* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    119    184     349
    1     0 S   NP   _N1_     1    29.27269    93.61410   -19.03769
    2     1 S   H    _HN1     2     1.02980   108.00751    41.43715
    3     1 S   H    _H1_     3     1.02831    30.63714   134.69988
    4     1 S   H    _H2_     4     1.02775    78.94364   -64.38358
    5     1 S   CT   _CA1     5     1.50135   133.28382  -174.61053
    6     5 S   HC   _HA1     6     1.09581   105.25283    34.32262
    7     5 S   CO3  _C1_     7     1.53782   112.27896   -85.73904
    8     7 S   O2Z  _O11     8     1.26325   115.09537   -45.73729
    9     7 S   O2Z  _O12     9     1.26238   114.85816   133.33234
   10     5 S   CT   _CB1    10     1.53041   107.32639   152.00704
   11    10 S   HC   HB11    11     1.09814   109.20225   -52.41559
   12    10 S   HC   HB12    12     1.09809   110.37289    63.91453
   13    10 S   CT   _CG1    13     1.53031   112.86285  -173.75908
   14    13 S   HC   HG11    14     1.09502   110.09270   -60.75969
   15    13 S   HC   HG12    15     1.09595   110.41286    58.33964
   16    13 S   C    _CD1    16     1.51800   111.68641   178.18006
   17    16 S   O    _OE1    17     1.22782   122.85796   -23.68071
   18    16 S   N    _N2_    18     1.38538   112.13318   157.35624
   19    18 S   H    _HN2    19     1.01489   119.10174     1.49698
   20    18 S   CT1  _CA2    20     1.46191   123.42404  -176.61100
   21    20 S   HC   _HA2    21     1.09735   109.15451   -20.29092
   22    20 S   C    _C2_    22     1.53368   108.27044  -136.09238
   23    22 S   O    _O2_    23     1.23006   122.28440  -146.03708
   24    20 S   CT   _CB2    32     1.53618   111.63445   101.79232
   25    24 S   HC   HB21    33     1.09350   110.00296    58.81007
   26    24 S   HC   HB22    34     1.09544   110.22515   176.41799
   27    22 S   N    _N3_    24     1.38521   113.30020    41.27389
   28    27 S   H    _HN3    25     1.01541   118.89693    -0.39167
   29    24 S   S    _SG2    35     1.82854   111.69787   -65.11073
   30    27 S   CT   _CA3    26     1.45439   123.39883   175.20004
   31    30 S   HC   HA31    27     1.09528   109.15837    25.67353
   32    30 S   HC   HA32    28     1.09493   107.13442   142.66950
   33    29 S   CT   _C9_    36     1.87985   101.62668   130.26174
   34    30 S   CO3  _C3_    29     1.52932   113.19253   -97.74773
   35    34 S   O2Z  _O31    30     1.26396   115.45044   -43.32059
   36    34 S   O2Z  _O32    31     1.26362   114.95175   137.62797
   37    33 S   CM   _C8_    37     1.49983   107.78592   -69.45193
   38    33 S   CT   _C10    50     1.53558   110.60132    67.69661
   39    38 S   HC   _H12    51     1.09614   112.27722   -59.36754
   40    38 S   HC   _H13    52     1.09909   109.40448  -176.14583
   41    37 S   OS   _O34    38     1.40600   110.93923   -77.87265
   42    37 S   CM   _C7_    53     1.34230   126.79733   108.53455
   43    42 S   HC   _H11    54     1.08778   118.68113    -2.83172
   44    41 S   CO4  _C15    39     1.38351   105.15705   -17.89997
   45    44 S   O    _O33    40     1.22050   124.72601   172.98544
   46    42 S   CT   _C6_    55     1.50260   125.48360   175.19486
   47    46 S   HC   _H9_    56     1.09674   108.06563  -112.37427
   48    46 S   HC   _H10    57     1.09573   111.35878     4.73822
   49    33 S   CT   _C14    41     1.52923   112.33312  -173.39880
   50    49 S   HC   _H3_    42     1.10417   111.08906  -179.10979
   51    46 S   CT   _C5_    58     1.52933   111.44376   127.35232
   52    51 S   HC   _H7_    59     1.09684   110.17059    55.99423
   53    51 S   HC   _H8_    60     1.09521   110.13217   -61.82904
   54    49 S   CM   _C13    43     1.49003   113.13853   -60.98463
   55    54 S   HC   _H17    44     1.08472   120.06976   150.24864
   56    51 S   CT   _C4_    61     1.52058   111.50112   177.05689
