* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    28.33962    98.07216   -23.78673
    2     1 S   H    _HN1     2     1.02778   112.79660  -105.57970
    3     1 S   H    _H1_     3     1.02958    66.95914    -4.50667
    4     1 S   H    _H2_     4     1.02836    40.95104   163.04227
    5     1 S   CT   _CA1     5     1.50146   132.88263    92.48596
    6     5 S   HC   _HA1     6     1.09577   105.19526   100.55092
    7     5 S   CO3  _C1_     7     1.53770   112.31772   -19.59712
    8     7 S   O2Z  _O11     8     1.26369   114.98820   -44.47941
    9     7 S   O2Z  _O12     9     1.26230   114.92327   134.48592
   10     5 S   CT   _CB1    10     1.53084   107.40681  -141.57924
   11    10 S   HC   HB11    11     1.09834   109.28106   -50.45572
   12    10 S   HC   HB12    12     1.09814   110.45243    66.07665
   13    10 S   CT   _CG1    13     1.53039   112.71219  -171.51261
   14    13 S   HC   HG11    14     1.09592   110.52882   -65.39340
   15    13 S   HC   HG12    15     1.09658   109.88728    53.82707
   16    13 S   C    _CD1    16     1.51857   112.22666   174.16367
   17    16 S   O    _OE1    17     1.22770   123.25038     2.59382
   18    16 S   N    _N2_    18     1.38570   111.80574  -177.37415
   19    18 S   H    _HN2    19     1.01564   119.10441     3.74366
   20    18 S   CT1  _CA2    20     1.45826   122.76552   177.51368
   21    20 S   HC   _HA2    21     1.09729   108.84687    25.97293
   22    20 S   C    _C2_    22     1.52957   106.92341   -91.09460
   23    22 S   O    _O2_    23     1.22990   123.03886   -27.34705
   24    20 S   CT   _CB2    32     1.53168   112.42008   149.13330
   25    24 S   HC   HB21    33     1.09601   110.27698    55.57233
   26    24 S   HC   HB22    34     1.09489   109.96003   174.41742
   27    22 S   N    _N3_    24     1.38496   112.62628   155.34629
   28    27 S   H    _HN3    25     1.01658   120.38655    -1.87576
   29    24 S   S    _SG2    35     1.82616   111.29530   -65.03873
   30    27 S   CT   _CA3    26     1.45363   122.40899   178.72344
   31    30 S   HC   HA31    27     1.09567   107.75892   -57.14336
   32    30 S   HC   HA32    28     1.09567   107.64590    59.17022
   33    29 S   CT   _C14    36     1.85525    99.30231   179.84051
   34    33 S   HC   _H7_    37     1.09982   104.29268   -44.85079
   35    30 S   CO3  _C3_    29     1.52875   114.37213  -178.98529
   36    35 S   O2Z  _O31    30     1.26328   116.05358     1.14124
   37    35 S   O2Z  _O32    31     1.26442   114.40554  -178.90318
   38    33 S   CM   _C13    38     1.53686   111.83383    71.38189
   39    33 S   CT   _C15    59     1.58670   115.86265  -162.54254
   40    39 S   OM   _O39    60     1.32514   109.19465    60.71642
   41    39 S   HC   _H8_    61     1.09859   104.93032  -174.46685
   42    38 S   CM   _C12    39     1.34904   121.29857    49.82500
   43    42 S   HC   _H16    40     1.08920   118.37642   -10.34638
   44    38 S   CT   _C21    86     1.50641   114.25426  -138.00309
   45    44 S   HC   _H22    87     1.09414   110.69165   -65.02519
   46    44 S   HC   _H23    88     1.09255   113.17895   173.18105
   47    44 S   HC   _H24    89     1.09558   109.87147    54.61446
   48    42 S   CT   _C11    41     1.49870   127.25735   156.98882
   49    48 S   HC   _H6_    42     1.09417   112.58465     6.34449
   50    48 S   CT   _C10    43     1.53506   110.04243  -118.99220
   51    50 S   HC   _H5_    44     1.09871   110.10891   -41.04217
   52    50 S   CM   _C23    45     1.49617    98.76661  -150.52130
   53    50 S   CT   _C9_    52     1.54801   116.19245    82.83678
   54    53 S   HC   _H4_    53     1.09698   108.82778   171.73357
   55    52 S   CO4  _C22    46     1.48125   108.15837    25.52128
   56    55 S   O    _O41    47     1.21748   126.98221   168.69228
   57    52 S   CM   _C24    49     1.33567   130.36745  -154.38327
   58    57 S   HC   _H25    50     1.08442   121.41176    -0.38866
