* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    133    207     386
    1     0 S   NP   _N1_     1    30.17583    88.69388   -23.80256
    2     1 S   H    _HN1     2     1.02846    21.39459    51.43060
    3     1 S   H    _H1_     3     1.02789    87.42673  -110.87554
    4     1 S   H    _H2_     4     1.02952   121.37214    -0.89241
    5     1 S   CT   _CA1     5     1.50147   114.44251   135.91465
    6     5 S   HC   _HA1     6     1.09555   105.37330    36.51894
    7     5 S   CO3  _C1_     7     1.53907   112.08495   -84.02364
    8     7 S   O2Z  _O11     8     1.26391   115.06741   -48.63196
    9     7 S   O2Z  _O12     9     1.26211   114.92225   130.46943
   10     5 S   CT   _CB1    10     1.53003   107.37815   154.61709
   11    10 S   HC   HB11    11     1.09819   109.86074   -48.87814
   12    10 S   HC   HB12    12     1.09611   109.91125    67.55422
   13    10 S   CT   _CG1    13     1.53026   112.85735  -170.11069
   14    13 S   HC   HG11    14     1.09585   110.58660   -55.07190
   15    13 S   HC   HG12    15     1.09604   110.10107    64.30848
   16    13 S   C    _CD1    16     1.51717   111.90775  -174.91758
   17    16 S   O    _OE1    17     1.22768   123.26169    -3.64562
   18    16 S   N    _N2_    18     1.38619   112.01956   175.96629
   19    18 S   H    _HN2    19     1.01577   119.18318     6.36886
   20    18 S   CT1  _CA2    20     1.46081   123.03818  -173.42261
   21    20 S   HC   _HA2    21     1.09622   108.53493    13.04246
   22    20 S   C    _C2_    22     1.53592   110.69354  -102.62378
   23    22 S   O    _O2_    23     1.23136   121.77636  -153.39405
   24    20 S   CT   _CB2    32     1.53755   111.84448   134.14557
   25    24 S   HC   HB21    33     1.09670   109.35630    73.81501
   26    24 S   HC   HB22    34     1.09582   110.72317  -169.22243
   27    22 S   N    _N3_    24     1.38150   114.32017    34.05807
   28    27 S   H    _HN3    25     1.01525   119.79657    -3.73434
   29    24 S   S    _SG2    35     1.82876   115.22547   -45.19450
   30    27 S   CT   _CA3    26     1.45304   123.12806   176.82923
   31    30 S   HC   HA31    27     1.09555   107.59346   -62.00401
   32    30 S   HC   HA32    28     1.09557   107.88589    54.41328
   33    29 S   CT   _C17    36     1.82813   100.86177   -68.01732
   34    33 S   HC   _H17    37     1.09403   107.79964   -86.75058
   35    33 S   HC   _H18    38     1.09216   109.64998    32.01252
   36    30 S   CO3  _C3_    29     1.52945   114.11730   176.32512
   37    36 S   O2Z  _O31    30     1.26370   116.06808    -1.22605
   38    36 S   O2Z  _O32    31     1.26426   114.40907   178.82314
   39    33 S   CT   _C16    39     1.52801   109.24137   152.73820
   40    39 S   HC   _H6_    40     1.09850   111.21707    44.16531
   41    39 S   CT   _C15    41     1.52661   114.90031   167.93510
   42    41 S   HC   _H5_    42     1.09391   112.80469   -81.42454
   43    41 S   CT   _C14    43     1.51602   100.78649   157.51496
   44    43 S   HC   _H4_    44     1.09766   109.00682    77.92527
   45    41 S   OH   _O34    71     1.42215   111.09200    39.83519
   46    45 S   HO   _H19    72     0.97335   107.27620   167.80162
   47    43 S   CO   _C13    45     1.52632   103.14545   -37.03989
   48    47 S   HC   _H3_    46     1.09492   110.76372   141.41258
   49    43 S   OH   _O35    69     1.41235   113.57310  -161.22462
   50    49 S   HO   _H20    70     0.97276   107.64478   -63.94429
   51    47 S   N*   _N4_    47     1.46715   114.34713   -96.00889
   52    39 S   OS   _O33    68     1.44657   109.48281   -73.80201
   53    51 S   C5X  _C12    48     1.34302   125.60350    87.66915
   54    53 S   HA   _H15    49     1.07745   126.37722    -0.80963
   55    53 S   N5P  _N5_    50     1.33520   108.72961   178.46558
   56    55 S   H    _H16    51     1.01593   124.51659  -179.29779
   57    55 S   C56X _C7_    52     1.37405   110.09082    -0.25793
   58    57 S   CA   _C6_    53     1.38757   130.75588  -179.19206
   59    58 S   HA   _H10    54     1.08293   120.73807    -0.36208
   60    58 S   CA   _C5_    55     1.40844   116.29851   179.49565
   61    60 S   CA   _C10    56     1.42746   121.04707     0.23985
   62    60 S   CT   _C4_    64     1.50741   118.26831  -179.85196
   63    62 S   HC   _H7_    65     1.09450   110.32495   119.75075
   64    62 S   HC   _H8_    66     1.09447   110.31855  -118.95443
