* LIGAND DATABASE FILE (OPLS2005)
*
001      61    60    106    156     311
    1     0 S   NP   _N1_     1    28.74016    96.25391   -23.45931
    2     1 S   H    _HN1     2     1.02783   104.76854   -88.22117
    3     1 S   H    _H1_     3     1.02952    73.08193    16.87108
    4     1 S   H    _H2_     4     1.02827    37.37804   171.50081
    5     1 S   CT   _CA1     5     1.50110   138.66049   118.73880
    6     5 S   HC   _HA1     6     1.09573   105.20797    90.30730
    7     5 S   CO3  _C1_     7     1.53790   112.46498   -29.93051
    8     7 S   O2Z  _O11     8     1.26369   115.00219   -42.42494
    9     7 S   O2Z  _O12     9     1.26242   114.94600   136.75664
   10     5 S   CT   _CB1    10     1.53088   107.42572  -151.71221
   11    10 S   HC   HB11    11     1.09830   109.36817   -49.98053
   12    10 S   HC   HB12    12     1.09814   110.43985    66.62328
   13    10 S   CT   _CG1    13     1.52984   112.60782  -170.98799
   14    13 S   HC   HG11    14     1.09586   110.58472   -65.24896
   15    13 S   HC   HG12    15     1.09670   109.82640    53.97499
   16    13 S   C    _CD1    16     1.51800   112.29859   174.40865
   17    16 S   O    _OE1    17     1.22723   123.31674     4.82365
   18    16 S   N    _N2_    18     1.38657   111.61902  -175.24222
   19    18 S   H    _HN2    19     1.01584   118.91112     1.79188
   20    18 S   CT1  _CA2    20     1.46192   123.40207   177.73843
   21    20 S   HC   _HA2    21     1.09735   109.39391     0.26319
   22    20 S   C    _C2_    22     1.53514   108.47838  -115.20037
   23    22 S   O    _O2_    23     1.23048   122.31570  -147.44293
   24    20 S   CT   _CB2    32     1.53341   111.58680   122.31381
   25    24 S   HC   HB21    33     1.09588   110.05813    55.85302
   26    24 S   HC   HB22    34     1.09455   110.03748   174.90253
   27    22 S   N    _N3_    24     1.38339   113.63831    39.97301
   28    27 S   H    _HN3    25     1.01599   119.57899    -3.35970
   29    24 S   S    _SG2    35     1.82832   111.48959   -64.98308
   30    27 S   CT   _CA3    26     1.45290   123.18344   177.10058
   31    30 S   HC   HA31    27     1.09550   107.51234   -64.39486
   32    30 S   HC   HA32    28     1.09557   107.97695    52.03537
   33    29 S   CT   _C12    36     1.83431    99.66007   174.71977
   34    33 S   Cl   CL14    37     1.79192   110.18278    72.10329
   35    33 S   HC   _H3_    38     1.09537   107.50700   -43.55287
   36    30 S   CO3  _C3_    29     1.52953   114.09488   174.02598
   37    36 S   O2Z  _O31    30     1.26375   116.06158    -0.83181
   38    36 S   O2Z  _O32    31     1.26429   114.41339   179.23026
   39    33 S   CT   _C10    39     1.54507   113.58938  -163.77288
   40    39 S   HC   _H25    40     1.09962   107.49224   177.98802
   41    39 S   CM   _C6_    41     1.50949   115.21040   -60.03567
   42    41 S   HC   _H19    42     1.08794   117.47911    62.32871
   43    39 S   CO4  _C8_    59     1.52521   110.22234    64.84911
   44    43 S   O    _O33    60     1.22724   125.17398  -135.43341
   45    43 S   HC   _H21    61     1.10461   115.00553    47.95247
   46    41 S   CM   _C7_    43     1.34285   123.63015  -119.00437
   47    46 S   HC   _H20    44     1.08769   119.06775     0.81181
   48    46 S   CT   _C11    45     1.51068   123.56149  -179.17861
   49    48 S   Cl   CL13    46     1.80278   106.78789  -120.15136
   50    48 S   HC   _H26    47     1.09773   109.36191    -7.50072
   51    48 S   CT   _C13    48     1.56219   113.72883   114.69513
   52    51 S   Cl   CL15    49     1.82301   108.76594  -177.31052
   53    51 S   CM   _C5_    50     1.52500   109.17073   -63.41330
   54    53 S   HC   _H18    51     1.09041   115.79489   -57.80931
   55    51 S   CT   _C9_    55     1.53981   113.21807    64.44457
   56    55 S   HC   _H22    56     1.09529   112.06027    59.60068
   57    55 S   HC   _H23    57     1.09533   111.84905   -61.02185
   58    55 S   HC   _H24    58     1.09710   111.41691   178.97016
   59    53 S   CM   _C4_    52     1.33941   127.69986   121.27264
   60    59 S   HC   _H16    53     1.08546   120.04118  -179.37536
   61    59 S   HC   _H17    54     1.08326   122.74545     0.24469
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1   9   6  10   4   3   1   1   8   4  11
   5   4  10   7   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    47    48    43    44    45  
   41    42    46    43    44    45  
   42    46    47    48    49    50    51    43    44    45  
   46    47    48    43  
   44    45    46  
   45  
    0  
   47    48    49    50    51    52    53    55  
   48    49    50    51  
   49    50    51    52    53    54    59    55    56    57    58  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    59    60    61    55    56    57    58  
   53    54    59    55    56    57    58  
   54    59    60    61    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    43   317.000  1.522
   41    42   340.000  1.080
   41    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   245.000  1.781
