   _C14    49     1.41914   120.21528     0.38461
   68    66 S   OH   _O34    52     1.37701   114.18914  -180.00000
   69    68 S   HO   _H11    53     0.97559   107.13645   179.53103
  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  10   5   4   3
  15   2   1   1  17   7   3   2   1  14  10   3  11   4  10   5
   4   8   8   5   7   4   4   5   4   3   6   3   2   1   1   5
   3   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    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    43    51    55    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    67    43    44    47    51    52    55    56    38    39    40    41  
   35    36  
   36  
    0  
   42    45    46    50    66    67    43    44    47    48    49    51    55    38    39    40    41  
   39    40    41    42    43    51    55  
   40    41    55  
   41    55  
   55  
   45    46    50    53    67    43    44    47    48    49    51    52    55    56  
   44    68    47    55    45    50    53    64    66    67  
   50    66    67  
   46    50    53    54    59    66    67    47    48    49    51  
   50    53    67    47  
   48    49    51    52    55    56    57    58    61    50  
   49    51    52    55    56  
   51    52    55    56  
   53    54    59    60    64    66    67    68  
   52    55    56    57    58    61    62    63  
   55    56    57    58    61  
   54    59    60    64    65    66    67  
   59    60    64    67  
   56    57    58    61  
   57    58    61    62    63  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    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  -0.316400   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   0.390700   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   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   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    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   317.000  1.510
   33    55   320.000  1.410
   33    38   268.000  1.529
   37    42   469.000  1.400
   37    43   469.000  1.400
   42    45   469.000  1.400
   42    47   317.000  1.510
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    53   469.000  1.400
   50    67   469.000  1.400
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    68   450.000  1.364
   67    43   469.000  1.400
   43    44   450.000  1.364
   68    69   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    55   320.000  1.410
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    80.00000  109.48900
   29    33    55    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  120.00000
   33    37    43    70.00000  120.00000
   33    55    51    60.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    45    63.00000  120.00000
   37    42    47    70.00000  120.00000
   37    43    67    63.00000  120.00000
   37    43    44    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    51    70.00000  112.17500
   45    50    53    63.00000  120.00000
   45    50    67    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    67    66    63.00000  120.00000
   50    67    43    63.00000  120.00000
   53    59    60    35.00000  120.00000
   53    59    64    63.00000  120.00000
   59    53    54    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    66    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    68    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    43    63.00000  120.00000
   66    68    69    35.00000  113.00000
   67    50    53    63.00000  120.00000
   67    43    44    70.00000  120.00000
   43    37    42    63.00000  120.00000
   68    66    67    70.00000  120.00000
   47    42    45    70.00000  120.00000
   47    51    52    37.50000  110.70000
   47    51    55    50.00000  109.50000
   47    51    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    70.00000  109.69300
   55    33    37    85.00000  111.85700
   55    51    52    35.00000  109.50000
   56    51    52    37.50000  110.70000
   56    51    55    50.00000  109.50000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   38    33    37    70.00000  112.17500
   38    33    55    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    55   0.13850  1.0 1.0
   24    29    33    55  -1.34450 -1.0 2.0
   24    29    33    55   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    55    51   0.14700  1.0 1.0
   29    33    55    51  -1.16150 -1.0 2.0
   29    33    55    51   0.48700  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    45   3.62500 -1.0 2.0
