* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    158    266     469
    1     0 S   NP   _N1_     1    29.21160    93.63391   -24.88638
    2     1 S   H    _HN1     2     1.02778   108.27038  -116.05475
    3     1 S   H    _H1_     3     1.02955    94.39933    -5.07760
    4     1 S   H    _H2_     4     1.02841    13.61680   153.41584
    5     1 S   CT   _CA1     5     1.50125   121.29370   112.06963
    6     5 S   HC   _HA1     6     1.09572   105.22216    68.79421
    7     5 S   CO3  _C1_     7     1.53786   112.33438   -51.44452
    8     7 S   O2Z  _O11     8     1.26370   114.98186   -44.10364
    9     7 S   O2Z  _O12     9     1.26228   114.93306   134.97991
   10     5 S   CT   _CB1    10     1.53090   107.44505  -173.23952
   11    10 S   HC   HB11    11     1.09828   109.38465   -49.93462
   12    10 S   HC   HB12    12     1.09827   110.43131    66.64349
   13    10 S   CT   _CG1    13     1.53034   112.64836  -170.96845
   14    13 S   HC   HG11    14     1.09592   110.50390   -63.70754
   15    13 S   HC   HG12    15     1.09648   109.95928    55.55735
   16    13 S   C    _CD1    16     1.51780   112.20777   175.95794
   17    16 S   O    _OE1    17     1.22785   123.23133     0.37220
   18    16 S   N    _N2_    18     1.38601   111.79468  -179.92087
   19    18 S   H    _HN2    19     1.01565   119.23211     4.79526
   20    18 S   CT1  _CA2    20     1.45587   122.64205   179.14751
   21    20 S   HC   _HA2    21     1.09476   108.65124    19.63542
   22    20 S   C    _C2_    22     1.52838   107.63374   -96.27176
   23    22 S   O    _O2_    23     1.22926   123.15212   -27.16407
   24    20 S   CT   _CB2    32     1.53237   112.55137   143.14970
   25    24 S   HC   HB21    33     1.09688   109.51103    62.00038
   26    24 S   HC   HB22    34     1.09530   111.01170   178.50263
   27    22 S   N    _N3_    24     1.38536   112.26624   155.40142
   28    27 S   H    _HN3    25     1.01659   120.32492    -2.06317
   29    24 S   S    _SG2    35     1.83132   115.30656   -57.58467
   30    27 S   CT   _CA3    26     1.45305   122.70350   178.79455
   31    30 S   HC   HA31    27     1.09558   107.74272   -57.74278
   32    30 S   HC   HA32    28     1.09556   107.72424    58.65697
   33    29 S   CT   _C17    36     1.85649   101.76537   -56.20544
   34    33 S   HC   _H7_    37     1.08969   102.62991    59.10716
   35    30 S   CO3  _C3_    29     1.52932   114.12603  -179.59555
   36    35 S   O2Z  _O31    30     1.26361   116.03167    -1.42834
   37    35 S   O2Z  _O32    31     1.26424   114.42441   178.56550
   38    33 S   CT   _C16    38     1.54323   112.51206   -55.54208
   39    38 S   HC   _H22    39     1.09721   109.98069   -45.28161
   40    38 S   HC   _H23    40     1.09628   108.08616    70.42183
   41    33 S   CT   _C18    74     1.56463   113.20881   172.26711
   42    41 S   OM   _O33    75     1.31921   110.07559    61.65281
   43    41 S   HC   _H8_    76     1.10129   104.08135   -64.12489
   44    38 S   NT   _N4_    41     1.46688   115.35229  -166.39810
   45    44 S   CT   _C15    42     1.47746   113.05807  -150.87161
   46    45 S   HC   _H20    43     1.09766   109.99620   -40.88861
   47    45 S   HC   _H21    44     1.09606   108.91739  -154.80918
   48    45 S   CT   _C14    45     1.54072   115.58243    83.58441
   49    48 S   HC   _H18    46     1.09748   109.17900   -75.21936
   50    48 S   HC   _H19    47     1.09600   109.48540   168.38402
   51    48 S   CT   _C13    48     1.53794   112.85025    46.22957
   52    51 S   HC   _H16    49     1.09563   110.20032    68.64840
   53    51 S   HC   _H17    50     1.09561   109.49583  -173.31681
   54    51 S   CT   _C12    51     1.52405   107.46925   -53.05389
   55    54 S   HC   _H6_    52     1.09823   105.41308   -55.25513
   56    54 S   CT   _C11    53     1.53793   117.03487  -170.12078
   57    56 S   HC   _H5_    54     1.09493   110.97377    53.50030
   58    56 S   CT   _C10    55     1.51969   109.86395   176.67634
   59    58 S   HC   _H14    56     1.08886   114.37391   -48.72256
   60    58 S   HC   _H15    57     1.09866   109.91160  -169.51750
