* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    122    185     357
    1     0 S   NP   _N1_     1    28.73445    93.79354   -21.55714
    2     1 S   H    _HN1     2     1.02778    91.78786   -84.72469
    3     1 S   H    _H1_     3     1.02959    93.67801    23.77262
    4     1 S   H    _H2_     4     1.02837    26.23688   146.08760
    5     1 S   CT   _CA1     5     1.50135   136.95331   149.25643
    6     5 S   HC   _HA1     6     1.09570   105.23829    57.74800
    7     5 S   CO3  _C1_     7     1.53833   112.27884   -62.49598
    8     7 S   O2Z  _O11     8     1.26375   115.01110   -44.59055
    9     7 S   O2Z  _O12     9     1.26221   114.95493   134.48752
   10     5 S   CT   _CB1    10     1.53099   107.40860   175.70358
   11    10 S   HC   HB11    11     1.09821   109.48203   -49.58681
   12    10 S   HC   HB12    12     1.09823   110.35573    67.02206
   13    10 S   CT   _CG1    13     1.53001   112.63778  -170.65164
   14    13 S   HC   HG11    14     1.09519   110.30971   -61.29527
   15    13 S   HC   HG12    15     1.09636   110.07009    57.84454
   16    13 S   C    _CD1    16     1.51833   112.26194   178.22337
   17    16 S   O    _OE1    17     1.22734   123.20905    -5.49865
   18    16 S   N    _N2_    18     1.38620   111.73392   174.72541
   19    18 S   H    _HN2    19     1.01619   118.95353     0.97358
   20    18 S   CT1  _CA2    20     1.46319   123.40818  -178.07593
   21    20 S   HC   _HA2    21     1.09727   109.42316    -8.54378
   22    20 S   C    _C2_    22     1.53381   108.56458  -124.40341
   23    22 S   O    _O2_    23     1.23027   122.14752  -146.13791
   24    20 S   CT   _CB2    32     1.53508   111.17835   113.38767
   25    24 S   HC   HB21    33     1.09299   109.15207    57.93886
   26    24 S   HC   HB22    34     1.09507   110.73741   176.21638
   27    22 S   N    _N3_    24     1.38476   113.45038    41.23217
   28    27 S   H    _HN3    25     1.01521   118.91513    -0.69661
   29    24 S   S    _SG2    35     1.82696   111.21854   -64.29120
   30    27 S   CT   _CA3    26     1.45453   123.48384   175.12637
   31    30 S   HC   HA31    27     1.09521   109.26861    23.69853
   32    30 S   HC   HA32    28     1.09496   107.11124   140.70591
   33    29 S   CT   _C12    36     1.84003   100.79983   156.46232
   34    33 S   HC   _H3_    37     1.09673   105.95401    54.45468
   35    30 S   CO3  _C3_    29     1.52925   113.10558   -99.80350
   36    35 S   O2Z  _O31    30     1.26403   115.40483   -44.44931
   37    35 S   O2Z  _O32    31     1.26356   114.98477   136.48271
   38    33 S   CT   _C9_    38     1.53876   114.29160   -66.69888
   39    38 S   HC   _H22    39     1.09767   108.81050    69.70780
   40    33 S   OS   _O13    52     1.43003   108.64718   170.08619
   41    38 S   CT   _C10    40     1.53660   112.84459  -171.53204
   42    41 S   HC   _H23    41     1.10220   108.77955   156.21074
   43    38 S   CO4  _C6_    60     1.52364   113.06110   -46.10112
   44    43 S   O    _O33    61     1.22603   122.76522   116.65827
   45    41 S   CT   _C7_    42     1.53871   113.12477   -85.43583
   46    45 S   HC   _H19    43     1.09487   113.09588    36.75340
   47    45 S   HC   _H20    44     1.09430   110.79052   -85.94891
   48    43 S   OS   _O16    62     1.36097   111.60288   -63.07371
   49    45 S   CM   _C4_    45     1.49246   101.97171   155.19406
   50    49 S   HC   _H18    46     1.08085   123.49231   163.11461
   51    48 S   CT   _C13    63     1.43060   115.21805   177.76673
   52    51 S   HC   _H26    64     1.09318   108.11090   178.35849
   53    51 S   HC   _H27    65     1.09421   110.48513    59.53481
   54    51 S   HC   _H28    66     1.09400   110.00435   -63.09270
   55    49 S   CM   _C5_    47     1.34028   111.64976   -17.90479
   56    41 S   CT   _C8_    48     1.54341   115.36933    35.02655
   57    56 S   HC   _H21    49     1.09695   109.04479    89.34224
   58    55 S   CT   _C14    55     1.48847   126.25489  -179.49487
   59    58 S   HC   _H29    56     1.09396   110.72002   118.08425
   60    58 S   HC   _H30    57     1.09498   111.38268    -2.43470
   61    56 S   CO   _C11    50     1.53373   113.32275   -33.96872