   33    37    42    47   3.62500 -1.0 2.0
   33    37    43    67   3.62500 -1.0 2.0
   33    37    43    44   3.62500 -1.0 2.0
   37    33    55    51   0.37500  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    41   0.43200  1.0 3.0
   37    42    45    46   3.62500 -1.0 2.0
   37    42    45    50   3.62500 -1.0 2.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    51   0.04150 -1.0 2.0
   42    37    43    67   3.62500 -1.0 2.0
   42    37    43    44   3.62500 -1.0 2.0
   42    45    50    53   3.62500 -1.0 2.0
   42    45   -50    67   3.62500 -1.0 2.0
   42    47    51    52   0.43200  1.0 3.0
   42    47    51    55  -0.64350  1.0 1.0
   42    47    51    55  -0.04200 -1.0 2.0
   42    47    51    55   0.19800  1.0 3.0
   42    47    51    56  -0.03700  1.0 1.0
   42    47    51    56   0.37200 -1.0 2.0
   42    47    51    56  -0.47300  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    51   0.04150 -1.0 2.0
   45    50    53    54   3.62500 -1.0 2.0
   45    50    53    59   3.62500 -1.0 2.0
   45    50    67    66   3.62500 -1.0 2.0
   45    50    67    43   3.62500 -1.0 2.0
   46    45    50    53   3.62500 -1.0 2.0
   46    45    50    67   3.62500 -1.0 2.0
   50    53    59    60   3.62500 -1.0 2.0
   50    53    59    64   3.62500 -1.0 2.0
   50    67   -43    37   3.62500 -1.0 2.0
   50    67    43    44   3.62500 -1.0 2.0
   53    50    67    66   3.62500 -1.0 2.0
   53    50    67    43   3.62500 -1.0 2.0
   53    59    64    65   3.62500 -1.0 2.0
   53    59   -64    66   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    64   3.62500 -1.0 2.0
   59    64    66    67   3.62500 -1.0 2.0
   59    64    66    68   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    66   3.62500 -1.0 2.0
   64    66   -67    50   3.62500 -1.0 2.0
   64    66    67    43   3.62500 -1.0 2.0
   64    66    68    69   0.84100 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    67    43    37   3.62500 -1.0 2.0
   66    67    43    44   3.62500 -1.0 2.0
   67    50    53    54   3.62500 -1.0 2.0
   67    50   -53    59   3.62500 -1.0 2.0
   67    66    68    69   0.84100 -1.0 2.0
   43    37   -42    45   3.62500 -1.0 2.0
   43    37    42    47   3.62500 -1.0 2.0
   68    66    67    50   3.62500 -1.0 2.0
   68    66    67    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    50   3.62500 -1.0 2.0
   47    51   -55    33   0.06250  1.0 1.0
   47    51   -55    33  -0.01100 -1.0 2.0
   47    51   -55    33   0.28050  1.0 3.0
   47    51    56    57   0.15000  1.0 3.0
   47    51    56    58   0.15000  1.0 3.0
   47    51    56    61  -1.63150  1.0 1.0
   47    51    56    61  -0.43550 -1.0 2.0
   47    51    56    61   0.24500  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    55   0.23400  1.0 3.0
   49    47    51    56   0.15000  1.0 3.0
   51    56    61    62   0.41150 -1.0 2.0
   51    56    61    63   0.41150 -1.0 2.0
   52    51    55    33   0.37050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61  -0.11250  1.0 3.0
   55    33   -37    42   0.64500  1.0 1.0
   55    33   -37    42   0.14800 -1.0 2.0
   55    33   -37    42   0.20650  1.0 3.0
   55    33    37    43   0.64500  1.0 1.0
   55    33    37    43   0.14800 -1.0 2.0
   55    33    37    43   0.20650  1.0 3.0
   55    33    38    39   0.23400  1.0 3.0
   55    33    38    40   0.23400  1.0 3.0
   55    33    38    41   0.23400  1.0 3.0
   55    51    56    57   0.23400  1.0 3.0
   55    51    56    58   0.23400  1.0 3.0
   55    51    56    61  -3.35100  1.0 1.0
   55    51    56    61  -0.37050 -1.0 2.0
   55    51    56    61   0.22400  1.0 3.0
   56    51    55    33   0.06250  1.0 1.0
   56    51    55    33  -0.01100 -1.0 2.0
   56    51    55    33   0.28050  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    63   0.00000  1.0 1.0
   38    33    37    42   0.04150 -1.0 2.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33    55    51   0.06250  1.0 1.0
   38    33    55    51  -0.01100 -1.0 2.0
   38    33    55    51   0.28050  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
   42    43    37    33   4.00000 -1.0 2.0
   45    47    42    37   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   53    67    50    45   4.00000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   64    60    59    53   1.10000 -1.0 2.0
   66    65    64    59   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   66    43    67    50   4.00000 -1.0 2.0
   67    44    43    37   4.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
END
