* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    247     466
    1     0 S   NP   _N1_     1    28.13927    95.72641   -25.37789
    2     1 S   H    _HN1     2     1.02776   113.06323  -117.37129
    3     1 S   H    _H1_     3     1.02957    86.02064    -9.12098
    4     1 S   H    _H2_     4     1.02835    21.25921   162.61435
    5     1 S   CT   _CA1     5     1.50136   122.91940   102.64883
    6     5 S   HC   _HA1     6     1.09576   105.20515    78.79445
    7     5 S   CO3  _C1_     7     1.53780   112.34737   -41.37214
    8     7 S   O2Z  _O11     8     1.26365   114.99197   -44.06910
    9     7 S   O2Z  _O12     9     1.26234   114.93013   134.96782
   10     5 S   CT   _CB1    10     1.53091   107.41560  -163.31890
   11    10 S   HC   HB11    11     1.09828   109.30744   -50.54630
   12    10 S   HC   HB12    12     1.09815   110.44237    66.00477
   13    10 S   CT   _CG1    13     1.53020   112.67606  -171.61510
   14    13 S   HC   HG11    14     1.09594   110.49558   -64.85417
   15    13 S   HC   HG12    15     1.09659   109.90780    54.34517
   16    13 S   C    _CD1    16     1.51845   112.30324   174.69408
   17    16 S   O    _OE1    17     1.22755   123.28474     0.94191
   18    16 S   N    _N2_    18     1.38556   111.72201  -179.00535
   19    18 S   H    _HN2    19     1.01557   119.06161     4.18605
   20    18 S   CT1  _CA2    20     1.45839   122.87395   177.84296
   21    20 S   HC   _HA2    21     1.09730   108.89686    24.85873
   22    20 S   C    _C2_    22     1.52949   106.98894   -92.17606
   23    22 S   O    _O2_    23     1.22984   123.05872   -26.84662
   24    20 S   CT   _CB2    32     1.53244   112.27518   148.04373
   25    24 S   HC   HB21    33     1.09479   109.84453    54.23296
   26    24 S   HC   HB22    34     1.09505   110.02666   173.29475
   27    22 S   N    _N3_    24     1.38508   112.58099   155.86242
   28    27 S   H    _HN3    25     1.01658   120.35491    -2.30664
   29    24 S   S    _SG2    35     1.82458   111.08815   -66.24253
   30    27 S   CT   _CA3    26     1.45353   122.45366   178.55666
   31    30 S   HC   HA31    27     1.09571   107.78925   -55.72488
   32    30 S   HC   HA32    28     1.09562   107.62268    60.59566
   33    29 S   CT   _C10    36     1.84259   100.41536  -167.13144
   34    33 S   HC   _H7_    37     1.10046   105.40724    49.22832
   35    30 S   CO3  _C3_    29     1.52882   114.35860  -177.67822
   36    35 S   O2Z  _O31    30     1.26329   116.07945    -1.74910
   37    35 S   O2Z  _O32    31     1.26438   114.40650   178.24086
   38    33 S   CT   _C9_    38     1.54232   112.01111   -69.15770
   39    38 S   HC   _H6_    39     1.09698   111.09122   -38.37953
   40    33 S   CT   _C11    51     1.56408   116.94405   171.91978
   41    40 S   OM   _O35    52     1.32463   109.79974   -79.16196
   42    38 S   CT   _C8_    40     1.54384   106.12660  -159.29996
   43    42 S   HC   _H5_    41     1.09802   110.91225  -110.19083
   44    40 S   CT   _C12    53     1.55176   116.20422    44.35170
   45    44 S   HC   _H15    54     1.09615   111.55844   171.81549
   46    44 S   HC   _H16    55     1.09368   111.52185    51.66686
   47    38 S   OH   _O36    81     1.42433   111.84664    81.41513
   48    47 S   HO   _H18    82     0.97259   107.94748    55.95426
   49    42 S   CM   _C4_    42     1.50019   111.39195   130.79124
   50    49 S   HC   _H13    43     1.08596   118.33068    55.62101
   51    44 S   OH   _O34    56     1.42709   113.37496   -68.84185
   52    51 S   HO   _H17    57     0.97403   105.76368   -37.01399
   53    49 S   CM   _C5_    44     1.33603   122.14730  -122.16815
   54    53 S   HC   _H14    45     1.08087   123.31069   175.10775
   55    53 S   OS   _O33    46     1.36663   125.72668    -2.51186
   56    55 S   CO   _C6_    47     1.43643   114.93857   -18.63991
   57    56 S   HC   _H3_    48     1.09610   107.35880   165.08615
   58    42 S   CT   _C7_    49     1.54654   105.58069     7.96679
   59    58 S   HC   _H4_    50     1.10478   105.52043   -94.63537
   60    56 S   OS1  _O37    58     1.44044   111.14331   -76.73856
   61    60 S   CO1  _C13    59     1.43246   113.10650   -68.41314
   62    61 S   HC   _H8_    60     1.09773   108.98004    49.33409
   63    61 S   CT   _C14    61     1.53383   107.23584   168.42182
   64    63 S   HC   _H9_    62     1.09682   109.99552    52.59241
   65    63 S   CT   _C15    63     1.53076   111.21633   174.54195
   66    65 S   HC   _H10    64     1.09668   110.22902    73.68292
   67    63 S   OH5  _O42    79     1.42961   110.03543   -64.16042
   68    67 S   HO   _H24    80     0.97226   108.18132   -58.32949
   69    65 S   CT   _C16    65     1.53183   111.34657   -49.01163
   70    69 S   HC   _H11    66     1.09704   109.06938   -71.42309
   71    65 S   OH5  _O41    77     1.42953   109.64633  -170.44229
   72    71 S   HO   _H23    78     0.97240   108.12260    60.47586