   57    56 S   HC   _H4_    62     1.09398   111.06572    60.08533
   58    56 S   HC   _H5_    63     1.09466   110.98884   -60.45486
   59    56 S   HC   _H6_    64     1.09449   110.24549   179.83331
   60    54 S   CM   _C12    45     1.34446   119.18017   -33.19445
   61    60 S   HC   _H16    46     1.08633   119.35141  -178.32567
   62    60 S   CT   _C11    47     1.51445   123.30716     2.59865
   63    62 S   HC   _H14    48     1.09700   107.78184   120.20562
   64    62 S   HC   _H15    49     1.09615   109.18265  -124.55168
  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  12   5   4   3
  18   2   1   1  16  13   6   5   8  10   4   6   3   9   5   4
   6   3   6   5   4   6   3   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    44    49    50    54    62    38    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    45    49    50    54    55    60    62    63    64    38    39    40    42    43    46  
   35    36  
   36  
    0  
   41    44    45    49    50    54    62    38    39    40    42    43    46    47    48    51  
   39    40    42    41    44    49    50    54    60    61    62    63    64  
   40    49    60    62    63    64  
   49    60    62    63    64  
   44    45    49    50    54    42    43    46  
   43    46    47    48    51    52    53    56    44    49  
   46    47    48    51  
   45    49    50    54    55    60  
   49    50    54  
   47    48    51    52    53    56    57    58    59  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    60    61    62  
   54    55    60  
   52    53    56    57    58    59  
   53    56    57    58    59  
   56    57    58    59  
   55    60    61    62    63    64  
   60    61    62  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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   317.000  1.510
   33    49   268.000  1.529
   33    38   268.000  1.529
   37    41   440.000  1.360
   37    42   549.000  1.340
   41    44   214.000  1.327
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    54   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    38   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  112.20000
   29    33    49    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    85.00000  112.85300
   33    37    42    70.00000  124.00000
   33    49    44    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    54    70.00000  112.02700
   33    38    62    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    44    90.00000  114.22900
   37    42    43    35.00000  120.00000
   37    42    46    70.00000  124.00000
   41    44    45    83.00000  123.40000
   41    44    49    81.00000  111.40000
   44    49    50    35.00000  109.50000
   44    49    54    70.00000  109.06800
   49    33    37    70.00000  112.02700
   49    44    45    80.00000  120.40000
   49    54    55    35.00000  117.00000
   49    54    60    70.00000  124.00000
   54    49    50    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    70.00000  124.00000
   60    54    55    35.00000  120.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    38    70.00000  112.02700
   62    60    61    35.00000  117.00000
   62    38    39    37.50000  110.70000
   62    38    40    37.50000  110.70000
   64    62    63    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    49    58.35000  112.70000
   38    62    63    37.50000  110.70000
   38    62    64    37.50000  110.70000
   40    38    39    33.00000  107.80000
   42    37    41    80.00000  120.01400
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    51    70.00000  112.02700
   46    42    43    35.00000  117.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   29    33    38    62   0.44750  1.0 1.0
   29    33    38    62  -0.17800 -1.0 2.0
