* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    122    182     363
    1     0 S   NP   _N1_     1    28.76702    96.49127   -20.88700
    2     1 S   H    _HN1     2     1.02776    90.86241  -110.47100
    3     1 S   H    _H1_     3     1.02961    73.55609    -1.55746
    4     1 S   H    _H2_     4     1.02838    45.16163   134.80466
    5     1 S   CT   _CA1     5     1.50132   152.56570   101.11738
    6     5 S   HC   _HA1     6     1.09560   105.28589    84.17654
    7     5 S   CO3  _C1_     7     1.53911   112.30236   -36.26961
    8     7 S   O2Z  _O11     8     1.26363   114.99457   -41.26344
    9     7 S   O2Z  _O12     9     1.26243   115.05527   137.86984
   10     5 S   CT   _CB1    10     1.53133   107.46240  -157.50866
   11    10 S   HC   HB11    11     1.09821   109.81192   -46.12500
   12    10 S   HC   HB12    12     1.09814   110.26138    70.60925
   13    10 S   CT   _CG1    13     1.52983   112.48096  -166.97706
   14    13 S   HC   HG11    14     1.09585   110.58501   -57.61897
   15    13 S   HC   HG12    15     1.09544   109.72766    61.53182
   16    13 S   C    _CD1    16     1.51789   112.35851  -178.04616
   17    16 S   O    _OE1    17     1.22741   123.35422    -4.86728
   18    16 S   N    _N2_    18     1.38548   111.71571   174.71851
   19    18 S   H    _HN2    19     1.01686   119.17952     2.61868
   20    18 S   CT1  _CA2    20     1.46095   122.75071  -174.46501
   21    20 S   HC   _HA2    21     1.09789   108.16541    28.51918
   22    20 S   C    _C2_    22     1.52943   111.44380   -87.97559
   23    22 S   O    _O2_    23     1.23208   120.67282   159.18752
   24    20 S   CT   _CB2    32     1.53357   110.97586   150.16906
   25    24 S   HC   HB21    33     1.09344   109.61976    56.24294
   26    24 S   HC   HB22    34     1.09516   110.77057   174.94654
   27    22 S   N    _N3_    24     1.38099   115.15464   -27.62419
   28    27 S   H    _HN3    25     1.01577   119.76751     4.30612
   29    24 S   S    _SG2    35     1.82750   110.02468   -65.61304
   30    27 S   CT   _CA3    26     1.45402   122.27268  -177.19132
   31    30 S   HC   HA31    27     1.09586   107.71852   -54.03850
   32    30 S   HC   HA32    28     1.09568   107.56846    62.12408
   33    29 S   CT   _C12    36     1.82832   100.71609   159.70190
   34    33 S   HC   _H14    37     1.09495   108.92008    53.92683
   35    33 S   HC   _H15    38     1.09525   105.23197   169.14823
   36    30 S   CO3  _C3_    29     1.52759   114.77185  -176.26661
   37    36 S   O2Z  _O31    30     1.26327   116.09860    -7.36301
   38    36 S   O2Z  _O32    31     1.26409   114.47720   172.89532
   39    33 S   CT   _C10    39     1.53720   113.61336   -70.49251
   40    39 S   HC   _H8_    40     1.09487   109.64722    62.77038
   41    39 S   CT   _C11    41     1.53583   110.60280  -178.42990
   42    41 S   HC   _H11    42     1.09337   111.31814   177.64233
   43    41 S   HC   _H12    43     1.09502   110.28097   -61.85501
   44    39 S   OS1  _O34    46     1.43502   108.36098   -57.43509
   45    41 S   OH   _O35    44     1.42254   110.72905    57.93964
   46    45 S   HO   _H13    45     0.97240   107.16277   179.65622
   47    44 S   CO1  _C9_    47     1.43305   114.00191   155.60451
   48    47 S   HC   _H7_    48     1.09655   108.60045    56.05236
   49    47 S   CT   _C8_    49     1.53436   107.91623   175.21693
   50    49 S   HC   _H6_    50     1.09669   110.06667    54.11637
   51    49 S   CT   _C7_    51     1.53264   110.93625   176.08003
   52    51 S   HC   _H5_    52     1.09677   109.98632    73.88539
   53    49 S   OH5  _O36    67     1.42955   109.94385   -62.80489
   54    53 S   HO   _H16    68     0.97199   108.23558   -60.69192
   55    51 S   CT   _C6_    53     1.53304   111.68493   -48.58225
   56    55 S   HC   _H4_    54     1.09586   109.24812   -72.39556
   57    51 S   OH5  _O37    65     1.42879   109.71392  -170.49701
   58    57 S   HO   _H17    66     0.97681   108.14828    64.47832
   59    55 S   CT   _C5_    55     1.53173   110.73760    48.73326
   60    59 S   HC   _H3_    56     1.09840   110.98483    64.46473
   61    55 S   OH5  _O38    63     1.42616   109.77254   170.70333
   62    61 S   HO   _H18    64     0.97239   108.19989   -57.29818