   61    58 S   CT   _C9_    58     1.52059    99.35404    75.25476
   62    61 S   HC   _H4_    59     1.09461   111.64778   160.67416
   63    61 S   CO4  _C19    60     1.51740    96.49819    46.35830
   64    63 S   O    _O35    61     1.22046   126.52218   147.90371
   65    61 S   C4T  _C8_    63     1.58949   111.14186   -74.19245
   66    56 S   OS   _O34    62     1.43003   113.04328   -69.52165
   67    65 S   C4T  _C5_    64     1.61460   109.81445   148.50510
   68    67 S   HC   _H3_    65     1.09857   112.10905    21.05609
   69    44 S   C4T  _C7_    69     1.47940   114.43319   -22.77455
   70    67 S   C4T  _C6_    66     1.54752    88.53501   -92.87477
   71    70 S   HC   _H12    67     1.09404   114.10365   101.63775
   72    70 S   HC   _H13    68     1.09609   114.58707  -138.38567
   73    67 S   CT   _C4_    70     1.52805   126.87317   151.48780
   74    73 S   HC   _H9_    71     1.09376   112.58542    47.06971
   75    73 S   HC   _H10    72     1.09439   110.99189   -75.34199
   76    73 S   HC   _H11    73     1.09612   110.09113   166.85484
  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
  13   8   2   1   1  14   5   4  14   5   4  17  12   6   5   9
   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5   2
  11   1   9   8   4   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    65    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    61    65    67    69    41    42    43  
   38    39    40    44    65    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    54    65    70    69    41    42    43  
   40    44    45    69    41  
   44    45    69    41  
   42    43    44    54    58    61    62    63    65    67    68    69    70    73  
   43    61    65    67    69  
   61    65    67    69  
   45    46    47    48    49    50    51    54    55    56    61    65    67    70    71    72    69  
   46    47    48    49    50    51    52    53    54    65    70    69  
   47    48    49    50    51    69  
   48    49    50    51    69  
   49    50    51    52    53    54    55    56    69  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    58    66    65    70    69  
   53    54    55    56    69  
   54    55    56    69  
   55    56    57    58    59    60    61    63    66    65    67    70    71    72    69  
   56    57    58    66    65    70    69  
   57    58    59    60    61    62    63    64    66    65    70    69  
   58    59    60    61    63    66    69  
   59    60    61    62    63    64    66    65    67    69  
   60    61    62    63    66    65  
   61    62    63    66    65  
   62    63    64    66    65    67    68    70    69    73  
   63    64    66    65    67    69  
   64    66    65    67    69  
   66    65  
   67    68    70    71    72    69    73    74    75    76    66  
   69  
   68    70    71    72    69    73    74    75    76  
   70    71    72    69    73    74    75    76  
   73    70    71    72  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.058800   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   382.000  1.448
   44    45   382.000  1.448
   44    69   305.000  1.456
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    69   260.000  1.519
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    66   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.522
   61    65   260.000  1.519
   63    64   570.000  1.229
   63    66   214.000  1.327
   65    67   268.000  1.529
   65    69   268.000  1.529
   65    41   260.000  1.519
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    73   260.000  1.519
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    69   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   41    42   570.000  1.307
   41    43   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    56.20000  109.47000
   33    41    65    70.00000  112.98000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    51.80000  107.20000
   38    44    69    51.80000  107.20000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    56.20000  109.47000
   44    69    54    56.20000  109.47000
