* LIGAND DATABASE FILE (OPLS2005)
*
001      68    67    120    170     348
    1     0 S   NP   _N1_     1    28.02901    96.84118   -19.27154
    2     1 S   H    _HN1     2     1.02928    72.59745   -22.63069
    3     1 S   H    _H1_     3     1.02866    45.61990   115.01009
    4     1 S   H    _H2_     4     1.02814    91.31149  -131.30834
    5     1 S   CT   _CA1     5     1.50040   152.60365    79.13507
    6     5 S   HC   _HA1     6     1.09564   105.31233    86.24430
    7     5 S   CO3  _C1_     7     1.54031   112.22883   -34.26366
    8     7 S   O2Z  _O11     8     1.26484   115.33802   -50.62184
    9     7 S   O2Z  _O12     9     1.26182   114.98098   129.11088
   10     5 S   CT   _CB1    10     1.53226   107.56452  -155.66620
   11    10 S   HC   HB11    11     1.09821   110.05717   -47.70228
   12    10 S   HC   HB12    12     1.09657   109.90012    68.47295
   13    10 S   CT   _CG1    13     1.53140   112.40656  -168.25941
   14    13 S   HC   HG11    14     1.09521   110.99051   -50.22086
   15    13 S   HC   HG12    15     1.09643   109.44168    68.44490
   16    13 S   C    _CD1    16     1.51870   112.64981  -169.79957
   17    16 S   O    _OE1    17     1.22777   123.17633    16.06135
   18    16 S   N    _N2_    18     1.38438   112.02741  -166.37906
   19    18 S   H    _HN2    19     1.01569   119.01039     6.51728
   20    18 S   CT1  _CA2    20     1.45984   123.00983  -179.24411
   21    20 S   HC   _HA2    21     1.09710   108.59002    29.88094
   22    20 S   C    _C2_    22     1.52772   107.35671   -87.25835
   23    22 S   O    _O2_    23     1.22936   123.05743   -28.93489
   24    20 S   CT   _CB2    32     1.53168   111.79801   153.08574
   25    24 S   HC   HB21    33     1.09641   110.08381    49.69746
   26    24 S   HC   HB22    34     1.09541   111.90152   167.92083
   27    22 S   N    _N3_    24     1.38468   112.37151   153.69794
   28    27 S   H    _HN3    25     1.01648   120.43874    -1.90865
   29    24 S   S    _SG2    35     1.82488   111.48729   -69.27931
   30    27 S   CT   _CA3    26     1.45339   122.57264   178.84208
   31    30 S   HC   HA31    27     1.09560   107.75377   -57.69724
   32    30 S   HC   HA32    28     1.09558   107.70754    58.69855
   33    29 S   CT   _C12    36     1.83136    99.78485   -88.54806
   34    33 S   HC   _H16    37     1.09484   106.90433   -97.06503
   35    33 S   HC   _H17    38     1.09483   108.96728    19.40160
   36    30 S   CO3  _C3_    29     1.52904   114.15494  -179.52853
   37    36 S   O2Z  _O31    30     1.26355   115.98872    -0.43611
   38    36 S   O2Z  _O32    31     1.26417   114.44347   179.54072
   39    33 S   CT   _C10    39     1.53544   114.10630   141.70769
   40    39 S   HC   _H5_    40     1.09753   108.68806   169.81485
   41    39 S   CT   _C11    41     1.52906   114.81595    48.88185
   42    41 S   HC   _H13    42     1.09417   111.93736   -74.25081
   43    41 S   HC   _H14    43     1.09430   111.04895    49.07442
   44    39 S   OS   _O35    46     1.44888   108.50265   -71.79129
   45    41 S   OH   _O36    44     1.42617   108.75201   167.67257
   46    45 S   HO   _H15    45     0.97251   107.04420  -179.61134
   47    44 S   CO4  _C9_    47     1.36336   117.87915   -91.40409
   48    47 S   O    _O34    48     1.22629   125.16168    -2.28353
   49    47 S   CT1  _C7_    49     1.52588   112.12378   178.83383
   50    49 S   HC   _H4_    50     1.09571   107.03331   110.71407
   51    49 S   CT   _C8_    51     1.52278   110.04741  -129.50982
   52    51 S   HC   _H10    52     1.09619   111.23012    59.56768
   53    51 S   HC   _H11    53     1.09526   110.88757   179.46259
   54    51 S   HC   _H12    54     1.09511   111.13634   -60.24763
   55    49 S   N    _N4_    55     1.45675   111.20402    -7.44492
   56    55 S   H    _H9_    56     1.01734   116.98745   -79.49127
   57    55 S   C    _C6_    57     1.38548   123.51911    94.08970
   58    57 S   O    _O33    58     1.22821   125.29684     4.29519
   59    57 S   CT1  _C5_    59     1.51799   112.21306  -175.14191
   60    59 S   HC   _H3_    60     1.09255   109.47644   -39.59583
   61    59 S   CT   _C4_    61     1.51990   110.82362    83.17323
   62    61 S   HC   _H6_    62     1.09595   111.34251    57.83598
   63    61 S   HC   _H7_    63     1.09474   111.28875   178.54062
   64    61 S   HC   _H8_    64     1.09496   110.85388   -61.43573
   65    59 S   NP   _N5_    65     1.48908   111.04124  -155.88209
   66    65 S   H    _H18    66     1.03277   110.56856   171.99433
   67    65 S   H    _H19    67     1.02829   111.24548    53.41096
   68    65 S   H    _H20    68     1.02833   112.07635   -66.95581
  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  10   6   6   4   3   7   1   1  10   4
  10   7   6   3   2   1   7   3  11   4   9   8   7   3   2   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    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  
   41    42    43    45    44    47  
   42    43    45    46    44    47  
   43    45    46    44  
   45    46    44  
   47    48    49    50    51    55    45  
   46  
    0  