   59    57 S   HC   _H26    51     1.08540   121.58922   179.81869
   60    53 S   CT   _C18    54     1.55947   116.16256   -65.34937
   61    60 S   HC   _H9_    55     1.09198   107.10224    79.95319
   62    53 S   OS   _O35    71     1.45665   107.60190    53.08417
   63    48 S   OS   _O40    48     1.43565   109.54805   125.54225
   64    60 S   CM   _C17    56     1.51628   117.05986   -45.69656
   65    60 S   OH   _O36    69     1.43565   107.68157  -168.20577
   66    65 S   HO   _H18    70     0.97312   107.44797  -179.73980
   67    62 S   CO4  _C8_    72     1.35924   118.65916   131.47573
   68    67 S   O    _O34    73     1.22208   127.19419    -4.91805
   69    64 S   CM   _C16    57     1.35451   126.18988   130.16533
   70    69 S   HC   _H17    58     1.09252   117.77700  -178.95883
   71    64 S   CO4  _C19    62     1.49360   116.04302   -50.18565
   72    71 S   O    _O37    63     1.22284   123.32321   -35.47674
   73    67 S   C3T  _C6_    74     1.48295   110.66309   172.50470
   74    71 S   OS   _O38    64     1.36061   110.61510   140.89517
   75    73 S   C3T  _C5_    75     1.52041   120.27007    68.18484
   76    75 S   HC   _H3_    76     1.08220   118.72617  -152.39699
   77    73 S   CT   _C7_    82     1.50054   118.42584   -91.47937
   78    77 S   HC   _H13    83     1.09519   112.09158  -176.05633
   79    77 S   HC   _H14    84     1.09473   110.06496    63.72885
   80    77 S   HC   _H15    85     1.09484   110.35754   -55.71748
   81    74 S   CT   _C20    65     1.43033   115.31448  -177.55720
   82    81 S   HC   _H19    66     1.09326   108.09993  -179.01265
   83    81 S   HC   _H20    67     1.09424   110.21913    62.33417
   84    81 S   HC   _H21    68     1.09423   110.35081   -60.28964
   85    73 S   O3T  _O33    77     1.44187   113.40946   133.15941
   86    75 S   CT   _C4_    78     1.48709   123.38502     0.12511
   87    86 S   HC   _H10    79     1.09383   112.31551    40.07689
   88    86 S   HC   _H11    80     1.09411   110.23463   -81.09148
   89    86 S   HC   _H12    81     1.09455   109.97005   159.90497
  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
  15   7   2   1   1  14   9   4   3  13   5   4   2   1   1  12
   6  16   8  10  15   6   5   2   3   1   1  11   6   8   1   8
   3   1  10   4   4   1   6   2  11   4  10   6   5   3   2   1
   3   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    69    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    48    64    69    70    39    40    41    44    45    46    47  
   38    42    69    39    40    41    44  
   36    37  
   37  
    0  
   42    43    48    49    50    63    69    39    40    41    44    45    46    47  
   40    41    71    44    42    60    64    69    70  
   41    64    69    70  
   64    69    70  
   43    48    49    50    51    52    55    63    53    44    45    46    47  
   48    49    50    63    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    55    56    63    57    53    54    60    62  
   50    51    52    55    63    53  
   51    52    55    56    63    57    58    59    53    54    60    61    64    65    62    67  
   52    55    63    57    53    54    60    62  
   55    56    63    57    58    59    53    54    60    62  
   54    60    61    64    69    71    65    66    62    67    68    73    55    57    63  
   60    61    64    65    62    67  
   56    63    57    58    59  
   63    57  
   58    59    63  
   59  
    0  
   61    64    69    70    71    72    74    65    66    62    67  
   64    69    71    65    66    62  
   67    68    73    75    85    77    64    65  
    0  
   69    70    71    72    74    81    65    66  
   66    69    71  
    0  
   68    73    75    76    85    86    77    78    79    80  
   73    75    85    77  
   70    71    72    74  
   71  
   72    74    81    82    83    84  
   74    81  
   75    76    85    86    87    88    89    77    78    79    80  