   44    69    65    65.00000  120.10000
   44    69    70    65.00000  120.10000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    69    70.00000  112.98000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    66    50.00000  109.50000
   54    69    65    65.00000  119.52000
   54    69    70    65.00000  119.52000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    66    63    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    63.00000  111.10000
   58    61    65    70.00000  112.98000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    80.00000  120.40000
   61    63    66    81.00000  111.40000
   61    65    67    65.00000  119.52000
   61    65    69    65.00000  119.52000
   61    65    41    58.35000  112.70000
   63    61    62    35.00000  109.50000
   66    56    57    35.00000  109.50000
   66    56    58    50.00000  109.50000
   66    63    64    83.00000  123.40000
   65    61    62    45.00000  111.22300
   65    61    63    63.00000  111.10000
   65    67    68    37.50000  110.70000
   65    67    70    63.00000   92.00000
   65    67    73    65.00000  119.52000
   65    69    70    63.00000   92.00000
   65    41    42    50.00000  109.50000
   65    41    43    45.00000  111.22300
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    69    63.00000   92.00000
   67    73    74    45.00000  111.22300
   67    73    75    45.00000  111.22300
   67    73    76    45.00000  111.22300
   70    67    68    37.50000  110.70000
   72    70    71    33.00000  107.80000
   69    44    45    51.80000  107.20000
   69    54    55    45.00000  111.22300
   69    54    56    70.00000  112.98000
   69    65    67    63.00000   92.00000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   73    67    68    45.00000  112.72800
   73    67    70    65.00000  119.52000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    67    65.00000  119.52000
   41    65    69    65.00000  119.52000
   43    41    42    45.00000  125.66300
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    65   0.44750  1.0 1.0
   29    33    41    65  -0.17800 -1.0 2.0
   29    33    41    65   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   33    38    44    45   0.23450  1.0 1.0
   33    38    44    45   0.02050 -1.0 2.0
   33    38    44    45   0.25250  1.0 3.0
   33    38    44    69   0.23450  1.0 1.0
   33    38    44    69   0.02050 -1.0 2.0
   33    38    44    69   0.25250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   38    33    41    65   0.31550 -1.0 2.0
   38    33    41    65   0.11250  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    44    45    46   0.28000  1.0 3.0
   38    44    45    47   0.28000  1.0 3.0
   38    44    45    48   0.23450  1.0 1.0
   38    44    45    48   0.02050 -1.0 2.0
   38    44    45    48   0.25250  1.0 3.0
   38    44    69    54   0.23450  1.0 1.0
   38    44    69    54   0.02050 -1.0 2.0
   38    44    69    54   0.25250  1.0 3.0
   38    44   -69    65   0.23450  1.0 1.0
   38    44   -69    65   0.02050 -1.0 2.0
   38    44   -69    65   0.25250  1.0 3.0
   38    44    69    70   0.23450  1.0 1.0
   38    44    69    70   0.02050 -1.0 2.0
   38    44    69    70   0.25250  1.0 3.0
   39    38    44    45   0.28000  1.0 3.0
   39    38    44    69   0.28000  1.0 3.0
   40    38    44    45   0.28000  1.0 3.0
   40    38    44    69   0.28000  1.0 3.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   1.53400  1.0 1.0
   44    45    48    51  -0.09950 -1.0 2.0
   44    45    48    51   0.05700  1.0 3.0
   45    44    69    54   0.23450  1.0 1.0
   45    44    69    54   0.02050 -1.0 2.0
   45    44    69    54   0.25250  1.0 3.0
   45    44    69    65   0.23450  1.0 1.0
   45    44    69    65   0.02050 -1.0 2.0
   45    44    69    65   0.25250  1.0 3.0
   45    44    69    70   0.23450  1.0 1.0
   45    44    69    70   0.02050 -1.0 2.0
   45    44    69    70   0.25250  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48   -51    54   0.56750  1.0 1.0
   45    48   -51    54  -0.07550 -1.0 2.0
