* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    123    191     357
    1     0 S   NP   _N1_     1    28.85041    94.59663   -20.07755
    2     1 S   H    _HN1     2     1.02956    93.92652    38.33059
    3     1 S   H    _H1_     3     1.02837    31.95536   154.96649
    4     1 S   H    _H2_     4     1.02778    85.38370   -69.69415
    5     1 S   CT   _CA1     5     1.50123   142.08488   169.51234
    6     5 S   HC   _HA1     6     1.09596   105.19791    51.15858
    7     5 S   CO3  _C1_     7     1.53757   112.07067   -68.71601
    8     7 S   O2Z  _O11     8     1.26334   115.03152   -53.00264
    9     7 S   O2Z  _O12     9     1.26247   114.79567   125.79380
   10     5 S   CT   _CB1    10     1.53080   107.34997   168.59020
   11    10 S   HC   HB11    11     1.09818   109.07413   -53.39191
   12    10 S   HC   HB12    12     1.09816   110.59277    63.05520
   13    10 S   CT   _CG1    13     1.52988   112.66442  -174.63173
   14    13 S   HC   HG11    14     1.09577   110.19599   -65.21700
   15    13 S   HC   HG12    15     1.09644   110.14192    53.89433
   16    13 S   C    _CD1    16     1.51870   112.25640   173.93088
   17    16 S   O    _OE1    17     1.22735   123.20221    -9.14252
   18    16 S   N    _N2_    18     1.38599   111.73842   171.79106
   19    18 S   H    _HN2    19     1.01573   118.91445     0.26980
   20    18 S   CT1  _CA2    20     1.46312   123.46491   179.88986
   21    20 S   HC   _HA2    21     1.09733   109.30261   -16.88383
   22    20 S   C    _C2_    22     1.53435   108.02059  -132.47753
   23    22 S   O    _O2_    23     1.23003   122.31237  -145.22994
   24    20 S   CT   _CB2    32     1.53443   111.58439   105.46628
   25    24 S   HC   HB21    33     1.09594   109.62201    53.30719
   26    24 S   HC   HB22    34     1.09502   110.76601   172.25205
   27    22 S   N    _N3_    24     1.38528   113.30222    42.01985
   28    27 S   H    _HN3    25     1.01535   118.91490    -0.42151
   29    24 S   S    _SG2    35     1.82574   111.93725   -68.00835
   30    27 S   CT   _CA3    26     1.45442   123.43732   175.23757
   31    30 S   HC   HA31    27     1.09523   109.22969    24.52612
   32    30 S   HC   HA32    28     1.09495   107.12379   141.53275
   33    29 S   CT   _C13    36     1.82326    98.95230   164.48863
   34    33 S   HC   _H9_    37     1.09254   108.26622   -48.24743
   35    33 S   HC   _H10    38     1.09472   108.55914    69.22133
   36    30 S   CO3  _C3_    29     1.52921   113.11687   -98.94261
   37    36 S   O2Z  _O31    30     1.26401   115.40825   -44.22066
   38    36 S   O2Z  _O32    31     1.26353   114.97335   136.70751
   39    33 S   CT   _C12    39     1.53309   110.91777  -169.63005
   40    39 S   HC   _H6_    40     1.09641   110.39556   -58.25660
   41    39 S   CT   _C11    41     1.53194   111.71682   177.33663
   42    41 S   HC   _H5_    42     1.09406   114.21653    32.47830
   43    41 S   CT   _C10    43     1.51773   102.22558   -90.57676
   44    43 S   HC   _H4_    44     1.09484   111.40176    82.90649
   45    41 S   OH   _O34    66     1.42947   109.08546   153.61916
   46    45 S   HO   _H11    67     0.97365   107.55924   -65.15296
   47    43 S   CO   _C9_    45     1.52132   101.62860   -37.64435
   48    47 S   HC   _H3_    46     1.09762   111.56325   -81.59474
   49    43 S   NP   _N8_    62     1.47883   111.58879  -157.08818
   50    49 S   H    _H12    63     1.02888   111.19816   -66.65779
   51    49 S   H    _H13    64     1.02885   112.14609   173.21982
   52    49 S   H    _H14    65     1.03027   111.20872    52.26548
   53    47 S   N*   _N6_    47     1.44755   115.53506   154.99793
   54    39 S   OS   _O33    61     1.44826   109.77911    60.16433
   55    53 S   CRAB _C8_    48     1.37078   124.81137   117.04632
   56    55 S   HA   _H8_    49     1.08195   122.65771    -0.34830
   57    55 S   NNA  _N7_    50     1.31534   112.09595   179.48036
   58    57 S   C56B _C6_    51     1.37506   105.03525    -0.45800
   59    53 S   C56A _C7_    52     1.36871   128.04493   -63.65468
   60    59 S   NB   _N5_    53     1.34109   128.09810     1.09074
   61    60 S   CQ   _C4_    54     1.34612   110.93443  -179.64392
   62    61 S   HA   _H7_    55     1.08474   115.81921   179.86438
   63    61 S   NB   _N4_    56     1.35177   128.59481    -0.12511
