* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    124    191     363
    1     0 S   NP   _N1_     1    28.88058    95.69073   -20.40696
    2     1 S   H    _HN1     2     1.02963    85.50674    31.20125
    3     1 S   H    _H1_     3     1.02836    38.76627   155.67192
    4     1 S   H    _H2_     4     1.02777    85.23716   -77.68637
    5     1 S   CT   _CA1     5     1.50146   149.49403   154.82945
    6     5 S   HC   _HA1     6     1.09573   105.19479    59.62815
    7     5 S   CO3  _C1_     7     1.53762   112.49442   -60.49191
    8     7 S   O2Z  _O11     8     1.26355   114.98460   -39.79576
    9     7 S   O2Z  _O12     9     1.26242   114.95755   139.41155
   10     5 S   CT   _CB1    10     1.53100   107.41059   177.56667
   11    10 S   HC   HB11    11     1.09820   109.24054   -50.21156
   12    10 S   HC   HB12    12     1.09823   110.41832    66.33073
   13    10 S   CT   _CG1    13     1.53004   112.76294  -171.35703
   14    13 S   HC   HG11    14     1.09580   110.39494   -65.34515
   15    13 S   HC   HG12    15     1.09652   110.02767    53.87550
   16    13 S   C    _CD1    16     1.51828   112.36554   174.09532
   17    16 S   O    _OE1    17     1.22715   123.27778    -3.81280
   18    16 S   N    _N2_    18     1.38621   111.61523   176.55991
   19    18 S   H    _HN2    19     1.01593   118.96357     0.67580
   20    18 S   CT1  _CA2    20     1.46275   123.45368  -179.73830
   21    20 S   HC   _HA2    21     1.09734   109.37616   -13.26468
   22    20 S   C    _C2_    22     1.53432   108.25543  -128.90937
   23    22 S   O    _O2_    23     1.23007   122.23531  -145.79933
   24    20 S   CT   _CB2    32     1.53412   111.34571   108.93289
   25    24 S   HC   HB21    33     1.09574   109.59899    54.35186
   26    24 S   HC   HB22    34     1.09480   110.61497   173.17918
   27    22 S   N    _N3_    24     1.38502   113.33926    41.52870
   28    27 S   H    _HN3    25     1.01532   118.91131    -0.76053
   29    24 S   S    _SG2    35     1.82779   111.56196   -67.29094
   30    27 S   CT   _CA3    26     1.45468   123.58913   175.14054
   31    30 S   HC   HA31    27     1.09511   109.40512    20.72110
   32    30 S   HC   HA32    28     1.09499   107.07248   137.76256
   33    29 S   CT   _C6_    36     1.84745    99.90904   152.19038
   34    33 S   HC   _H4_    37     1.09398   107.49197   -44.52000
   35    30 S   CO3  _C3_    29     1.52923   113.03025  -102.87002
   36    35 S   O2Z  _O31    30     1.26409   115.38316   -44.35132
   37    35 S   O2Z  _O32    31     1.26351   114.99167   136.55010
   38    33 S   CA   _C7_    38     1.52202   109.03321  -162.98331
   39    38 S   CA   _C12    39     1.41140   119.39283   -88.87379
   40    39 S   CA   _C11    40     1.41625   121.10538  -177.94977
   41    39 S   CO4  _C13    59     1.48515   117.47065     4.68345
   42    41 S   O    _O33    60     1.22121   123.50171   149.78568
   43    40 S   CA   _C10    41     1.41830   122.35980    -0.30132
   44    43 S   OM   _O36    42     1.27912   125.13816   176.83282
   45    40 S   CO4  _C15    56     1.49057   118.50089   175.94426
   46    45 S   O    _O35    57     1.22393   123.45942   136.18829
   47    45 S   HC   _H9_    58     1.10320   115.70429   -42.46573
   48    41 S   CO4  _C14    61     1.50578   119.00917   -29.05117
   49    48 S   O    _O34    62     1.22343   118.72809  -166.03672
   50    43 S   CA   _C9_    43     1.41422   114.19057    -1.95995
   51    50 S   HA   _H8_    44     1.09293   116.80138   179.87489
   52    33 S   CT   _C5_    63     1.53906   111.82055    71.85754
   53    52 S   HC   _H3_    64     1.09697   109.61559   -47.11122
   54    38 S   CA   _C8_    45     1.41099   122.07319    89.56726
   55    52 S   CT   _C4_    65     1.53104   112.24312  -166.10563
   56    55 S   HC   _H5_    66     1.09508   112.18154   -63.09807