   45    48   -51    54   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.56750  1.0 1.0
   48    51    54    56  -0.07550 -1.0 2.0
   48    51    54    56   0.20000  1.0 3.0
   48    51    54    69   0.31550 -1.0 2.0
   48    51    54    69   0.11250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.56750  1.0 1.0
   51    54    56    58  -0.07550 -1.0 2.0
   51    54    56    58   0.20000  1.0 3.0
   51    54    56    66   0.62750  1.0 1.0
   51    54    56    66  -0.30950 -1.0 2.0
   51    54    56    66   0.27300  1.0 3.0
   51    54   -69    44   1.53400  1.0 1.0
   51    54   -69    44  -0.09950 -1.0 2.0
   51    54   -69    44   0.05700  1.0 3.0
   51    54    69    65   0.04050  1.0 1.0
   51    54    69    65   0.63700 -1.0 2.0
   51    54    69    65   0.17650  1.0 3.0
   51    54    69    70   0.04050  1.0 1.0
   51    54    69    70   0.63700 -1.0 2.0
   51    54    69    70   0.17650  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    69   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    69   0.15000  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    61   0.56750  1.0 1.0
   54    56    58    61  -0.07550 -1.0 2.0
   54    56    58    61   0.20000  1.0 3.0
   54    56    66    63  -0.25900  1.0 1.0
   54    56    66    63  -0.47000 -1.0 2.0
   54    56    66    63   0.11750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    66   0.23400  1.0 3.0
   55    54    69    44   0.15000  1.0 3.0
   55    54    69    65   0.00000  1.0 1.0
   55    54    69    70   0.00000  1.0 1.0
   56    54    69    44   1.53400  1.0 1.0
   56    54    69    44  -0.09950 -1.0 2.0
   56    54    69    44   0.05700  1.0 3.0
   56    54    69    65   0.04050  1.0 1.0
   56    54    69    65   0.63700 -1.0 2.0
   56    54    69    65   0.17650  1.0 3.0
   56    54    69    70   0.04050  1.0 1.0
   56    54    69    70   0.63700 -1.0 2.0
   56    54    69    70   0.17650  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63  -0.95700  1.0 1.0
   56    58   -61    63  -0.18200 -1.0 2.0
   56    58   -61    63   0.29450  1.0 3.0
   56    58   -61    65   0.31550 -1.0 2.0
   56    58   -61    65   0.11250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    66    63   0.08050  1.0 3.0
   58    56   -66    63  -0.25900  1.0 1.0
   58    56   -66    63  -0.47000 -1.0 2.0
   58    56   -66    63   0.11750  1.0 3.0
   58    61    63    64   0.30150 -1.0 2.0
   58    61   -63    66   0.36750  1.0 3.0
   58    61    65    67   0.04050  1.0 1.0
   58    61    65    67   0.63700 -1.0 2.0
   58    61    65    67   0.17650  1.0 3.0
   58    61    65    69   0.04050  1.0 1.0
   58    61    65    69   0.63700 -1.0 2.0
   58    61    65    69   0.17650  1.0 3.0
   58    61    65    41   0.56750  1.0 1.0
   58    61    65    41  -0.07550 -1.0 2.0
   58    61    65    41   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63  -0.11250  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63  -0.11250  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   61    63   -66    56   1.63150  1.0 1.0
   61    63   -66    56   2.92000 -1.0 2.0
   61    65    67    68   0.15000  1.0 3.0
   61    65    67    70  -0.70950  1.0 1.0
   61    65    67    70   0.38400 -1.0 2.0
   61    65    67    73   0.56750  1.0 1.0
   61    65    67    73  -0.07550 -1.0 2.0
   61    65    67    73   0.20000  1.0 3.0
   61    65    69    44   1.53400  1.0 1.0
   61    65    69    44  -0.09950 -1.0 2.0
   61    65    69    44   0.05700  1.0 3.0
   61    65   -69    54   0.56750  1.0 1.0
   61    65   -69    54  -0.07550 -1.0 2.0
   61    65   -69    54   0.20000  1.0 3.0
   61    65   -69    70  -0.70950  1.0 1.0
   61    65   -69    70   0.38400 -1.0 2.0
   61    65    41    33   0.56750  1.0 1.0
   61    65    41    33  -0.07550 -1.0 2.0
   61    65    41    33   0.20000  1.0 3.0
   61    65    41    42   0.62750  1.0 1.0
   61    65    41    42  -0.30950 -1.0 2.0
   61    65    41    42   0.27300  1.0 3.0
   61    65    41    43   0.15000  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    69   0.00000  1.0 1.0
   62    61    65    41   0.15000  1.0 3.0
   63    61    65    67  -0.95700  1.0 1.0