   64    58 S   CA   _C5_    57     1.40374   131.70550  -179.44327
   65    64 S   NND  _N9_    58     1.38113   122.19164     0.73115
   66    65 S   H    _H15    59     1.01076   120.21194     4.45201
   67    65 S   H    _H16    60     1.01052   119.05247   174.23197
  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  12   6  13   7  13   9   4   1  13   5
   5   2   1   1   9   2   6   3   6   8   6   4   4   2   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    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    53    54    49    45    46  
   41    42    43    47    54    45  
   42    43    44    47    48    53    54    49    50    51    52    45    46  
   43    44    47    54    49    45    46  
   44    47    48    53    55    59    54    49    50    51    52    45    46  
   47    48    53    54    49    50    51    52    45  
   46    47    49    54  
    0  
   48    53    55    56    57    58    59    60    54    49    50    51    52  
   53    55    59    54    49  
   50    51    52    53    54  
   51    52  
   52  
    0  
   55    56    57    58    59    60    61    64    54  
   55    59  
   56    57    58    59    60    64  
   57    58    59  
   58    59    60    63    64    65  
   59    60    61    63    64    65    66    67  
   60    61    62    63    64    65  
   61    62    63    64  
   62    63    64    65  
   63    64  
   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   0.047500   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   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.6450   1.4500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   58   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   64   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.370000   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    54   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    47   250.000  1.527
   43    49   367.000  1.471
   47    48   340.000  1.090
   47    53   275.000  1.479
   47    54   320.000  1.380
   53    55   440.000  1.371
   53    59   436.000  1.374
   55    56   367.000  1.080
   55    57   529.000  1.304
   57    58   414.000  1.391
   58    59   447.000  1.419
   58    64   469.000  1.404
   59    60   461.000  1.354
   60    61   502.000  1.324
   61    62   367.000  1.080
   61    63   502.000  1.324
   63    64   483.000  1.339
   64    65   481.000  1.340
   65    66   434.000  1.010
   65    67   434.000  1.010
   49    50   434.000  1.010
   49    51   434.000  1.010
   49    52   434.000  1.010
   45    46   553.000  0.945
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    54    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    54    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    80.00000  111.20000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    53    75.00000  107.44000
   43    47    54    90.00000  108.56700
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   47    43    44    45.00000  108.72000
   47    53    55    70.00000  128.80000
   47    53    59    70.00000  125.80000
   53    47    48    55.00000  103.44000
   53    55    56    35.00000  123.05000
   53    55    57    70.00000  113.90000
   53    59    58    70.00000  106.20000
   53    59    60    70.00000  126.20000
   55    57    58    70.00000  103.80000
   57    55    56    35.00000  123.05000
   57    58    59    70.00000  110.40000
   57    58    64    70.00000  132.40000
   58    59    60    70.00000  127.70000
   58    64    63    70.00000  117.30000
   58    64    65    70.00000  123.50000
   59    53    55    70.00000  105.40000
   59    60    61    70.00000  111.00000
   60    61    62    35.00000  115.45000
   60    61    63    70.00000  129.10000
   61    63    64    70.00000  118.60000
   63    61    62    35.00000  115.45000
   63    64    65    70.00000  119.30000
   64    58    59    85.00000  116.20000
   64    65    66    35.00000  120.00000
   64    65    67    35.00000  120.00000
   67    65    66    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    53   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    80.00000  111.20000
   51    49    50    35.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  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    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   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   0.86500  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    54    47   0.06250  1.0 1.0