   57    55 S   HC   _H6_    67     1.09582   110.56119   177.44488
   58    55 S   HC   _H7_    68     1.09494   110.80195    57.95257
   59    54 S   CT   _C16    46     1.52806   122.94152    -1.16315
   60    59 S   HC   _H10    47     1.09347   109.77933   -18.88831
   61    59 S   CT   _C17    48     1.53481   113.69254  -135.18719
   62    61 S   HC   _H11    49     1.09448   112.61421   -68.68893
   63    61 S   HC   _H12    50     1.09561   110.09912   171.94836
   64    61 S   HC   _H13    51     1.09561   110.96421    52.73065
   65    59 S   CT   _C18    52     1.53022   110.41447    99.71134
   66    65 S   HC   _H14    53     1.09569   111.67395    63.38838
   67    65 S   HC   _H15    54     1.09573   111.04232   -56.81332
   68    65 S   HC   _H16    55     1.09531   110.69108  -176.47769
  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   9   5   4   3
  16   7   2   1   1  17  14  11   9   3   8   4   3   1   1   7
   3   6   2   6   4  10   3   2   1   1   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    54    48    52    53    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    50    54    59    41    48    49    52    53    55    56    57    58  
   38    39    54    48    52    53    55  
   36    37  
   37  
    0  
   39    40    43    50    51    54    59    60    61    65    45    41    42    48    52    53    55  
   40    43    44    50    54    59    45    46    47    41    42    48    49    52  
   43    44    50    51    54    45    46    47    41    42    48  
   42    48    49    52    53    55    43    45    54  
   48    49    52  
   44    50    51    54    59    45    46    47  
   50    51    54    45  
   46    47    50  
   47  
    0  
   49    52    53    55    56    57    58  
   52    53    55  
   51    54    59    60    61    65  
   54    59  
   53    55    56    57    58    54  
   55    56    57    58  
   59    60    61    62    63    64    65    66    67    68  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    52   268.000  1.529
   38    39   469.000  1.400
   38    54   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    45   310.000  1.470
   43    44   450.000  1.364
   43    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   570.000  1.229
   45    47   340.000  1.090
   41    42   570.000  1.229
   41    48   250.000  1.523
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    80.00000  109.48900
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    52    48    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    54    50    63.00000  120.00000
   38    54    59    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    45    60.00000  119.52600
   39    41    42    75.00000  123.78400
   39    41    48    60.00000  117.28700
   40    43    44    70.00000  120.00000
   40    43    50    63.00000  120.00000
   40    45    46    75.00000  123.78400
   40    45    47    35.00000  115.00000
   43    50    51    35.00000  120.00000
   43    50    54    63.00000  120.00000
   50    43    44    70.00000  120.00000
   50    54    59    70.00000  120.00000
   54    38    39    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    70.00000  112.17500
   54    59    65    70.00000  112.17500
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   61    59    60    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    40    43    60.00000  119.52600
   47    45    46    35.00000  123.00000
   41    39    40    60.00000  119.52600
   41    48    49    80.00000  119.30300
   41    48    52    65.00000  115.45000
   48    41    42    80.00000  119.30300
   48    52    53    35.00000  109.50000
   48    52    55    63.00000  111.10000
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.17500
   52    48    49    80.00000  120.40000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   55    52    53    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.01700  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.44750  1.0 1.0