   48    49    50    51    52    53    54    55    56    57  
   49    50    51    55  
   50    51    52    53    54    55    56    57    58    59  
   51    52    53    54    55    56    57  
   52    53    54    55    56    57  
   53    54    55  
   54    55  
   55  
   56    57    58    59    60    61    65  
   57    58    59  
   58    59    60    61    62    63    64    65    66    67    68  
   59    60    61    65  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.330000   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   320.000  1.410
   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   214.000  1.327
   47    48   570.000  1.229
   47    49   255.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    55   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   434.000  1.010
   55    57   490.000  1.335
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    65   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   434.000  1.010
   65    67   434.000  1.010
   65    68   434.000  1.010
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    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    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    47    83.00000  116.90000
   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    35.00000  109.50000
   44    39    41    50.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    49    90.00000  109.72300
   47    49    50    45.00000  110.09800
   47    49    51    70.00000  110.61500
   47    49    55    80.00000  110.29000
   49    47    48    75.00000  123.42600
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    37.50000  110.70000
   49    55    56    38.00000  118.40000
   49    55    57    50.00000  121.90000
   51    49    50    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    80.00000  109.70000
   55    57    58    80.00000  122.90000
   55    57    59    70.00000  116.60000
   57    55    56    35.00000  119.80000
   57    59    60    35.00000  109.50000
   57    59    61    63.00000  111.10000
   57    59    65    80.00000  111.20000
   59    57    58    80.00000  120.40000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   61    59    60    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    80.00000  111.20000
   67    65    66    35.00000  109.50000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  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   0.01700  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  -0.25900  1.0 1.0
   33    39    44    47  -0.47000 -1.0 2.0
   33    39    44    47   0.11750  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   3.00000 -1.0 2.0
   39    44    47    49   1.63150  1.0 1.0
   39    44    47    49   2.92000 -1.0 2.0
   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   0.08050  1.0 3.0
   41    39    44    47  -0.25900  1.0 1.0
   41    39    44    47  -0.47000 -1.0 2.0
   41    39    44    47   0.11750  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   0.00000  1.0 1.0
   44    47    49    51   0.36750  1.0 3.0
   44    47    49    55   0.40000  1.0 3.0
   47    49    51    52  -0.03800  1.0 3.0
   47    49    51    53  -0.03800  1.0 3.0
   47    49    51    54  -0.03800  1.0 3.0
   47    49    55    56   0.00000  1.0 1.0
   47    49    55    57  -0.29800  1.0 1.0
   47    49    55    57   0.13950 -1.0 2.0
   47    49    55    57  -2.45650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    55   0.00000  1.0 1.0
   49    55    57    58   3.04450 -1.0 2.0
   49    55    57    59   1.15000  1.0 1.0
   49    55    57    59   3.04450 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    57   0.25950  1.0 1.0
   51    49    55    57   0.43850 -1.0 2.0
   51    49    55    57   2.61650  1.0 3.0
   55    49    51    52   0.23200  1.0 3.0
   55    49    51    53   0.23200  1.0 3.0
   55    49    51    54   0.23200  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    61   0.93250  1.0 1.0
   55    57    59    61   0.04450 -1.0 2.0
   55    57    59    61   0.17550  1.0 3.0
   55    57    59    65   0.37150  1.0 1.0
   55    57    59    65   1.25400 -1.0 2.0
   55    57    59    65  -0.40250  1.0 3.0
   56    55    57    58   2.45000 -1.0 2.0
   56    55    57    59   2.45000 -1.0 2.0
   57    59    61    62  -0.03800  1.0 3.0
   57    59    61    63  -0.03800  1.0 3.0
   57    59    61    64  -0.03800  1.0 3.0
   57    59    65    66   0.17350  1.0 3.0
   57    59    65    67   0.17350  1.0 3.0
   57    59    65    68   0.17350  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    65   0.00000  1.0 1.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    65    66   0.13050  1.0 3.0
   60    59    65    67   0.13050  1.0 3.0
   60    59    65    68   0.13050  1.0 3.0
   61    59    65    66   0.17350  1.0 3.0
   61    59    65    67   0.17350  1.0 3.0
   61    59    65    68   0.17350  1.0 3.0
   65    59    61    62   0.23200  1.0 3.0
   65    59    61    63   0.23200  1.0 3.0
   65    59    61    64   0.23200  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   44    49    47    48  10.50000 -1.0 2.0
   56    57    55    49   1.00000 -1.0 2.0
   55    59    57    58  10.50000 -1.0 2.0
END
