* LIGAND DATABASE FILE (OPLS2005)
*
001      67    66    116    165     335
    1     0 S   NP   _N1_     1    29.31903    95.75874   -24.33531
    2     1 S   H    _HN1     2     1.02788   114.13210   -83.64033
    3     1 S   H    _H1_     3     1.02950    70.88620    18.49216
    4     1 S   H    _H2_     4     1.02828    36.69915  -171.47193
    5     1 S   CT   _CA1     5     1.50114   130.17722   119.46891
    6     5 S   HC   _HA1     6     1.09573   105.18799    95.89418
    7     5 S   CO3  _C1_     7     1.53786   112.48140   -24.32878
    8     7 S   O2Z  _O11     8     1.26371   115.00936   -42.19925
    9     7 S   O2Z  _O12     9     1.26241   114.94558   136.93291
   10     5 S   CT   _CB1    10     1.53075   107.41683  -146.12683
   11    10 S   HC   HB11    11     1.09834   109.35678   -49.68284
   12    10 S   HC   HB12    12     1.09813   110.45085    66.92008
   13    10 S   CT   _CG1    13     1.52993   112.61982  -170.66188
   14    13 S   HC   HG11    14     1.09579   110.63733   -65.94389
   15    13 S   HC   HG12    15     1.09669   109.78585    53.30169
   16    13 S   C    _CD1    16     1.51785   112.19635   173.74392
   17    16 S   O    _OE1    17     1.22733   123.27785     7.18010
   18    16 S   N    _N2_    18     1.38668   111.70564  -172.83464
   19    18 S   H    _HN2    19     1.01581   118.94775     2.01645
   20    18 S   CT1  _CA2    20     1.46059   123.29528   177.45055
   21    20 S   HC   _HA2    21     1.09570   109.26470     3.97385
   22    20 S   C    _C2_    22     1.53502   108.74763  -110.75791
   23    22 S   O    _O2_    23     1.23046   122.32355  -145.91863
   24    20 S   CTL  _CB2    32     1.53276   111.66519   126.65663
   25    24 S   HC   HB21    33     1.09662   109.70461    59.37770
   26    24 S   HC   HB22    34     1.09554   110.88178   176.46116
   27    22 S   N    _N3_    24     1.38323   113.64072    41.80518
   28    27 S   H    _HN3    25     1.01579   119.66127    -3.64121
   29    24 S   S    _SG2    35     1.83195   114.94403   -60.70631
   30    27 S   CT   _CA3    26     1.45273   123.14378   176.59285
   31    30 S   HC   HA31    27     1.09557   107.50072   -63.81733
   32    30 S   HC   HA32    28     1.09554   107.97701    52.60987
   33    29 S   S    _S18    36     2.05586   103.12594   -59.66897
   34    30 S   CO3  _C3_    29     1.52947   114.08352   174.57664
   35    34 S   O2Z  _O31    30     1.26374   116.07109    -1.87179
   36    34 S   O2Z  _O32    31     1.26423   114.41468   178.18987
   37    33 S   CTL  _C10    37     1.83057   102.49046   -78.26349
   38    37 S   HC   _H27    38     1.09461   109.33787    27.78887
   39    37 S   HC   _H28    39     1.09482   107.65947   -88.83423
   40    37 S   CT1  _C12    40     1.53728   112.49167   148.87137
   41    40 S   HC   _H30    41     1.09787   108.37454  -176.64795
   42    40 S   C    _C6_    42     1.52939   112.37610    64.42424
   43    42 S   O    _O15    43     1.22977   122.70862  -107.37215
   44    40 S   N    _N11    60     1.45956   112.55132   -58.70001
   45    44 S   H    _H32    61     1.01662   117.66727   105.15951
   46    42 S   N    _N12    44     1.38554   112.63576    71.25828
   47    46 S   H    _H33    45     1.01489   119.68395    -0.56855
   48    44 S   C    _C4_    62     1.38252   122.98804   -73.59744
   49    48 S   O    _O13    63     1.22781   125.31596    -1.87378
   50    46 S   CT1  _C11    46     1.45955   122.82402  -177.36196
   51    50 S   HC   _H29    47     1.09799   108.52718   -28.89051
   52    48 S   CT   _C7_    64     1.50457   112.57451   179.01722
   53    52 S   HC   _H19    65     1.09324   109.38364    76.32441
   54    52 S   HC   _H20    66     1.09347   109.61935  -163.81963
   55    52 S   HC   _H21    67     1.09381   110.51945   -44.23591
   56    50 S   C    _C5_    48     1.53231   106.48902    87.50282
   57    56 S   O    _O14    49     1.22992   123.14650    28.38350
   58    50 S   CT   _C9_    56     1.53938   112.38731  -152.85670
   59    58 S   SM   _S17    57     1.83575   110.72168    71.05620
   60    58 S   HC   _H25    58     1.09809   109.11105   -52.66954
   61    58 S   HC   _H26    59     1.09750   108.93273  -166.72910
   62    56 S   N    _N10    50     1.38720   112.50050  -154.02914
   63    62 S   H    _H31    51     1.01533   119.56562     2.88927
   64    62 S   CT   _C8_    52     1.44270   122.12748  -179.47251
   65    64 S   HC   _H22    53     1.09301   108.57473   -77.55228
   66    64 S   HC   _H23    54     1.09228   108.68326   162.89733
   67    64 S   HC   _H24    55     1.09318   110.03079    42.26254
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  11   6  10   4   8   3  10   4   5
   4  10   7   3   2   1   1  11   4   4   2   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    50    44    45    48    49    52  
   42    43    46    44    45    48  
   43    46    47    50    51    56    58    44    45    48  
   46    47    50    44  
   45    48    49    52    53    54    55    46  
   48    49    52  
   47    50    51    56    57    62    58    59    60    61  
   50    51    56    58  
   49    52    53    54    55  
   52    53    54    55  
   51    56    57    62    63    64    58    59    60    61  
   56    57    62    58    59    60    61  
   53    54    55  
   54    55  
   55  
