* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    119    167     342
    1     0 S   NP   _N1_     1    29.02076    95.33328   -24.24394
    2     1 S   H    _HN1     2     1.02952    77.38439    11.40258
    3     1 S   H    _H1_     3     1.02827    30.77016   175.92335
    4     1 S   H    _H2_     4     1.02783   110.73636   -93.69906
    5     1 S   CT   _CA1     5     1.50121   130.50254   117.56090
    6     5 S   HC   _HA1     6     1.09573   105.18516    86.96518
    7     5 S   CO3  _C1_     7     1.53787   112.48215   -33.23226
    8     7 S   O2Z  _O11     8     1.26370   115.00821   -41.65256
    9     7 S   O2Z  _O12     9     1.26241   114.94943   137.45463
   10     5 S   CT   _CB1    10     1.53076   107.41136  -155.06504
   11    10 S   HC   HB11    11     1.09832   109.34378   -49.73886
   12    10 S   HC   HB12    12     1.09814   110.44636    66.85896
   13    10 S   CT   _CG1    13     1.52989   112.63241  -170.73834
   14    13 S   HC   HG11    14     1.09582   110.60164   -65.91850
   15    13 S   HC   HG12    15     1.09669   109.81839    53.32602
   16    13 S   C    _CD1    16     1.51791   112.24099   173.73593
   17    16 S   O    _OE1    17     1.22731   123.29624     5.86374
   18    16 S   N    _N2_    18     1.38655   111.67031  -174.18324
   19    18 S   H    _HN2    19     1.01584   118.98526     1.42395
   20    18 S   CT1  _CA2    20     1.46090   123.33826   177.63222
   21    20 S   HC   _HA2    21     1.09590   109.30914     1.29995
   22    20 S   C    _C2_    22     1.53547   108.84347  -113.78067
   23    22 S   O    _O2_    23     1.23062   122.21377  -149.42248
   24    20 S   CT   _CB2    32     1.53280   111.68096   123.71058
   25    24 S   HC   HB21    33     1.09651   109.71637    61.14905
   26    24 S   HC   HB22    34     1.09567   110.95407   178.59779
   27    22 S   N    _N3_    24     1.38314   113.73392    38.13725
   28    27 S   H    _HN3    25     1.01590   119.55898    -3.55160
   29    24 S   S    _SG2    35     1.82851   114.44399   -58.77341
   30    27 S   CT   _CA3    26     1.45282   123.22293   177.00906
   31    30 S   HC   HA31    27     1.09550   107.53665   -63.92758
   32    30 S   HC   HA32    28     1.09556   107.95698    52.50883
   33    29 S   CT   _C10    36     1.82927    99.76361   -65.99423
   34    33 S   HC   _H11    37     1.09509   108.15110   -49.58358
   35    33 S   HC   _H12    38     1.09277   108.01090    68.61106
   36    30 S   CO3  _C3_    29     1.52958   114.07064   174.48843
   37    36 S   O2Z  _O31    30     1.26376   116.05988    -0.51813
   38    36 S   O2Z  _O32    31     1.26425   114.41473   179.53480
   39    33 S   CT   _C9_    39     1.53718   110.78663  -170.21114
   40    39 S   HC   _H7_    40     1.09875   108.87840   -51.25016
   41    39 S   CT   _C8_    41     1.54286   110.82925  -172.29421
   42    41 S   HC   _H6_    42     1.09892   108.19020   -57.20474
   43    41 S   CT   _C7_    43     1.54021   110.08263  -176.10007
   44    43 S   HC   _H5_    44     1.09440   109.52698   174.87772
   45    41 S   OS   _O34    61     1.43158   108.68012    61.52746
   46    43 S   CT   _C6_    45     1.53245   110.73926    52.59536
   47    46 S   HC   _H4_    46     1.09750   110.08065  -170.38391
   48    43 S   OH   _O35    59     1.42918   109.42054   -67.83354
   49    48 S   HO   _H16    60     0.97270   107.36436  -174.36344
   50    45 S   CT   _C11    62     1.42056   113.62948  -162.38060
   51    50 S   HC   _H13    63     1.09350   108.10536   174.81458
   52    50 S   HC   _H14    64     1.09413   110.74079    56.20644
   53    50 S   HC   _H15    65     1.09287   111.05814   -66.72558
   54    46 S   CT   _C5_    47     1.53892   110.41537   -51.03314
   55    54 S   HC   _H3_    48     1.09748   109.95252   -65.16644
   56    46 S   OS   _O36    54     1.42996   108.51787    68.73393
   57    39 S   OS   _O33    49     1.43373   108.07548    67.93806
   58    54 S   CT   _C4_    50     1.52459   112.29992   174.34847
   59    58 S   HC   _H8_    51     1.09531   111.53355   -64.65305
   60    58 S   HC   _H9_    52     1.09564   110.11266   177.55848
   61    58 S   HC   _H10    53     1.09406   111.29519    57.24619
   62    56 S   SY   _S1_    55     1.63914   119.99151   104.26830
   63    62 S   OY   _O39    56     1.46171   104.42063   -55.37405
   64    62 S   OY   _O37    57     1.46133   103.44966  -175.16758
   65    62 S   OY   _O38    58     1.46163   104.15976    65.06825
  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  13   6  15   7  13   7   7  15   7   3
   1   3   2   1   1   8   6   6   4   3   2   1   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    57  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54    57    45  
   35    39    40    41    57  
   39    40    41    57  
   37    38  
   38  
    0  
   40    41    42    43    44    46    54    55    57    58    48    45    50  
   41    42    43    54    57    45  
   42    43    44    46    47    54    57    56    48    49    45    50    51    52    53  
   43    44    46    57    48    45    50  
   44    46    47    54    55    57    58    56    62    48    49    45    50  
   46    47    54    56    48    49    45  
   50    51    52    53    46    48    57  
   47    54    55    57    58    59    60    61    56    62    63    64    65    48    49  
   54    55    57    58    56    62    48  
   49    54    56  
    0  
   51    52    53  
   52    53  
   53  
    0  
   55    57    58    59    60    61    56    62  
   57    58    59    60    61    56  