   29    33    52    55  -0.17800 -1.0 2.0
   29    33    52    55   0.20200  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    54    50   3.62500 -1.0 2.0
   33    38    54    59   3.62500 -1.0 2.0
   33    52    55    56   0.15000  1.0 3.0
   33    52    55    57   0.15000  1.0 3.0
   33    52    55    58   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    52    48  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.15000  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.43200  1.0 3.0
   38    33    52    55  -0.03700  1.0 1.0
   38    33    52    55   0.37200 -1.0 2.0
   38    33    52    55  -0.47300  1.0 3.0
   38    39    40    43   3.62500 -1.0 2.0
   38    39    40    45   3.62500 -1.0 2.0
   38    39    41    42   1.05000 -1.0 2.0
   38    39   -41    48   0.56600 -1.0 2.0
   38    54    59    60   0.00000  1.0 1.0
   38    54    59    61   0.04150 -1.0 2.0
   38    54    59    65   0.04150 -1.0 2.0
   39    38    54    50   3.62500 -1.0 2.0
   39    38    54    59   3.62500 -1.0 2.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40   -43    50   3.62500 -1.0 2.0
   39    40    45    46   1.05000 -1.0 2.0
   39    40    45    47   0.56600 -1.0 2.0
   39    41    48    49   0.03000  1.0 1.0
   39    41    48    49   0.58800 -1.0 2.0
   39    41    48    49   0.15550  1.0 3.0
   39    41    48    52   0.43900  1.0 1.0
   39    41    48    52  -0.18150 -1.0 2.0
   39    41    48    52  -0.03650  1.0 3.0
   40    39    41    42   1.05000 -1.0 2.0
   40    39    41    48   0.56600 -1.0 2.0
   40    43    50    51   3.62500 -1.0 2.0
   40    43    50    54   3.62500 -1.0 2.0
   43    40    45    46   1.05000 -1.0 2.0
   43    40    45    47   0.56600 -1.0 2.0
   43    50   -54    38   3.62500 -1.0 2.0
   43    50    54    59   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    43    50    54   3.62500 -1.0 2.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.04150 -1.0 2.0
   50    54    59    65   0.04150 -1.0 2.0
   51    50    54    38   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   54    38   -39    40   3.62500 -1.0 2.0
   54    38    39    41   3.62500 -1.0 2.0
   54    59    61    62   0.43200  1.0 3.0
   54    59    61    63   0.43200  1.0 3.0
   54    59    61    64   0.43200  1.0 3.0
   54    59    65    66   0.43200  1.0 3.0
   54    59    65    67   0.43200  1.0 3.0
   54    59    65    68   0.43200  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  1.0 3.0
   45    40    43    44   3.62500 -1.0 2.0
   45    40    43    50   3.62500 -1.0 2.0
   41    39    40    43   3.62500 -1.0 2.0
   41    39    40    45   3.62500 -1.0 2.0
   41    48   -52    33   0.65300  1.0 1.0
   41    48   -52    33  -0.03850 -1.0 2.0
   41    48   -52    33   0.33900  1.0 3.0
   41    48    52    53   0.00000  1.0 1.0
   41    48    52    55   0.65300  1.0 1.0
   41    48    52    55  -0.03850 -1.0 2.0
   41    48    52    55   0.33900  1.0 3.0
   42    41    48    49   0.06100 -1.0 2.0
   42    41    48    52   0.49600 -1.0 2.0
   48    52    55    56  -0.11250  1.0 3.0
   48    52    55    57  -0.11250  1.0 3.0
   48    52    55    58  -0.11250  1.0 3.0
   49    48    52    33   0.30150 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    55   0.30150 -1.0 2.0
   52    33   -38    39   0.04150 -1.0 2.0
   52    33    38    54   0.04150 -1.0 2.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    54    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    45    40    39   4.00000 -1.0 2.0
   50    44    43    40   4.00000 -1.0 2.0
   54    51    50    43   1.10000 -1.0 2.0
   50    59    54    38   4.00000 -1.0 2.0
   40    47    45    46  10.50000 -1.0 2.0
   39    48    41    42  10.50000 -1.0 2.0
   41    52    48    49  10.50000 -1.0 2.0
END