   81    82    83    84  
   76    85    86    87    88    89    77    78    79    80  
   85    86    87    88    89    77  
   78    79    80    85    86  
   79    80    85  
   80    85  
   85  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    63   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    63   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    62   320.000  1.410
   60    61   340.000  1.090
   60    64   317.000  1.510
   60    65   320.000  1.410
   64    69   549.000  1.340
   64    71   320.000  1.462
   69    70   340.000  1.080
   69    39   317.000  1.510
   39    40   570.000  1.307
   39    41   340.000  1.090
   71    72   570.000  1.229
   71    74   214.000  1.327
   74    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   65    66   553.000  0.945
   62    67   214.000  1.327
   67    68   570.000  1.229
   67    73   290.000  1.496
   73    75   260.000  1.509
   73    85   335.000  1.432
   73    77   275.000  1.510
   75    76   340.000  1.088
   75    85   335.000  1.432
   75    86   275.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    69    70.00000  112.02700
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    63    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.02700
   48    50    53    58.35000  112.70000
   48    63    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    53    62    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    63    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   63    48    49    35.00000  109.50000
   63    48    50    50.00000  109.50000
   63    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    37.50000  110.70000
   53    60    64    70.00000  112.02700
   53    60    65    50.00000  109.50000
   53    62    67    83.00000  116.90000
   60    53    54    37.50000  110.70000
   60    64    69    70.00000  124.00000
   60    64    71    65.00000  116.34900
   60    65    66    55.00000  108.50000
   64    60    61    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    39    70.00000  124.00000
   64    71    72    80.00000  123.72100
   64    71    74    90.00000  111.29400
   69    39    40    85.00000  110.90400
   69    39    41    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    69    70    35.00000  117.00000
   41    39    40    45.00000  125.66300
   71    64    69    65.00000  118.96000
   71    74    81    83.00000  116.90000
   74    71    72    83.00000  123.40000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    64    90.00000  110.39200
   62    53    54    35.00000  109.50000
   62    53    60    50.00000  109.50000
   62    67    68    83.00000  123.40000
   62    67    73    81.00000  111.40000
   67    73    75    65.00000  117.18000
   67    73    85    80.00000  114.91000
   67    73    77    63.00000  111.10000
   73    67    68    75.00000  121.36600
   73    75    76    37.50000  117.20000
   73    75    85    15.00000   60.43100
   73    75    86    60.00000  120.94000
   73    85    75    15.00000   59.14900
   73    77    78    45.00000  109.38400
   73    77    79    45.00000  109.38400
   73    77    80    45.00000  109.38400
   75    86    87    45.00000  109.38400
   75    86    88    45.00000  109.38400
   75    86    89    45.00000  109.38400
   85    73    75    15.00000   60.43100
   85    75    76    50.00000  114.27700
   86    75    76    40.00000  115.04500
   86    75    85    80.00000  116.47100
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   77    73    75    60.00000  120.94000
   77    73    85    80.00000  116.47100
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    69   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    69   0.31000  1.0 1.0
   38    33    39    69   0.14700 -1.0 2.0
   38    33    39    69   0.07550  1.0 3.0
   38    33    39    40   0.61850  1.0 1.0
   38    33    39    40  -0.22750 -1.0 2.0
