* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    126    188     365
    1     0 S   NP   _N1_     1    28.77249    94.20573   -21.18275
    2     1 S   H    _HN1     2     1.02753    93.98175   -60.58882
    3     1 S   H    _H1_     3     1.02970    89.35029    47.83230
    4     1 S   H    _H2_     4     1.02812    28.22121   177.49759
    5     1 S   CT   _CA1     5     1.50248   138.69318   168.42066
    6     5 S   HC   _HA1     6     1.09595   105.04710    63.70984
    7     5 S   CO3  _C1_     7     1.53879   112.55202   -55.72740
    8     7 S   O2Z  _O11     8     1.26347   115.03965   -34.49614
    9     7 S   O2Z  _O12     9     1.26284   114.96675   144.05913
   10     5 S   CT   _CB1    10     1.53089   107.20170  -178.79732
   11    10 S   HC   HB11    11     1.09801   109.00414   -51.82762
   12    10 S   HC   HB12    12     1.09790   110.37814    64.50863
   13    10 S   CT   _CG1    13     1.52889   112.86996  -173.23137
   14    13 S   HC   HG11    14     1.09475   110.04149   -66.84539
   15    13 S   HC   HG12    15     1.09657   110.21233    52.01928
   16    13 S   C    _CD1    16     1.51873   112.58009   171.75631
   17    16 S   O    _OE1    17     1.22746   123.22911   -18.08338
   18    16 S   N    _N2_    18     1.38579   111.61928   164.21075
   19    18 S   H    _HN2    19     1.01578   118.84621    -1.52393
   20    18 S   CT1  _CA2    20     1.46181   123.70081   177.59344
   21    20 S   HC   _HA2    21     1.09738   109.31209   -11.44680
   22    20 S   C    _C2_    22     1.53466   108.65979  -126.63454
   23    22 S   O    _O2_    23     1.23053   122.34188  -152.82687
   24    20 S   CT   _CB2    32     1.53146   111.07648   110.93009
   25    24 S   HC   HB21    33     1.09593   110.28722    47.47084
   26    24 S   HC   HB22    34     1.09452   111.48787   166.67487
   27    22 S   N    _N3_    24     1.38353   113.71793    34.77755
   28    27 S   H    _HN3    25     1.01653   119.39780    -3.43718
   29    24 S   S    _SG2    35     1.82012   111.79824   -73.77106
   30    27 S   CT   _CA3    26     1.45294   123.16673   176.85098
   31    30 S   HC   HA31    27     1.09551   107.55512   -63.12248
   32    30 S   HC   HA32    28     1.09543   107.95391    53.27011
   33    29 S   P2   _P2_    36     2.11939   104.98502   150.04004
   34    33 S   O2Z  _O41    37     1.51187   106.52915   172.23646
   35    33 S   O2Z  _O40    38     1.51380   106.01151    42.69037
   36    30 S   CO3  _C3_    29     1.52916   114.16269   175.29710
   37    36 S   O2Z  _O31    30     1.26353   116.06555     1.08336
   38    36 S   O2Z  _O32    31     1.26433   114.41552  -178.90711
   39    33 S   OS   _O39    39     1.62741   105.88779   -71.58758
   40    39 S   P2   _P1_    40     1.62788   131.28255   -70.45904
   41    40 S   O2Z  _O38    41     1.51190   108.82566   -74.97861
   42    40 S   O2Z  _O37    42     1.51200   109.53088    59.49631
   43    40 S   OS   _O36    43     1.63379    98.40153   172.90867
   44    43 S   CT   _C12    44     1.41931   119.00041   -69.84683
   45    44 S   HC   _H10    45     1.09497   108.55015   -94.68298
   46    44 S   HC   _H11    46     1.09568   111.35442    22.41430
   47    44 S   CT   _C11    47     1.51814   109.15619   145.32397
   48    47 S   HC   _H6_    48     1.09827   109.25457    62.63554
   49    47 S   CT   _C10    49     1.52630   115.78784   -60.47509
   50    49 S   HC   _H5_    50     1.09427   113.45553    79.70180
   51    49 S   CT   _C9_    51     1.51820   100.56677  -159.94754
   52    51 S   HC   _H4_    52     1.09776   108.37262   -79.99218
   53    49 S   OH   _O42    69     1.42183   112.12487   -43.10441
   54    53 S   HO   _H12    70     0.97461   107.79981    75.20328
   55    51 S   CO   _C8_    53     1.53606   103.63494    34.72647
   56    55 S   HC   _H3_    54     1.09671   108.68013  -135.08625
   57    51 S   OH   _O43    67     1.41318   114.16170   160.01083