   73    69 S   CT   _C17    67     1.53228   110.65144    49.81980
   74    73 S   HC   _H12    68     1.09836   110.93329    64.12403
   75    69 S   OH5  _O40    75     1.42606   109.67543   171.73186
   76    75 S   HO   _H22    76     0.97254   108.19367   -57.98468
   77    61 S   OS1  _O38    69     1.42843   110.70023   -71.83169
   78    73 S   CT   _C18    70     1.52978   111.55284  -175.04884
   79    78 S   HC   _H19    71     1.09505   110.99549    69.96144
   80    78 S   HC   _H20    72     1.09392   111.60597   -52.48055
   81    78 S   OH5  _O39    73     1.42497   109.00464  -171.37536
   82    81 S   HO   _H21    74     0.97235   107.05460  -176.90042
  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  10   5   4   3
  17   8   2   1   1  14   7  16   8  14   7   7   4   3   3   1
   7   4   2   1   6   2   6   8   4   3   1   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42    58    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    56    58    59    40    41    44    45    46    51    47    48  
   38    39    42    58    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    53    56    58    59    40    41    44    47    48  
   42    43    49    58    40    47    48  
   41    44    45    46    51    52    60    47    42    43    49    55    56    57    58    59  
   44    45    46    51    42    56    58    59  
   43    49    50    53    54    55    56    57    58    59    44    60    47    48  
   49    50    53    56    58    59    47  
   45    46    51    52    56    58    59  
   46    51    52    58  
   51    52    58  
   48    49    58  
    0  
   50    53    54    55    56    58    59  
   53    54    55    58  
   52    58  
    0  
   54    55    56    57    58    60  
   55    56  
   56    57    58    59    60    61  
   57    58    59    60    61    62    63    77  
   58    59    60    61  
   59    60    61  
   60  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.107500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   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   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    47   320.000  1.410
   42    43   340.000  1.090
   42    49   317.000  1.510
   42    58   268.000  1.529
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    55   440.000  1.360
   55    56   320.000  1.380
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   320.000  1.380
   58    59   340.000  1.090
   58    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   320.000  1.410
   51    52   553.000  0.945
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   47    48   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    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    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    58    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    70.00000  112.02700
   38    42    58    58.35000  112.70000
   38    47    48    55.00000  108.50000
   42    38    39    37.50000  110.70000
   42    49    50    35.00000  117.00000
   42    49    53    70.00000  124.00000
   42    58    56    75.00000  109.43000
   42    58    59    37.50000  110.70000
   42    58    40    58.35000  112.70000
   49    42    43    35.00000  109.50000
   49    53    54    35.00000  120.00000
   49    53    55    80.00000  120.01400
   53    49    50    35.00000  120.00000
   53    55    56    85.00000  113.97000
   55    53    54    55.00000  109.52600
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.56700
   55    56    60    92.60000  111.55000
   56    58    59    45.00000  108.72000
   56    58    40    75.00000  109.43000
   56    60    61    90.00000  112.10700
   58    42    43    37.50000  110.70000
   58    42    49    70.00000  112.02700
   58    56    57    45.00000  112.01100
   58    40    41    50.00000  109.50000
   58    40    44    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    58    59    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    50.00000  109.50000
   44    40    41    50.00000  109.50000
   44    51    52    55.00000  108.50000
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   60    56    57    35.00000  109.50000
   60    56    58    90.00000  108.56700
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   47    38    39    35.00000  109.50000
   47    38    42    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    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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    58   0.44750  1.0 1.0
   29    33    40    58  -0.17800 -1.0 2.0
   29    33    40    58   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.34400  1.0 1.0
   33    38    42    49   0.09450 -1.0 2.0
   33    38    42    49   0.11100  1.0 3.0
   33    38   -42    58   0.56750  1.0 1.0
   33    38   -42    58  -0.07550 -1.0 2.0
   33    38   -42    58   0.20000  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    51   0.86500  1.0 1.0