   65    62 S   HC   _H9_    67     1.09532   111.51409     0.42058
   66    61 S   CA   _C9_    57     1.40988   121.22804    -0.05935
   67    66 S   HA   _H11    58     1.08300   122.46190  -179.78602
   68    61 S   CT   _C11    60     1.50780   120.63500  -179.90109
   69    68 S   HC   _H12    61     1.09447   110.33802   -60.21072
   70    68 S   HC   _H13    62     1.09450   110.28476    61.08036
   71    68 S   HC   _H14    63     1.09532   111.53714  -179.56210
   72    51 S   C56X _C8_    59     1.39872   125.94521   -94.08686
  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  11   7  11   7   4   1  11   5
   3   1  11   2   7   4   7   3   8  10   4  12  11   5   2   1
   1   6   2   4   2   1   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    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    72    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    57    66    72    52    49    50  
   51    53    72    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    61    66    67    72    52  
   53    72  
   54    55    56    57    58    66    72  
   55    56    57    72  
   56    57    58    59    60    66    72  
   57    58    72  
   58    59    60    61    66    67    72    62  
   59    60    61    66    72    68    62    63    64    65  
   60    61    72    62  
   61    66    67    72    68    69    70    71    62    63    64    65  
   66    67    72    68    69    70    71    62    63    64    65  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    0  
    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   0.198571   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.058571   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.233571   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.088571   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2800   0.1700  -0.528900   1.9750   1.7500   0.001000000  -0.511443539
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.276271   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.250671   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.431900   1.8650   1.6500   0.001000000  -0.511443539
   56   0.0000   0.0000   0.425500   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700   0.294171   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.285029   2.5000   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.259771   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.001871   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.001871   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.285029   2.5000   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.259771   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.294171   2.5000   1.7750   0.001000000  -0.843144165
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    52   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   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   450.000  1.366
   51    72   470.000  1.355
   53    54   367.000  1.080
   53    55   455.000  1.369
   55    56   505.000  1.012
   55    57   410.000  1.391
   57    58   460.000  1.382
   57    72   435.000  1.392
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    62   317.000  1.510
   61    66   469.000  1.400
   61    68   317.000  1.510
   66    67   367.000  1.080
   66    72   460.000  1.382
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   553.000  0.945
   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    52    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    52    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    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    60.00000  126.76000
   47    51    72    70.00000  121.06000
   51    47    48    55.00000  103.44000
   51    53    54    40.00000  121.58000
   51    53    55    70.00000  128.93800
   51    72    57    70.00000  118.32000
   51    72    66    60.00000  128.22000
   53    55    56    40.00000  124.45100
   53    55    57    85.00000  110.59000
   55    53    54    40.00000  122.05800
   55    57    58    60.00000  132.05700
   55    57    72    90.00000  105.03200
   57    55    56    40.00000  126.70600
   57    58    59    40.00000  120.83000
   57    58    60    70.00000  113.87400
   57    72    66    65.00000  122.83500
   58    60    61    63.00000  120.00000
   58    60    62    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    66    63.00000  120.00000