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   245.000  1.781
   51    53   317.000  1.510
   51    55   268.000  1.529
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   570.000  1.229
   43    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.02700
   33    39    43    63.00000  111.10000
   35    33    34    51.00000  107.60000
   39    33    34    69.00000  109.80000
   39    33    35    37.50000  110.70000
   39    41    42    35.00000  117.00000
   39    41    46    70.00000  124.00000
   39    43    44    80.00000  120.40000
   39    43    45    35.00000  115.00000
   41    39    40    35.00000  109.50000
   41    46    47    35.00000  120.00000
   41    46    48    70.00000  124.00000
   46    41    42    35.00000  120.00000
   46    48    49    75.00000  111.90500
   46    48    50    35.00000  109.50000
   46    48    51    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    51    52    69.00000  109.80000
   48    51    53    70.00000  112.02700
   48    51    55    58.35000  112.70000
   50    48    49    51.00000  107.60000
   51    48    49    69.00000  109.80000
   51    48    50    37.50000  110.70000
   51    53    54    35.00000  117.00000
   51    53    59    70.00000  124.00000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    75.00000  111.90500
   53    59    60    35.00000  120.00000
   53    59    61    35.00000  120.00000
   59    53    54    35.00000  120.00000
   61    59    60    35.00000  117.00000
   55    51    52    69.00000  109.80000
   55    51    53    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    70.00000  109.06800
   45    43    44    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    46   0.09850  1.0 1.0
   33    39    41    46   0.15250 -1.0 2.0
   33    39    41    46  -0.50650  1.0 3.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    45   0.74550  1.0 1.0
   33    39    43    45  -0.00500 -1.0 2.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    43   0.56750  1.0 1.0
   34    33    39    43  -0.07550 -1.0 2.0
   34    33    39    43   0.20000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43  -0.11250  1.0 3.0
   39    41    46    47   7.00000 -1.0 2.0
   39    41    46    48   7.00000 -1.0 2.0
   40    39    41    42   0.33100  1.0 3.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   41    39    43    44   0.30150 -1.0 2.0
   41    39    43    45   0.81450  1.0 1.0
   41    39    43    45  -0.29600 -1.0 2.0
   41    39    43    45   0.60450  1.0 3.0
   41    46    48    49   0.09700  1.0 1.0
   41    46    48    49   0.15600 -1.0 2.0
   41    46    48    49  -0.50800  1.0 3.0
   41    46    48    50   0.00000  1.0 1.0
   41    46    48    51   0.09850  1.0 1.0
   41    46    48    51   0.15250 -1.0 2.0
   41    46    48    51  -0.50650  1.0 3.0
   42    41    46    47   7.00000 -1.0 2.0
   42    41    46    48   7.00000 -1.0 2.0
   46    48    51    52   0.56750  1.0 1.0
   46    48    51    52  -0.07550 -1.0 2.0
   46    48    51    52   0.20000  1.0 3.0
   46    48    51    53   0.31000  1.0 1.0
   46    48    51    53   0.14700 -1.0 2.0
   46    48    51    53   0.07550  1.0 3.0
   46    48    51    55   0.34400  1.0 1.0
   46    48    51    55   0.09450 -1.0 2.0
   46    48    51    55   0.11100  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.33100  1.0 3.0
   47    46    48    51   0.00000  1.0 1.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    59   0.09850  1.0 1.0
   48    51    53    59   0.15250 -1.0 2.0
   48    51    53    59  -0.50650  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51    55    58   0.15000  1.0 3.0
   49    48    51    52   0.22500  1.0 1.0
   49    48    51    53   0.56750  1.0 1.0
   49    48    51    53  -0.07550 -1.0 2.0
   49    48    51    53   0.20000  1.0 3.0
   49    48    51    55   0.35600  1.0 1.0
   49    48    51    55  -0.14650 -1.0 2.0
   49    48    51    55   0.33350  1.0 3.0
   50    48    51    52   0.27000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    59    60   7.00000 -1.0 2.0
   51    53    59    61   7.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    59   0.09700  1.0 1.0
   52    51    53    59   0.15600 -1.0 2.0
   52    51    53    59  -0.50800  1.0 3.0
   52    51    55    56   0.27000  1.0 3.0
   52    51    55    57   0.27000  1.0 3.0
   52    51    55    58   0.27000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    61   7.00000 -1.0 2.0
   55    51    53    54   0.00000  1.0 1.0
   55    51    53    59   0.09850  1.0 1.0
   55    51    53    59   0.15250 -1.0 2.0
   55    51    53    59  -0.50650  1.0 3.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    46  -0.51250  1.0 1.0
   43    39    41    46  -0.88800 -1.0 2.0
   43    39    41    46   0.08850  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    42    41    46  15.00000 -1.0 2.0
   48    47    46    41  15.00000 -1.0 2.0
   51    54    53    59  15.00000 -1.0 2.0
   60    61    59    53  15.00000 -1.0 2.0
   39    45    43    44  10.50000 -1.0 2.0
END