   63    47 S   OS1  _O33    57     1.43042   111.07756   -65.06539
   64    59 S   CT   _C4_    58     1.52750   111.66637  -174.87929
   65    64 S   HC   _H9_    59     1.09349   111.01238    67.29996
   66    64 S   HC   _H10    60     1.09391   111.62699   -55.02230
   67    64 S   OH5  _O39    61     1.42471   109.02384  -174.17506
   68    67 S   HO   _H19    62     0.97670   106.34126  -174.77629
  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  11   6   6   4   3   9   1   1  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    47  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    46    44    47    48    49    63  
   41    42    43    45    44    47  
   42    43    45    46    44    47  
   43    45    46    44  
   45    46    44  
   47    48    49    50    51    59    63    53    45  
   46  
    0  
   48    49    50    51    52    55    59    60    63    64    57    53    54  
   49    50    51    59    63    53  
   50    51    52    55    56    59    63    61    57    58    53    54  
   51    52    55    63    57    53    54  
   52    55    56    59    60    63    64    61    62    57    58    53    54  
   55    56    59    61    57    58    53  
   54    55    57    63  
    0  
   56    59    60    63    64    65    66    67    61    62    57    58  
   59    60    63    64    61    62    57  
   58    59    61  
    0  
   60    63    64    65    66    67    68    61    62  
   63    64    65    66    67    61  
   62    63    64  
    0  
   64    65    66    67  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    44   335.000  1.422
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    46   553.000  0.945
   44    47   370.000  1.399
   47    48   360.000  1.097
   47    49   255.000  1.525
   47    63   370.000  1.399
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   355.000  1.421
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   335.000  1.422
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   355.000  1.421
   67    68   580.000  0.967
   61    62   580.000  0.967
   57    58   580.000  0.967
   53    54   580.000  0.967
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    44    95.00000  107.88500
   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    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    47    90.00000  112.10700
   41    39    40    37.50000  110.70000
   41    45    46    55.00000  108.50000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   44    39    40    55.00000  108.98800
   44    39    41    95.00000  107.88500
   44    47    48    60.00000  105.75400
   44    47    49    90.00000  109.70700
   44    47    63   110.00000  113.16000
   47    49    50    45.00000  109.54000
   47    49    51    70.00000  111.10000
   47    49    53    90.00000  109.42000
   47    63    59    90.00000  112.10700
   49    47    48    45.00000  111.65000
   49    51    52    37.50000  110.70000
   49    51    55    58.35000  112.70000
   49    51    57    90.00000  111.45300
   49    53    54    65.00000  108.53500
   51    49    50    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    61    90.00000  111.45300
   51    57    58    65.00000  108.53500
   55    51    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    95.00000  107.88500
   55    59    64    58.35000  112.70000
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    90.00000  111.45300
   63    47    48    60.00000  105.75400
   63    47    49    90.00000  109.70700
   63    59    60    55.00000  108.98800
   64    59    60    37.50000  110.70000
   64    59    63    95.00000  107.88500
   64    67    68    65.00000  108.53500
   66    64    65    33.00000  107.80000
   67    64    65    60.00000  109.39000
   67    64    66    60.00000  109.39000
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    51    52    60.00000  109.39000
   57    51    55    90.00000  111.45300
   53    49    50    60.00000  109.39000
   53    49    51    90.00000  111.45300
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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    44    47   0.06250  1.0 1.0
   33    39    44    47  -0.01100 -1.0 2.0