   60    61    68    70.00000  120.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    67    35.00000  120.00000
   61    66    72    70.00000  113.87400
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   72    51    53    70.00000  114.00000
   72    57    58    65.00000  122.83500
   72    66    67    40.00000  120.83000
   68    61    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    60    61    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   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    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   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    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    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    52   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    52   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   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  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    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.64600  1.0 1.0
   41    43    47    51   0.58400 -1.0 2.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  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   0.23400  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    51    53   1.10250  1.0 1.0
   43    47    51    53   0.01650 -1.0 2.0
   43    47    51    53   0.39100  1.0 3.0
   43    47    51    72   1.10250  1.0 1.0
   43    47    51    72   0.01650 -1.0 2.0
   43    47    51    72   0.39100  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    72    57   0.81400  1.0 1.0
   47    51    72    57   1.55550 -1.0 2.0
   47    51    72    66   0.81400  1.0 1.0
   47    51    72    66   1.55550 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    72   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53    55    56   2.00000 -1.0 2.0
   51    53   -55    57   3.62500 -1.0 2.0
   53    51   -72    57   0.70250  1.0 1.0
   53    51   -72    57   1.56150 -1.0 2.0
   53    51    72    66   0.70250  1.0 1.0
   53    51    72    66   1.56150 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    72   3.62500 -1.0 2.0
   54    53    55    56   1.60000 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    60   3.62500 -1.0 2.0
   55    57   -72    51   3.62500 -1.0 2.0
   55    57    72    66   3.62500 -1.0 2.0
   56    55    57    58   2.00000 -1.0 2.0
   56    55    57    72   2.00000 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    62   3.62500 -1.0 2.0
   58    57    72    51   3.62500 -1.0 2.0
   58    57    72    66   3.62500 -1.0 2.0
   58    60   -61    66   3.62500 -1.0 2.0
   58    60    61    68   3.62500 -1.0 2.0
   58    60    62    63   0.00000  1.0 1.0
   58    60    62    64   0.00000  1.0 1.0
   58    60    62    65   0.00000  1.0 1.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    61    66    67   3.62500 -1.0 2.0
   60    61    66    72   3.62500 -1.0 2.0
   60    61    68    69   0.00000  1.0 1.0
   60    61    68    70   0.00000  1.0 1.0
   60    61    68    71   0.00000  1.0 1.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.00000  1.0 1.0
   61    66    72    51   3.62500 -1.0 2.0
   61    66   -72    57   3.62500 -1.0 2.0
   66    61    68    69   0.00000  1.0 1.0
   66    61    68    70   0.00000  1.0 1.0
   66    61    68    71   0.00000  1.0 1.0
   67    66    72    51   3.62500 -1.0 2.0
   67    66    72    57   3.62500 -1.0 2.0
   72    51    53    54   3.62500 -1.0 2.0
   72    51   -53    55   3.62500 -1.0 2.0
   72    57    58    59   3.62500 -1.0 2.0
   72    57   -58    60   3.62500 -1.0 2.0
   68    61    66    67   3.62500 -1.0 2.0
   68    61    66    72   3.62500 -1.0 2.0
   62    60    61    66   3.62500 -1.0 2.0
   62    60    61    68   3.62500 -1.0 2.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.10350  1.0 1.0
   52    47    51    53  -0.15350 -1.0 2.0
   52    47    51    72   0.10350  1.0 1.0
   52    47    51    72  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -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   3.75450  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
   53    72    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   56    53    55    57   1.00000 -1.0 2.0
   58    72    57    55   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   61    62    60    58   4.00000 -1.0 2.0
   66    68    61    60   4.00000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   57    66    72    51   4.00000 -1.0 2.0
END