   62    61 S   HC   _H24    51     1.09771   111.81379   -75.21629
   63    58 S   OH   _O15    58     1.42007   109.23218  -121.96341
   64    63 S   HO   _H32    59     0.97214   107.00965  -178.04505
   65    61 S   OH   _O14    53     1.42568   108.39395   166.37099
   66    65 S   HO   _H31    54     0.97183   106.66385   161.10575
  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   8   5   4   3
  14   6   2   1   1  16   8   9  16   9   8   2   9   5   4   4
   9   3   3   2   1   1  10   9   4   5   3   2   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    56    61    62    40    65    43    44    48  
   38    39    41    61    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    55    56    57    61    40    43    44    48    51  
   41    42    45    56    40    43    44    48  
   65    66    43    41    55    56    57    61    62  
   42    45    46    47    49    50    55    56    57    61    62    65    58    43    44    48  
   45    46    47    49    55    56    57    61    43  
   44    48    51    52    53    54    45    56  
   48    51  
   46    47    49    50    55    56    57    61    58  
   47    49    50    55    56  
   49    50    55    56  
   51    52    53    54  
   50    55    56    57    61    58    59    60    63  
   55    56    58  
   52    53    54  
   53    54  
   54  
    0  
   56    57    61    62    65    58    59    60    63    64  
   57    61    62    65    66    58    59    60    63  
   61    62    65    58  
   59    60    63    64    61  
   60    63    64  
   63    64  
   62    65    66  
   65    66  
   64  
    0  
   66  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   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    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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    56   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    61   250.000  1.527
   61    62   340.000  1.090
   61    40   320.000  1.380
   61    65   380.000  1.407
   65    66   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    64   553.000  0.945
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    61    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    56    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    70.00000  112.02700
   41    56    55    70.00000  112.02700
   41    56    57    37.50000  110.70000
   41    56    61    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    35.00000  117.00000
   45    49    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    55    56    70.00000  124.00000
   49    55    58    70.00000  124.00000
   55    49    50    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    90.00000  110.39200
   56    41    42    37.50000  110.70000
   56    41    45    58.35000  112.70000
   56    61    62    45.00000  112.01100
   56    61    40    90.00000  108.56700
   56    61    65    90.00000  110.19100
   61    56    57    45.00000  108.72000
   61    65    66    70.00000  107.92000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    61    62    35.00000  109.50000
   65    61    62    60.00000  108.02500
   65    61    40   110.00000  112.08000
   58    55    56    65.00000  117.92700
   58    63    64    55.00000  108.50000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    51    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    61   0.14700  1.0 1.0
   29    33    40    61  -1.16150 -1.0 2.0
   29    33    40    61   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    56   0.56750  1.0 1.0
   33    38    41    56  -0.07550 -1.0 2.0
   33    38    41    56   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    61   0.37050  1.0 3.0
   38    33    40    61   0.06250  1.0 1.0
   38    33    40    61  -0.01100 -1.0 2.0
   38    33    40    61   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    49   0.34400  1.0 1.0
   38    41    45    49   0.09450 -1.0 2.0
   38    41    45    49   0.11100  1.0 3.0
   38    41    56    55   0.34400  1.0 1.0
   38    41    56    55   0.09450 -1.0 2.0
   38    41    56    55   0.11100  1.0 3.0
   38    41    56    57   0.15000  1.0 3.0