    0  
   57    62    63    64    65    66    67    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    44   337.000  1.449
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    50   337.000  1.449
   50    51   340.000  1.090
   50    56   317.000  1.522
   50    58   268.000  1.529
   56    57   570.000  1.229
   56    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   58    59   222.000  1.810
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   434.000  1.010
   44    48   490.000  1.335
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    50.00000  114.70000
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    44    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    80.00000  120.40000
   40    42    46    70.00000  116.60000
   40    44    45    38.00000  118.40000
   40    44    48    50.00000  121.90000
   42    40    41    35.00000  109.50000
   42    46    47    35.00000  119.80000
   42    46    50    50.00000  121.90000
   46    42    43    80.00000  122.90000
   46    50    51    35.00000  109.50000
   46    50    56    63.00000  110.10000
   46    50    58    80.00000  109.70000
   50    46    47    38.00000  118.40000
   50    56    57    80.00000  120.40000
   50    56    62    70.00000  116.60000
   50    58    59    50.00000  114.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   56    50    51    35.00000  109.50000
   56    62    63    35.00000  119.80000
   56    62    64    50.00000  121.90000
   62    56    57    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   64    62    63    38.00000  118.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    56    63.00000  111.10000
   60    58    59    35.00000  109.50000
   61    58    59    35.00000  109.50000
   61    58    60    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    63.00000  110.10000
   44    48    49    80.00000  122.90000
   44    48    52    70.00000  116.60000
   48    44    45    35.00000  119.80000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   52    48    49    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.71400  1.0 1.0
   33    37    40    44   0.04300 -1.0 2.0
   33    37    40    44   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.93250  1.0 1.0
   37    40    42    46   0.04450 -1.0 2.0
   37    40    42    46   0.17550  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40    44    48   0.25950  1.0 1.0
   37    40    44    48   0.43850 -1.0 2.0
   37    40    44    48   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.23200  1.0 3.0
   40    42    46    47   2.45000 -1.0 2.0
   40    42    46    50   1.15000  1.0 1.0
   40    42    46    50   3.04450 -1.0 2.0
   40    44    48    49   3.04450 -1.0 2.0
   40    44    48    52   1.15000  1.0 1.0
   40    44    48    52   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    48  -0.29800  1.0 1.0
   42    40    44    48   0.13950 -1.0 2.0
   42    40    44    48  -2.45650  1.0 3.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    56  -0.29800  1.0 1.0
   42    46    50    56   0.13950 -1.0 2.0
   42    46    50    56  -2.45650  1.0 3.0
   42    46    50    58   0.25950  1.0 1.0
   42    46    50    58   0.43850 -1.0 2.0
   42    46    50    58   2.61650  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    50   3.04450 -1.0 2.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    62   0.37150  1.0 1.0
   46    50    56    62   1.25400 -1.0 2.0
   46    50    56    62  -0.40250  1.0 3.0
   46    50    58    59   0.71400  1.0 1.0
   46    50    58    59   0.04300 -1.0 2.0
   46    50    58    59   0.01450  1.0 3.0
   46    50    58    60   0.23200  1.0 3.0
   46    50    58    61   0.23200  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    56   0.00000  1.0 1.0
   47    46    50    58   0.00000  1.0 1.0
   50    56    62    63   2.45000 -1.0 2.0
   50    56    62    64   1.15000  1.0 1.0
   50    56    62    64   3.04450 -1.0 2.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    62   0.00000  1.0 1.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   56    50    58    59  -2.17200  1.0 1.0
   56    50    58    59  -0.85700 -1.0 2.0
   56    50    58    60  -0.03800  1.0 3.0
   56    50    58    61  -0.03800  1.0 3.0
   56    62    64    65   0.00000  1.0 1.0
   56    62    64    66   0.00000  1.0 1.0
   56    62    64    67   0.00000  1.0 1.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    64   3.04450 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   58    50    56    57   0.00000  1.0 1.0
   58    50    56    62   0.93250  1.0 1.0
   58    50    56    62   0.04450 -1.0 2.0
   58    50    56    62   0.17550  1.0 3.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    46   0.37150  1.0 1.0
   44    40    42    46   1.25400 -1.0 2.0
   44    40    42    46  -0.40250  1.0 3.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    55   0.00000  1.0 1.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    52   2.45000 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    55   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   40    46    42    43  10.50000 -1.0 2.0
   47    42    46    50   1.00000 -1.0 2.0
   50    62    56    57  10.50000 -1.0 2.0
   63    56    62    64   1.00000 -1.0 2.0
   45    48    44    40   1.00000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
END