   33    39    44    47   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    44   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    44   0.23400  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   39    44    47    48   0.37050  1.0 3.0
   39    44    47    49   0.06250  1.0 1.0
   39    44    47    49  -0.01100 -1.0 2.0
   39    44    47    49   0.28050  1.0 3.0
   39    44    47    63  -0.12700  1.0 1.0
   39    44    47    63  -1.16200 -1.0 2.0
   39    44    47    63   0.58800  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    44    47   0.37050  1.0 3.0
   41    39    44    47   0.06250  1.0 1.0
   41    39    44    47  -0.01100 -1.0 2.0
   41    39    44    47   0.28050  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46   0.19450  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   3.69350  1.0 1.0
   44    39    41    45  -1.82950 -1.0 2.0
   44    47    49    50   0.23400  1.0 3.0
   44    47    49    51   0.62750  1.0 1.0
   44    47    49    51  -0.30950 -1.0 2.0
   44    47    49    51   0.27300  1.0 3.0
   44    47    49    53   1.51850  1.0 1.0
   44    47    63    59  -0.70400  1.0 1.0
   44    47    63    59  -0.90350 -1.0 2.0
   47    49    51    52   0.15000  1.0 3.0
   47    49    51    55   0.56750  1.0 1.0
   47    49    51    55  -0.07550 -1.0 2.0
   47    49    51    55   0.20000  1.0 3.0
   47    49    51    57  -0.47750  1.0 1.0
   47    49    53    54   0.29150  1.0 1.0
   47    49    53    54  -0.28350 -1.0 2.0
   47    49    53    54   0.43600  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    63    59   0.37050  1.0 3.0
   49    47    63    59   0.06250  1.0 1.0
   49    47    63    59  -0.01100 -1.0 2.0
   49    47    63    59   0.28050  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51   -55    59   0.56750  1.0 1.0
   49    51   -55    59  -0.07550 -1.0 2.0
   49    51   -55    59   0.20000  1.0 3.0
   49    51    55    61  -0.47750  1.0 1.0
   49    51    57    58   0.29150  1.0 1.0
   49    51    57    58  -0.28350 -1.0 2.0
   49    51    57    58   0.43600  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   0.29150  1.0 1.0
   51    49    53    54  -0.28350 -1.0 2.0
   51    49    53    54   0.43600  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    63   0.62750  1.0 1.0
   51    55    59    63  -0.30950 -1.0 2.0
   51    55    59    63   0.27300  1.0 3.0
   51    55    59    64   0.56750  1.0 1.0
   51    55    59    64  -0.07550 -1.0 2.0
   51    55    59    64   0.20000  1.0 3.0
   51    55    61    62   0.29150  1.0 1.0
   51    55    61    62  -0.28350 -1.0 2.0
   51    55    61    62   0.43600  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    61   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58   0.29150  1.0 1.0
   55    51    57    58  -0.28350 -1.0 2.0
   55    51    57    58   0.43600  1.0 3.0
   55    59   -63    47   0.06250  1.0 1.0
   55    59   -63    47  -0.01100 -1.0 2.0
   55    59   -63    47   0.28050  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59    64    66   0.15000  1.0 3.0
   55    59    64    67  -0.47750  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    64    67    68   0.29150  1.0 1.0
   59    64    67    68  -0.28350 -1.0 2.0
   59    64    67    68   0.43600  1.0 3.0
   60    59    63    47   0.37050  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.23400  1.0 3.0
   63    47    49    50   0.23400  1.0 3.0
   63    47   -49    51   0.62750  1.0 1.0
   63    47   -49    51  -0.30950 -1.0 2.0
   63    47   -49    51   0.27300  1.0 3.0
   63    47    49    53   1.51850  1.0 1.0
   63    59    64    65   0.23400  1.0 3.0
   63    59    64    66   0.23400  1.0 3.0
   63    59    64    67   1.51850  1.0 1.0
   64    59    63    47   0.06250  1.0 1.0
   64    59    63    47  -0.01100 -1.0 2.0
   64    59    63    47   0.28050  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   66    64    67    68   0.19450  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   1.51850  1.0 1.0
   61    55    59    64  -0.47750  1.0 1.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59  -0.47750  1.0 1.0
   57    51    55    61   3.77950  1.0 1.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55  -0.47750  1.0 1.0
   53    49    51    57   3.77950  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
END