   33    40    44    51  -0.17500 -1.0 2.0
   33    40    44    51   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    58   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33   -40    58   0.56750  1.0 1.0
   38    33   -40    58  -0.07550 -1.0 2.0
   38    33   -40    58   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    58    56   3.97050  1.0 1.0
   38    42    58    59   0.15000  1.0 3.0
   38    42   -58    40   0.56750  1.0 1.0
   38    42   -58    40  -0.07550 -1.0 2.0
   38    42   -58    40   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    58   0.15000  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   42    38    47    48  -0.11600  1.0 1.0
   42    38    47    48  -0.09450 -1.0 2.0
   42    38    47    48   0.21250  1.0 3.0
   42    49    53    54   7.00000 -1.0 2.0
   42    49    53    55   7.00000 -1.0 2.0
   42    58   -40    33   0.56750  1.0 1.0
   42    58   -40    33  -0.07550 -1.0 2.0
   42    58   -40    33   0.20000  1.0 3.0
   42    58    40    41   0.62750  1.0 1.0
   42    58    40    41  -0.30950 -1.0 2.0
   42    58    40    41   0.27300  1.0 3.0
   42    58    40    44   0.56750  1.0 1.0
   42    58    40    44  -0.07550 -1.0 2.0
   42    58    40    44   0.20000  1.0 3.0
   43    42    49    50   0.33100  1.0 3.0
   43    42    49    53   0.00000  1.0 1.0
   43    42    58    56   0.15000  1.0 3.0
   43    42    58    59   0.15000  1.0 3.0
   43    42    58    40   0.15000  1.0 3.0
   49    42    58    56   0.34400  1.0 1.0
   49    42    58    56   0.09450 -1.0 2.0
   49    42    58    56   0.11100  1.0 3.0
   49    42    58    59   0.15000  1.0 3.0
   49    42    58    40   0.34400  1.0 1.0
   49    42    58    40   0.09450 -1.0 2.0
   49    42    58    40   0.11100  1.0 3.0
   49    53   -55    56  -2.26850  1.0 1.0
   49    53   -55    56   3.39050 -1.0 2.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    55   7.00000 -1.0 2.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.46850  1.0 1.0
   53    55    56    58   0.09300 -1.0 2.0
   53    55    56    58  -0.12850  1.0 3.0
   53    55    56    60  -0.48150  1.0 1.0
   53    55    56    60   0.09250 -1.0 2.0
   53    55    56    60  -0.12850  1.0 3.0
   54    53    55    56   0.50000 -1.0 2.0
   55    56   -58    42   0.62750  1.0 1.0
   55    56   -58    42  -0.30950 -1.0 2.0
   55    56   -58    42   0.27300  1.0 3.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    40   0.62750  1.0 1.0
   55    56    58    40  -0.30950 -1.0 2.0
   55    56    58    40   0.27300  1.0 3.0
   55    56    60    61  -0.53350  1.0 1.0
   55    56    60    61  -0.78350 -1.0 2.0
   55    56    60    61   0.33750  1.0 3.0
   56    58    40    33   3.97050  1.0 1.0
   56    58    40    41   0.62750  1.0 1.0
   56    58    40    41  -0.30950 -1.0 2.0
   56    58    40    41   0.27300  1.0 3.0
   56    58    40    44   3.97050  1.0 1.0
   56    60    61    62   0.37050  1.0 3.0
   56    60    61    63   0.06250  1.0 1.0
   56    60    61    63  -0.01100 -1.0 2.0
   56    60    61    63   0.28050  1.0 3.0
   56    60    61    77  -0.12700  1.0 1.0
   56    60    61    77  -1.16200 -1.0 2.0
   56    60    61    77   0.58800  1.0 3.0
   57    56    58    42   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    40   0.15000  1.0 3.0
   57    56    60    61   0.37050  1.0 3.0
   58    42    49    50   0.00000  1.0 1.0
   58    42   -49    53   0.09850  1.0 1.0
   58    42   -49    53   0.15250 -1.0 2.0
   58    42   -49    53  -0.50650  1.0 3.0
   58    56    60    61   0.06250  1.0 1.0
   58    56    60    61  -0.01100 -1.0 2.0
   58    56    60    61   0.28050  1.0 3.0
   58    40    44    45   0.15000  1.0 3.0
   58    40    44    46   0.15000  1.0 3.0
   58    40    44    51   0.86500  1.0 1.0
   58    40    44    51  -0.17500 -1.0 2.0
   58    40    44    51   0.20800  1.0 3.0
   59    58    40    33   0.15000  1.0 3.0
   59    58    40    41   0.23400  1.0 3.0
   59    58    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    51   3.69350  1.0 1.0
   41    40    44    51  -1.82950 -1.0 2.0
   45    44    51    52   0.19450  1.0 3.0
   46    44    51    52   0.19450  1.0 3.0
   60    56    58    42   0.62750  1.0 1.0
   60    56    58    42  -0.30950 -1.0 2.0
   60    56    58    42   0.27300  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    40   0.62750  1.0 1.0
   60    56    58    40  -0.30950 -1.0 2.0
   60    56    58    40   0.27300  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   47    38    42    43   0.23400  1.0 3.0
   47    38    42    49   1.05650  1.0 1.0
   47    38    42    49   0.15600 -1.0 2.0
   47    38    42    49   0.53150  1.0 3.0
   47    38    42    58   0.86500  1.0 1.0
   47    38    42    58  -0.17500 -1.0 2.0
   47    38    42    58   0.20800  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
   42    50    49    53   1.10000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
END