   63    61    65    67  -0.18200 -1.0 2.0
   63    61    65    67   0.29450  1.0 3.0
   63    61    65    69  -0.95700  1.0 1.0
   63    61    65    69  -0.18200 -1.0 2.0
   63    61    65    69   0.29450  1.0 3.0
   63    61    65    41  -0.95700  1.0 1.0
   63    61    65    41  -0.18200 -1.0 2.0
   63    61    65    41   0.29450  1.0 3.0
   64    63    66    56   3.00000 -1.0 2.0
   66    56    58    59   0.23400  1.0 3.0
   66    56    58    60   0.23400  1.0 3.0
   66    56   -58    61   0.62750  1.0 1.0
   66    56   -58    61  -0.30950 -1.0 2.0
   66    56   -58    61   0.27300  1.0 3.0
   65    61    63    64   0.30150 -1.0 2.0
   65    61    63    66   0.36750  1.0 3.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    72   0.15000  1.0 3.0
   65    67   -70    69   0.00000  1.0 1.0
   65    67    73    74   0.00000  1.0 1.0
   65    67    73    75   0.00000  1.0 1.0
   65    67    73    76   0.00000  1.0 1.0
   67    65    69    44   1.53400  1.0 1.0
   67    65    69    44  -0.09950 -1.0 2.0
   67    65    69    44   0.05700  1.0 3.0
   67    65    69    54  -0.70950  1.0 1.0
   67    65    69    54   0.38400 -1.0 2.0
   67    65   -69    70   0.00000  1.0 1.0
   67    65    41    33   0.04050  1.0 1.0
   67    65    41    33   0.63700 -1.0 2.0
   67    65    41    33   0.17650  1.0 3.0
   67    65    41    42   0.62750  1.0 1.0
   67    65    41    42  -0.30950 -1.0 2.0
   67    65    41    42   0.27300  1.0 3.0
   67    65    41    43   0.00000  1.0 1.0
   67    70   -69    44   1.53400  1.0 1.0
   67    70   -69    44  -0.09950 -1.0 2.0
   67    70   -69    44   0.05700  1.0 3.0
   67    70   -69    54  -0.70950  1.0 1.0
   67    70   -69    54   0.38400 -1.0 2.0
   67    70   -69    65   0.00000  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    69   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    76   0.15000  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   71    70    69    44   0.15000  1.0 3.0
   71    70    69    54   0.15000  1.0 3.0
   71    70   -69    65   0.15000  1.0 3.0
   72    70    69    44   0.15000  1.0 3.0
   72    70    69    54   0.15000  1.0 3.0
   72    70   -69    65   0.15000  1.0 3.0
   69    44    45    46   0.28000  1.0 3.0
   69    44    45    47   0.28000  1.0 3.0
   69    44   -45    48   0.23450  1.0 1.0
   69    44   -45    48   0.02050 -1.0 2.0
   69    44   -45    48   0.25250  1.0 3.0
   69    54    56    57   0.15000  1.0 3.0
   69    54   -56    58   0.31550 -1.0 2.0
   69    54   -56    58   0.11250  1.0 3.0
   69    54    56    66   0.62750  1.0 1.0
   69    54    56    66  -0.30950 -1.0 2.0
   69    54    56    66   0.27300  1.0 3.0
   69    65   -67    68   0.15000  1.0 3.0
   69    65   -67    70   0.00000  1.0 1.0
   69    65    67    73  -0.70950  1.0 1.0
   69    65    67    73   0.38400 -1.0 2.0
   69    65   -41    33   0.04050  1.0 1.0
   69    65   -41    33   0.63700 -1.0 2.0
   69    65   -41    33   0.17650  1.0 3.0
   69    65    41    42   0.62750  1.0 1.0
   69    65    41    42  -0.30950 -1.0 2.0
   69    65    41    42   0.27300  1.0 3.0
   69    65    41    43   0.00000  1.0 1.0
   73    67    70    71   0.15000  1.0 3.0
   73    67    70    72   0.15000  1.0 3.0
   73    67   -70    69  -0.70950  1.0 1.0
   73    67   -70    69   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   1.53400  1.0 1.0
   41    33    38    44  -0.09950 -1.0 2.0
   41    33    38    44   0.05700  1.0 3.0
   41    65    67    68   0.15000  1.0 3.0
   41    65    67    70  -0.70950  1.0 1.0
   41    65    67    70   0.38400 -1.0 2.0
   41    65    67    73   0.56750  1.0 1.0
   41    65    67    73  -0.07550 -1.0 2.0
   41    65    67    73   0.20000  1.0 3.0
   41    65   -69    44   1.53400  1.0 1.0
   41    65   -69    44  -0.09950 -1.0 2.0
   41    65   -69    44   0.05700  1.0 3.0
   41    65    69    54   0.56750  1.0 1.0
   41    65    69    54  -0.07550 -1.0 2.0
   41    65    69    54   0.20000  1.0 3.0
   41    65   -69    70  -0.70950  1.0 1.0
   41    65   -69    70   0.38400 -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
   61    66    63    64  10.50000 -1.0 2.0
END