   33    39    54    47  -0.01100 -1.0 2.0
   33    39    54    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    54   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    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   1.36600  1.0 1.0
   39    41    43    49  -0.11450 -1.0 2.0
   39    41    43    49   0.24250  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
   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    54    47   0.37050  1.0 3.0
   41    39   -54    47   0.06250  1.0 1.0
   41    39   -54    47  -0.01100 -1.0 2.0
   41    39   -54    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53  -0.64600  1.0 1.0
   41    43    47    53   0.58400 -1.0 2.0
   41    43   -47    54   0.62750  1.0 1.0
   41    43   -47    54  -0.30950 -1.0 2.0
   41    43   -47    54   0.27300  1.0 3.0
   41    43    49    50   0.17350  1.0 3.0
   41    43    49    51   0.17350  1.0 3.0
   41    43    49    52   0.17350  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.19200  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    53    55   1.10250  1.0 1.0
   43    47    53    55   0.01650 -1.0 2.0
   43    47    53    55   0.39100  1.0 3.0
   43    47    53    59   1.10250  1.0 1.0
   43    47    53    59   0.01650 -1.0 2.0
   43    47    53    59   0.39100  1.0 3.0
   43    47   -54    39   0.06250  1.0 1.0
   43    47   -54    39  -0.01100 -1.0 2.0
   43    47   -54    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    49    50   0.13050  1.0 3.0
   44    43    49    51   0.13050  1.0 3.0
   44    43    49    52   0.13050  1.0 3.0
   47    43    49    50   0.17350  1.0 3.0
   47    43    49    51   0.17350  1.0 3.0
   47    43    49    52   0.17350  1.0 3.0
   47    53    55    56   3.62500 -1.0 2.0
   47    53    55    57   3.62500 -1.0 2.0
   47    53    59    58   0.81400  1.0 1.0
   47    53    59    58   1.55550 -1.0 2.0
   47    53    59    60   3.62500 -1.0 2.0
   48    47    53    55   0.00000  1.0 1.0
   48    47    53    59   0.00000  1.0 1.0
   48    47    54    39   0.37050  1.0 3.0
   53    47    54    39  -2.37750  1.0 1.0
   53    47    54    39  -0.08150 -1.0 2.0
   53    47    54    39   0.59000  1.0 3.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    59    60    61   3.62500 -1.0 2.0
   55    53   -59    58   0.70250  1.0 1.0
   55    53   -59    58   1.56150 -1.0 2.0
   55    53    59    60   3.62500 -1.0 2.0
   55    57   -58    59   3.62500 -1.0 2.0
   55    57    58    64   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   57    58   -59    53   3.62500 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    58    64    63   3.62500 -1.0 2.0
   57    58    64    65   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    64    65    66   0.70000 -1.0 2.0
   58    64    65    67   0.70000 -1.0 2.0
   59    53    55    56   3.62500 -1.0 2.0
   59    53   -55    57   3.62500 -1.0 2.0
   59    58    64    63   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60   -61    63   3.62500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   61    63   -64    58   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    64    65    66   0.70000 -1.0 2.0
   63    64    65    67   0.70000 -1.0 2.0
   64    58    59    53   3.00000 -1.0 2.0
   64    58   -59    60   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   3.69350  1.0 1.0
   54    39    41    45  -1.82950 -1.0 2.0
   54    47    53    55   0.10350  1.0 1.0
   54    47    53    55  -0.15350 -1.0 2.0
   54    47    53    59   0.10350  1.0 1.0
   54    47    53    59  -0.15350 -1.0 2.0
   49    43    47    48   0.19200  1.0 3.0
   49    43    47    53   3.05550  1.0 1.0
   49    43    47    53   2.44300 -1.0 2.0
   49    43    47    53   0.51100  1.0 3.0
   49    43    47    54   1.69300  1.0 1.0
   49    43    47    54  -0.48450 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   1.69300  1.0 1.0
   45    41    43    49  -0.48450 -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
   55    59    53    47   4.00000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    64    58    57   4.00000 -1.0 2.0
   58    60    59    53   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   63    65    64    58   4.00000 -1.0 2.0
   67    64    65    66   1.00000 -1.0 2.0
END