   62    63    64    65    57    58  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   63   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   64   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    57   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    54   268.000  1.529
   46    56   320.000  1.410
   54    55   340.000  1.090
   54    57   320.000  1.410
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   56    62   335.000  1.682
   62    63   735.000  1.471
   62    64   735.000  1.471
   62    65   735.000  1.471
   48    49   553.000  0.945
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    57    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    57    54    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    50    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    54    58.35000  112.70000
   43    46    56    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    57    50.00000  109.50000
   46    54    58    58.35000  112.70000
   46    56    62   100.00000  113.05000
   54    46    47    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   57    39    40    35.00000  109.50000
   57    39    41    50.00000  109.50000
   57    54    55    35.00000  109.50000
   58    54    55    37.50000  110.70000
   58    54    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   56    46    47    35.00000  109.50000
   56    46    54    50.00000  109.50000
   56    62    63   135.00000  106.70400
   56    62    64   135.00000  106.70400
   56    62    65   135.00000  106.70400
   64    62    63   115.00000  120.17200
   65    62    63   115.00000  120.17200
   65    62    64   115.00000  120.17200
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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   0.32350  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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    57   0.56750  1.0 1.0
   29    33    39    57  -0.07550 -1.0 2.0
   29    33    39    57   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    57    54   0.06250  1.0 1.0
   33    39    57    54  -0.01100 -1.0 2.0
   33    39    57    54   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    57   0.23400  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    57   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    46   0.56750  1.0 1.0
   39    41    43    46  -0.07550 -1.0 2.0
   39    41    43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50   0.06250  1.0 1.0
   39    41    45    50  -0.01100 -1.0 2.0
   39    41    45    50   0.28050  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    57    54   0.37050  1.0 3.0
   41    39    57    54   0.06250  1.0 1.0
   41    39    57    54  -0.01100 -1.0 2.0
   41    39    57    54   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    54   0.56750  1.0 1.0
   41    43   -46    54  -0.07550 -1.0 2.0
   41    43   -46    54   0.20000  1.0 3.0
   41    43    46    56   0.62750  1.0 1.0
   41    43    46    56  -0.30950 -1.0 2.0
   41    43    46    56   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.37050  1.0 3.0
   41    45    50    52   0.37050  1.0 3.0
   41    45    50    53   0.37050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.37050  1.0 3.0
   43    41    45    50   0.06250  1.0 1.0
   43    41    45    50  -0.01100 -1.0 2.0
   43    41    45    50   0.28050  1.0 3.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    57   0.62750  1.0 1.0
   43    46    54    57  -0.30950 -1.0 2.0
   43    46    54    57   0.27300  1.0 3.0
   43    46    54    58   0.56750  1.0 1.0
   43    46    54    58  -0.07550 -1.0 2.0
   43    46    54    58   0.20000  1.0 3.0
   43    46    56    62   0.37500  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    46    56   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    54   -57    39   0.06250  1.0 1.0
   46    54   -57    39  -0.01100 -1.0 2.0
   46    54   -57    39   0.28050  1.0 3.0
   46    54    58    59   0.15000  1.0 3.0
   46    54    58    60   0.15000  1.0 3.0
   46    54    58    61   0.15000  1.0 3.0
   46    56    62    63   0.29800  1.0 3.0
   46    56    62    64   0.29800  1.0 3.0
   46    56    62    65   0.29800  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    57   0.23400  1.0 3.0
   47    46    54    58   0.15000  1.0 3.0
   47    46    56    62   0.00000  1.0 1.0
   54    46    56    62   0.37500  1.0 3.0
   55    54    57    39   0.37050  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   57    39    41    42   0.23400  1.0 3.0
   57    39   -41    43   0.62750  1.0 1.0
   57    39   -41    43  -0.30950 -1.0 2.0
   57    39   -41    43   0.27300  1.0 3.0
   57    39    41    45   1.11900  1.0 1.0
   57    39    41    45  -1.16350 -1.0 2.0
   57    39    41    45  -0.34150  1.0 3.0
   57    54    58    59   0.23400  1.0 3.0
   57    54    58    60   0.23400  1.0 3.0
   57    54    58    61   0.23400  1.0 3.0
   58    54    57    39   0.06250  1.0 1.0
   58    54    57    39  -0.01100 -1.0 2.0
   58    54    57    39   0.28050  1.0 3.0
   56    46    54    55   0.23400  1.0 3.0
   56    46    54    57   1.11900  1.0 1.0
   56    46    54    57  -1.16350 -1.0 2.0
   56    46    54    57  -0.34150  1.0 3.0
   56    46    54    58   0.62750  1.0 1.0
   56    46    54    58  -0.30950 -1.0 2.0
   56    46    54    58   0.27300  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
   48    43    46    56   3.69350  1.0 1.0
   48    43    46    56  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
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
END