   58    57 S   HO   _H13    68     0.97232   107.64853    40.95950
   59    55 S   N*   _N4_    55     1.46945   115.21046   104.06844
   60    47 S   OS   _O35    66     1.44070   109.78523   179.76677
   61    59 S   CM   _C5_    56     1.38202   120.81489   -89.34494
   62    61 S   HC   _H8_    57     1.08378   117.24608    -1.80754
   63    61 S   CM   _C4_    58     1.33456   123.14316   178.03397
   64    63 S   HC   _H7_    59     1.08176   122.22492  -179.72660
   65    63 S   C    _C7_    60     1.47360   119.39427     0.02798
   66    65 S   O    _O34    61     1.22670   121.07061   179.89721
   67    65 S   NNB  _N5_    62     1.38048   114.73843    -0.26980
   68    67 S   H    _H9_    63     1.01434   116.78717  -179.66254
   69    59 S   C    _C6_    64     1.40591   118.03154    88.09029
   70    69 S   O    _O33    65     1.23276   124.39981     1.57097
  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   5   5   4   3
   7   3   2   2   1   1   5   7   3   2   7  10   5   4  12   6
  11   7  11   7   4   1  11   5   3   1  10   2   8   4   6   3
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    44  
   41    42    43    44    45    46    47  
   42    43    44  
   43    44  
   44    45    46    47    48    49    60  
   45    46    47    48    49    50    51    55    60    53  
   46    47    48    49    60  
   47    48    49    60  
   48    49    50    51    52    55    56    59    60    57    53    54  
   49    50    51    55    60    53  
   50    51    52    55    56    59    60    57    58    53    54  
   51    52    55    60    57    53    54  
   52    55    56    59    61    69    60    57    58    53    54  
   55    56    59    60    57    58    53  
   54    55    57    60  
    0  
   56    59    61    62    63    67    69    70    60    57    58  
   59    61    69    60    57  
   58    59    60  
    0  
   61    62    63    64    65    67    68    69    70    60  
   61    69  
   62    63    64    65    66    67    69    70  
   63    64    65    69  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70  
   67    68    69  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660  -0.112500   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  -0.105000   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   3.7400   0.2000   1.048600   2.1070   1.8700   0.005000000   0.000000000
   34   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   35   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   40   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   41   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   42   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   145.000  2.163
   33    34   525.000  1.480
   33    35   525.000  1.480
   33    39   230.000  1.697
   39    40   230.000  1.697
   40    41   525.000  1.480
   40    42   525.000  1.480
   40    43   230.000  1.697
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    60   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   320.000  1.410
   51    52   340.000  1.090
   51    55   250.000  1.527
   51    57   320.000  1.410
   55    56   340.000  1.090
   55    59   275.000  1.479
   55    60   320.000  1.380
   59    61   448.000  1.365
   59    69   418.000  1.388
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   410.000  1.444
   65    66   570.000  1.229
   65    67   418.000  1.388
   67    68   434.000  1.010
   67    69   418.000  1.388
   69    70   570.000  1.229
   57    58   553.000  0.945
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    75.00000  100.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  114.00000
   29    33    35    80.00000  114.00000
   29    33    39    85.00000  111.00000
   33    39    40    50.00000  132.62000
   35    33    34   140.00000  119.90000
   39    33    34   100.00000  108.23000
   39    33    35   100.00000  108.23000