   38    33    39    40   0.15300  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    63   0.39000  1.0 1.0
   38    42    48    63  -0.05800 -1.0 2.0
   38    42    48    63  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.31000  1.0 1.0
   42    48    50    52   0.14700 -1.0 2.0
   42    48    50    52   0.07550  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    63    55  -0.82050  1.0 1.0
   42    48    63    55   0.00600 -1.0 2.0
   42    48    63    55   0.04400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    63   0.00000  1.0 1.0
   48    50   -52    55   0.09700  1.0 1.0
   48    50   -52    55   0.15600 -1.0 2.0
   48    50   -52    55  -0.50800  1.0 3.0
   48    50    52    57   0.09850  1.0 1.0
   48    50    52    57   0.15250 -1.0 2.0
   48    50    52    57  -0.50650  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    60   0.56750  1.0 1.0
   48    50    53    60  -0.07550 -1.0 2.0
   48    50    53    60   0.20000  1.0 3.0
   48    50    53    62   0.62750  1.0 1.0
   48    50    53    62  -0.30950 -1.0 2.0
   48    50    53    62   0.27300  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    63    55   0.08050  1.0 3.0
   50    48   -63    55  -0.25900  1.0 1.0
   50    48   -63    55  -0.47000 -1.0 2.0
   50    48   -63    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    63  -0.15000  1.0 1.0
   50    52   -55    63   0.89550 -1.0 2.0
   50    52   -55    63  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    64   0.34400  1.0 1.0
   50    53    60    64   0.09450 -1.0 2.0
   50    53    60    64   0.11100  1.0 3.0
   50    53    60    65   0.86500  1.0 1.0
   50    53    60    65  -0.17500 -1.0 2.0
   50    53    60    65   0.20800  1.0 3.0
   50    53    62    67  -0.25900  1.0 1.0
   50    53    62    67  -0.47000 -1.0 2.0
   50    53    62    67   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    62   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.34400  1.0 1.0
   52    50    53    60   0.09450 -1.0 2.0
   52    50    53    60   0.11100  1.0 3.0
   52    50    53    62   0.61850  1.0 1.0
   52    50    53    62  -0.22750 -1.0 2.0
   52    50    53    62   0.15300  1.0 3.0
   52    55   -63    48   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    63    48   3.00000 -1.0 2.0
   63    48    50    51   0.23400  1.0 3.0
   63    48   -50    52   0.61850  1.0 1.0
   63    48   -50    52  -0.22750 -1.0 2.0
   63    48   -50    52   0.15300  1.0 3.0
   63    48    50    53   0.62750  1.0 1.0
   63    48    50    53  -0.30950 -1.0 2.0
   63    48    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    63  -0.56150  1.0 1.0
   57    52    55    63   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    64    69   0.09850  1.0 1.0
   53    60    64    69   0.15250 -1.0 2.0
   53    60    64    69  -0.50650  1.0 3.0
   53    60    64    71   0.09700  1.0 1.0
   53    60    64    71   0.15600 -1.0 2.0
   53    60    64    71  -0.50800  1.0 3.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   53    62    67    68   3.00000 -1.0 2.0
   53    62    67    73   1.63150  1.0 1.0
   53    62    67    73   2.92000 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    64   0.15000  1.0 3.0
   54    53    60    65   0.23400  1.0 3.0
   54    53    62    67   0.08050  1.0 3.0
   60    53    62    67  -0.25900  1.0 1.0
   60    53    62    67  -0.47000 -1.0 2.0
   60    53    62    67   0.11750  1.0 3.0
   60    64    69    70   7.00000 -1.0 2.0
   60    64    69    39   7.00000 -1.0 2.0
   60    64    71    72  -0.64400  1.0 1.0
   60    64    71    72   0.26850 -1.0 2.0
   60    64    71    74  -0.15000  1.0 1.0
   60    64    71    74   0.89550 -1.0 2.0
   60    64    71    74  -0.06900  1.0 3.0
   61    60    64    69   0.00000  1.0 1.0
   61    60    64    71   0.15000  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   64    60    65    66  -0.07800  1.0 1.0
   64    60    65    66  -0.21500 -1.0 2.0
   64    60    65    66  -0.03150  1.0 3.0