   29    33    38    62   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37   -41    44   2.00000 -1.0 2.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    49    54    55   0.00000  1.0 1.0
   33    49    54    60   0.09850  1.0 1.0
   33    49    54    60   0.15250 -1.0 2.0
   33    49    54    60  -0.50650  1.0 3.0
   37    33   -49    44  -0.98800  1.0 1.0
   37    33   -49    44   0.48800 -1.0 2.0
   37    33   -49    44   0.76800  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    54   0.31000  1.0 1.0
   37    33    49    54   0.14700 -1.0 2.0
   37    33    49    54   0.07550  1.0 3.0
   37    33    38    62   0.34400  1.0 1.0
   37    33    38    62   0.09450 -1.0 2.0
   37    33    38    62   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    44    45   3.00000 -1.0 2.0
   37    41   -44    49   0.82650  1.0 1.0
   37    41   -44    49   1.69000 -1.0 2.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.00000  1.0 1.0
   37    42    46    51   0.09850  1.0 1.0
   37    42    46    51   0.15250 -1.0 2.0
   37    42    46    51  -0.50650  1.0 3.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    46   7.00000 -1.0 2.0
   41    44   -49    33   0.36750  1.0 3.0
   41    44    49    50   0.00000  1.0 1.0
   41    44    49    54   0.40000  1.0 3.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    60  -0.51250  1.0 1.0
   44    49    54    60  -0.88800 -1.0 2.0
   44    49    54    60   0.08850  1.0 3.0
   45    44    49    33   0.30150 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54   0.30150 -1.0 2.0
   49    33   -37    41   0.09700  1.0 1.0
   49    33   -37    41   0.15600 -1.0 2.0
   49    33   -37    41  -0.50800  1.0 3.0
   49    33    37    42   0.09850  1.0 1.0
   49    33    37    42   0.15250 -1.0 2.0
   49    33    37    42  -0.50650  1.0 3.0
   49    33    38    62   0.56750  1.0 1.0
   49    33    38    62  -0.07550 -1.0 2.0
   49    33    38    62   0.20000  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    54    60    61   7.00000 -1.0 2.0
   49    54   -60    62   7.00000 -1.0 2.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    60   0.00000  1.0 1.0
   54    60    62    63   0.00000  1.0 1.0
   54    60    62    64   0.00000  1.0 1.0
   54    60    62    38   0.09850  1.0 1.0
   54    60    62    38   0.15250 -1.0 2.0
   54    60    62    38  -0.50650  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62   -38    33   0.34400  1.0 1.0
   60    62   -38    33   0.09450 -1.0 2.0
   60    62   -38    33   0.11100  1.0 3.0
   60    62    38    39   0.15000  1.0 3.0
   60    62    38    40   0.15000  1.0 3.0
   61    60    62    63   0.33100  1.0 3.0
   61    60    62    64   0.33100  1.0 3.0
   61    60    62    38   0.00000  1.0 1.0
   63    62    38    33   0.15000  1.0 3.0
   63    62    38    39   0.15000  1.0 3.0
   63    62    38    40   0.15000  1.0 3.0
   64    62    38    33   0.15000  1.0 3.0
   64    62    38    39   0.15000  1.0 3.0
   64    62    38    40   0.15000  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    49    44  -0.95700  1.0 1.0
   38    33    49    44  -0.18200 -1.0 2.0
   38    33    49    44   0.29450  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33   -49    54   0.34400  1.0 1.0
   38    33   -49    54   0.09450 -1.0 2.0
   38    33   -49    54   0.11100  1.0 3.0
   42    37    41    44  -1.93650  1.0 1.0
   42    37    41    44   2.17750 -1.0 2.0
   42    37    41    44  -0.40250  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    56   0.34400  1.0 1.0
   42    46    51    56   0.09450 -1.0 2.0
   42    46    51    56   0.11100  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    51   0.00000  1.0 1.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    59   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   41    49    44    45  10.50000 -1.0 2.0
   49    55    54    60   1.10000 -1.0 2.0
   62    61    60    54   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
END