   39    40    41   100.00000  108.23000
   39    40    42   100.00000  108.23000
   39    40    43    45.00000  102.60000
   40    43    44   100.00000  120.50000
   42    40    41   140.00000  119.90000
   43    40    41   100.00000  108.23000
   43    40    42   100.00000  108.23000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    60    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    53    50.00000  109.50000
   47    60    55    60.00000  109.50000
   49    47    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    55    75.00000  109.43000
   49    51    57    50.00000  109.50000
   49    53    54    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    55    56    45.00000  112.01100
   51    55    59    75.00000  107.44000
   51    55    60    90.00000  108.56700
   51    57    58    55.00000  108.50000
   55    51    52    45.00000  108.72000
   55    59    61    70.00000  121.20000
   55    59    69    70.00000  117.60000
   59    55    56    55.00000  103.44000
   59    61    62    35.00000  119.10000
   59    61    63    70.00000  121.20000
   59    69    67    70.00000  118.60000
   59    69    70    80.00000  120.60000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  118.70000
   63    61    62    35.00000  120.00000
   63    65    66    80.00000  125.30000
   63    65    67    70.00000  114.10000
   65    63    64    35.00000  119.70000
   65    67    68    35.00000  116.80000
   65    67    69    70.00000  126.40000
   67    65    66    80.00000  120.60000
   67    69    70    80.00000  120.60000
   69    59    61    70.00000  121.60000
   69    67    68    35.00000  116.80000
   60    47    48    35.00000  109.50000
   60    47    49    50.00000  109.50000
   60    55    56    35.00000  109.50000
   60    55    59   105.00000  106.22000
   57    51    52    35.00000  109.50000
   57    51    55    90.00000  111.58700
   53    49    50    35.00000  109.50000
   53    49    51    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.15000  1.0 3.0
   24    29    33    35   0.15000  1.0 3.0
   24    29    33    39   0.15000  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    39    40    41   0.50000  1.0 3.0
   33    39    40    42   0.50000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   34    33    39    40   0.50000  1.0 3.0
   35    33    39    40   0.50000  1.0 3.0
   39    40    43    44   0.05050  1.0 1.0
   39    40    43    44  -1.30700 -1.0 2.0
   39    40    43    44   0.91550  1.0 3.0
   40    43    44    45   0.03000  1.0 3.0
   40    43    44    46   0.03000  1.0 3.0
   40    43    44    47  -2.65550  1.0 1.0
   40    43    44    47  -0.22350 -1.0 2.0
   40    43    44    47   0.24150  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   42    40    43    44   0.00000  1.0 1.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.62750  1.0 1.0
   43    44    47    49  -0.30950 -1.0 2.0
   43    44    47    49   0.27300  1.0 3.0
   43    44    47    60   1.11900  1.0 1.0
   43    44    47    60  -1.16350 -1.0 2.0
   43    44    47    60  -0.34150  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.56750  1.0 1.0
   44    47    49    51  -0.07550 -1.0 2.0
   44    47    49    51   0.20000  1.0 3.0
   44    47    49    53   0.86500  1.0 1.0
   44    47    49    53  -0.17500 -1.0 2.0
   44    47    49    53   0.20800  1.0 3.0
   44    47    60    55   0.06250  1.0 1.0
   44    47    60    55  -0.01100 -1.0 2.0
   44    47    60    55   0.28050  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    60   0.23400  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    60   0.23400  1.0 3.0
   47    49    51    52   0.15000  1.0 3.0
   47    49   -51    55   3.97050  1.0 1.0
   47    49    51    57   0.86500  1.0 1.0
   47    49    51    57  -0.17500 -1.0 2.0
   47    49    51    57   0.20800  1.0 3.0
   47    49    53    54  -0.11600  1.0 1.0
   47    49    53    54  -0.09450 -1.0 2.0