   64    69    39    33   0.09850  1.0 1.0
   64    69    39    33   0.15250 -1.0 2.0
   64    69    39    33  -0.50650  1.0 3.0
   64    69    39    40   0.39000  1.0 1.0
   64    69    39    40  -0.05800 -1.0 2.0
   64    69    39    40  -0.55150  1.0 3.0
   64    69    39    41   0.00000  1.0 1.0
   64    71    74    81   2.00000 -1.0 2.0
   69    64    71    72   1.00000 -1.0 2.0
   69    64    71    74  -0.56150  1.0 1.0
   69    64    71    74   2.19150 -1.0 2.0
   70    69    39    33   0.00000  1.0 1.0
   70    69    39    40   0.00000  1.0 1.0
   70    69    39    41   0.33100  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   71    64    69    70   7.00000 -1.0 2.0
   71    64    69    39   7.00000 -1.0 2.0
   71    74    81    82   0.08050  1.0 3.0
   71    74    81    83   0.08050  1.0 3.0
   71    74    81    84   0.08050  1.0 3.0
   72    71    74    81   3.00000 -1.0 2.0
   65    60    64    69   0.67800  1.0 1.0
   65    60    64    69   0.47050 -1.0 2.0
   65    60    64    69  -0.62500  1.0 3.0
   65    60    64    71   0.09700  1.0 1.0
   65    60    64    71   0.15600 -1.0 2.0
   65    60    64    71  -0.50800  1.0 3.0
   62    53    60    61   0.23400  1.0 3.0
   62    53    60    64   0.61850  1.0 1.0
   62    53    60    64  -0.22750 -1.0 2.0
   62    53    60    64   0.15300  1.0 3.0
   62    53    60    65   3.69350  1.0 1.0
   62    53    60    65  -1.82950 -1.0 2.0
   62    67    73    75   0.36750  1.0 3.0
   62    67    73    85   0.40000  1.0 3.0
   62    67    73    77   0.36750  1.0 3.0
   67    73    75    76   0.15000  1.0 3.0
   67    73   -75    85  -0.09450  1.0 1.0
   67    73   -75    85  -1.12950 -1.0 2.0
   67    73   -75    85   0.54000  1.0 3.0
   67    73    75    86  -0.95700  1.0 1.0
   67    73    75    86  -0.18200 -1.0 2.0
   67    73    75    86   0.29450  1.0 3.0
   67    73   -85    75  -1.11000  1.0 1.0
   67    73   -85    75   0.50250 -1.0 2.0
   67    73   -85    75   0.47450  1.0 3.0
   67    73    77    78  -0.11250  1.0 3.0
   67    73    77    79  -0.11250  1.0 3.0
   67    73    77    80  -0.11250  1.0 3.0
   68    67    73    75   0.30150 -1.0 2.0
   68    67    73    85   0.30150 -1.0 2.0
   68    67    73    77   0.30150 -1.0 2.0
   73    75    86    87   0.15000  1.0 3.0
   73    75    86    88   0.15000  1.0 3.0
   73    75    86    89   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   76    75   -85    73   0.36800  1.0 3.0
   76    75    86    87   0.15000  1.0 3.0
   76    75    86    88   0.15000  1.0 3.0
   76    75    86    89   0.15000  1.0 3.0
   85    73   -75    76   0.23400  1.0 3.0
   85    73   -75    86   0.02550  1.0 1.0
   85    73   -75    86  -0.02600 -1.0 2.0
   85    73   -75    86   1.20400  1.0 3.0
   85    73    77    78   0.23400  1.0 3.0
   85    73    77    79   0.23400  1.0 3.0
   85    73    77    80   0.23400  1.0 3.0
   85    75    86    87   0.23400  1.0 3.0
   85    75    86    88   0.23400  1.0 3.0
   85    75    86    89   0.23400  1.0 3.0
   86    75   -85    73   0.06250  1.0 1.0
   86    75   -85    73  -0.01100 -1.0 2.0
   86    75   -85    73   0.28050  1.0 3.0
   77    73    75    76   0.15000  1.0 3.0
   77    73   -75    85   0.02550  1.0 1.0
   77    73   -75    85  -0.02600 -1.0 2.0
   77    73   -75    85   1.20400  1.0 3.0
   77    73    75    86   0.56750  1.0 1.0
   77    73    75    86  -0.07550 -1.0 2.0
   77    73    75    86   0.20000  1.0 3.0
   77    73   -85    75   0.06250  1.0 1.0
   77    73   -85    75  -0.01100 -1.0 2.0
   77    73   -85    75   0.28050  1.0 3.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    48   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   50    55    52    57   1.10000 -1.0 2.0
   52    63    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   60    71    64    69   1.10000 -1.0 2.0
   39    70    69    64   1.10000 -1.0 2.0
   64    74    71    72  10.50000 -1.0 2.0
   62    73    67    68  10.50000 -1.0 2.0
END