   38    41   -56    61   3.97050  1.0 1.0
   38    43    48    51   1.63150  1.0 1.0
   38    43    48    51   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    56   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.36750  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45   -49    55   0.09850  1.0 1.0
   41    45   -49    55   0.15250 -1.0 2.0
   41    45   -49    55  -0.50650  1.0 3.0
   41    56    61    62   0.15000  1.0 3.0
   41    56    61    40   0.62750  1.0 1.0
   41    56    61    40  -0.30950 -1.0 2.0
   41    56    61    40   0.27300  1.0 3.0
   41    56    61    65   0.86500  1.0 1.0
   41    56    61    65  -0.17500 -1.0 2.0
   41    56    61    65   0.20800  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    56    55   0.15000  1.0 3.0
   42    41    56    57   0.15000  1.0 3.0
   42    41    56    61   0.15000  1.0 3.0
   45    41   -56    55   0.34400  1.0 1.0
   45    41   -56    55   0.09450 -1.0 2.0
   45    41   -56    55   0.11100  1.0 3.0
   45    41    56    57   0.15000  1.0 3.0
   45    41    56    61   3.97050  1.0 1.0
   45    49   -55    56   7.00000 -1.0 2.0
   45    49    55    58   7.00000 -1.0 2.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    55   0.00000  1.0 1.0
   47    45    49    50   0.33100  1.0 3.0
   47    45    49    55   0.00000  1.0 1.0
   49    55   -56    41   0.09850  1.0 1.0
   49    55   -56    41   0.15250 -1.0 2.0
   49    55   -56    41  -0.50650  1.0 3.0
   49    55    56    57   0.00000  1.0 1.0
   49    55    56    61   0.09850  1.0 1.0
   49    55    56    61   0.15250 -1.0 2.0
   49    55    56    61  -0.50650  1.0 3.0
   49    55    58    59   0.00000  1.0 1.0
   49    55    58    60   0.00000  1.0 1.0
   49    55    58    63   0.67800  1.0 1.0
   49    55    58    63   0.47050 -1.0 2.0
   49    55    58    63  -0.62500  1.0 3.0
   50    49    55    56   7.00000 -1.0 2.0
   50    49    55    58   7.00000 -1.0 2.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    40   0.61850  1.0 1.0
   55    56    61    40  -0.22750 -1.0 2.0
   55    56    61    40   0.15300  1.0 3.0
   55    56    61    65   1.05650  1.0 1.0
   55    56    61    65   0.15600 -1.0 2.0
   55    56    61    65   0.53150  1.0 3.0
   55    58    63    64  -0.07800  1.0 1.0
   55    58    63    64  -0.21500 -1.0 2.0
   55    58    63    64  -0.03150  1.0 3.0
   56    41    45    46   0.15000  1.0 3.0
   56    41    45    47   0.15000  1.0 3.0
   56    41   -45    49   0.34400  1.0 1.0
   56    41   -45    49   0.09450 -1.0 2.0
   56    41   -45    49   0.11100  1.0 3.0
   56    55    58    59   0.34800  1.0 3.0
   56    55    58    60   0.34800  1.0 3.0
   56    55    58    63   0.18000  1.0 1.0
   56    55    58    63   0.16450 -1.0 2.0
   56    55    58    63   0.04450  1.0 3.0
   56    61   -40    33   0.06250  1.0 1.0
   56    61   -40    33  -0.01100 -1.0 2.0
   56    61   -40    33   0.28050  1.0 3.0
   56    61    65    66  -0.11600  1.0 1.0
   56    61    65    66  -0.09450 -1.0 2.0
   56    61    65    66   0.21250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    40   0.23400  1.0 3.0
   57    56    61    65   0.23400  1.0 3.0
   62    61    40    33   0.37050  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    61    65    66  -0.50000  1.0 1.0
   40    61    65    66  -0.73950 -1.0 2.0
   40    61    65    66   0.17150  1.0 3.0
   65    61    40    33  -0.81800  1.0 1.0
   58    55    56    41   0.46850  1.0 1.0
   58    55    56    41   0.08550 -1.0 2.0
   58    55    56    41   0.09800  1.0 3.0
   58    55    56    57   0.34800  1.0 3.0
   58    55    56    61   0.46850  1.0 1.0
   58    55    56    61   0.08550 -1.0 2.0
   58    55    56    61   0.09800  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64   0.19450  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    56  -0.95700  1.0 1.0
   43    38    41    56  -0.18200 -1.0 2.0
   43    38    41    56   0.29450  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54   0.08050  1.0 3.0
   44    43    48    51   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   45    50    49    55   1.10000 -1.0 2.0
   56    58    55    49   1.10000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