   47    49    53    54   0.21250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    60    55   0.37050  1.0 3.0
   49    47   -60    55   0.06250  1.0 1.0
   49    47   -60    55  -0.01100 -1.0 2.0
   49    47   -60    55   0.28050  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    59  -0.27100  1.0 1.0
   49    51    55    59  -0.01700 -1.0 2.0
   49    51    55    59  -0.48600  1.0 3.0
   49    51   -55    60   0.62750  1.0 1.0
   49    51   -55    60  -0.30950 -1.0 2.0
   49    51   -55    60   0.27300  1.0 3.0
   49    51    57    58  -0.11600  1.0 1.0
   49    51    57    58  -0.09450 -1.0 2.0
   49    51    57    58   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.23400  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54  -0.11600  1.0 1.0
   51    49    53    54  -0.09450 -1.0 2.0
   51    49    53    54   0.21250  1.0 3.0
   51    55    59    61   2.08450  1.0 1.0
   51    55    59    61  -0.39300 -1.0 2.0
   51    55    59    61   0.23400  1.0 3.0
   51    55    59    69  -0.43950  1.0 1.0
   51    55    59    69  -0.08100 -1.0 2.0
   51    55    59    69   0.03350  1.0 3.0
   51    55   -60    47   0.06250  1.0 1.0
   51    55   -60    47  -0.01100 -1.0 2.0
   51    55   -60    47   0.28050  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    60   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58  -0.11600  1.0 1.0
   55    51    57    58  -0.09450 -1.0 2.0
   55    51    57    58   0.21250  1.0 3.0
   55    59    61    62   1.88100 -1.0 2.0
   55    59    61    63  -0.88150  1.0 1.0
   55    59    61    63   2.95600 -1.0 2.0
   55    59    69    67   3.62500 -1.0 2.0
   55    59    69    70   3.04450 -1.0 2.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    69   0.00000  1.0 1.0
   56    55    60    47   0.37050  1.0 3.0
   59    55    60    47  -2.37750  1.0 1.0
   59    55    60    47  -0.08150 -1.0 2.0
   59    55    60    47   0.59000  1.0 3.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    65   7.00000 -1.0 2.0
   61    59    69    67   3.62500 -1.0 2.0
   61    59    69    70   2.67200 -1.0 2.0
   61    63    65    66   1.00000 -1.0 2.0
   61    63   -65    67   1.50000 -1.0 2.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    67    68   1.52500 -1.0 2.0
   63    65    67    69   7.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67   -69    59   3.00000 -1.0 2.0
   65    67    69    70   3.04450 -1.0 2.0
   66    65    67    68   2.45000 -1.0 2.0
   66    65    67    69   3.04450 -1.0 2.0
   68    67    69    59   2.56700 -1.0 2.0
   68    67    69    70   2.45000 -1.0 2.0
   69    59    61    62   1.44600  1.0 1.0
   69    59   -61    63  -0.18900  1.0 1.0
   69    59   -61    63   1.70900 -1.0 2.0
   60    47    49    50   0.23400  1.0 3.0
   60    47   -49    51   0.62750  1.0 1.0
   60    47   -49    51  -0.30950 -1.0 2.0
   60    47   -49    51   0.27300  1.0 3.0
   60    47    49    53   3.69350  1.0 1.0
   60    47    49    53  -1.82950 -1.0 2.0
   60    55    59    61  -0.28000  1.0 1.0
   60    55    59    61  -1.16550 -1.0 2.0
   60    55    59    69  -2.75650  1.0 1.0
   60    55    59    69  -1.18150 -1.0 2.0
   60    55    59    69   0.81900  1.0 3.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59   2.76900  1.0 1.0
   57    51    55    59  -0.24350 -1.0 2.0
   57    51    55    59  -0.78250  1.0 3.0
   57    51    55    60   3.69350  1.0 1.0
   57    51    55    60  -1.82950 -1.0 2.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55   0.86500  1.0 1.0
   53    49    51    55  -0.17500 -1.0 2.0
   53    49    51    55   0.20800  1.0 3.0
   53    49    51    57   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   61    69    59    55   1.00000 -1.0 2.0
   59    62    61    63   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    67    65    66  10.50000 -1.0 2.0
   68    65    67    69   1.00000 -1.0 2.0
   59    67    69    70  10.50000 -1.0 2.0
END
