* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    148    219     424
    1     0 S   NP   _N1_     1    28.96888    95.35598   -24.16457
    2     1 S   H    _HN1     2     1.02826    34.05794  -175.13868
    3     1 S   H    _H1_     3     1.02777   107.26987   -78.51262
    4     1 S   H    _H2_     4     1.02949    75.28078    26.55679
    5     1 S   CT   _CA1     5     1.50104   135.02804   130.81922
    6     5 S   HC   _HA1     6     1.09563   105.14730    88.05787
    7     5 S   CO3  _C1_     7     1.53779   112.63987   -32.07770
    8     7 S   O2Z  _O11     8     1.26358   115.02602   -38.66997
    9     7 S   O2Z  _O12     9     1.26270   114.90761   140.57745
   10     5 S   CT   _CB1    10     1.53074   107.44858  -154.00844
   11    10 S   HC   HB11    11     1.09819   109.20907   -50.65599
   12    10 S   HC   HB12    12     1.09812   110.47050    65.90329
   13    10 S   CT   _CG1    13     1.52939   112.65270  -171.78341
   14    13 S   HC   HG11    14     1.09577   110.55599   -65.97395
   15    13 S   HC   HG12    15     1.09609   109.81364    53.36135
   16    13 S   C    _CD1    16     1.51690   112.52844   173.12671
   17    16 S   O    _OE1    17     1.22713   123.32776    -3.08807
   18    16 S   N    _N2_    18     1.38646   111.46051   177.97377
   19    18 S   H    _HN2    19     1.01637   118.74877     0.35936
   20    18 S   CT1  _CA2    20     1.46050   123.34953   175.91620
   21    20 S   HC   _HA2    21     1.09727   109.12878     1.64390
   22    20 S   C    _C2_    22     1.53672   109.25354  -113.89648
   23    22 S   O    _O2_    23     1.23072   121.95762  -155.73472
   24    20 S   CT   _CB2    32     1.53351   112.10162   123.58900
   25    24 S   HC   HB21    33     1.09487   110.17658    59.15842
   26    24 S   HC   HB22    34     1.09469   109.45199   177.89960
   27    22 S   N    _N3_    24     1.38277   114.08422    31.26901
   28    27 S   H    _HN3    25     1.01545   119.13606    -2.14421
   29    24 S   S    _SG2    35     1.82706   112.09943   -62.02756
   30    27 S   CT   _CA3    26     1.45320   123.72570   176.62345
   31    30 S   HC   HA31    27     1.09512   107.09201   -97.71287
   32    30 S   HC   HA32    28     1.09477   109.58044    19.11427
   33    29 S   CT   _C15    36     1.83514    99.42078  -162.78728
   34    33 S   HC   _H7_    37     1.09660   109.28157    49.57177
   35    30 S   CO3  _C3_    29     1.52750   112.58383   142.95803
   36    35 S   O2Z  _O31    30     1.26364   115.36906    46.69759
   37    35 S   O2Z  _O32    31     1.26352   114.83198  -133.25536
   38    33 S   CO3  _C16    38     1.54160   102.05139   163.79475
   39    38 S   O2Z  _O42    39     1.26395   116.73446    90.31803
   40    38 S   O2Z  _O41    40     1.26752   114.64504   -90.11690
   41    33 S   CT   _C14    41     1.52331   112.17357   -73.41349
   42    41 S   HC   _H12    42     1.09445   112.86246   -75.77941
   43    41 S   HC   _H13    43     1.09362   111.55470    45.99820
   44    41 S   OS   _O40    44     1.42775   107.90528   164.34462
   45    44 S   P2   _P2_    45     1.63288   119.37311  -169.86853
   46    45 S   O2Z  _O39    46     1.51409   109.08654   -45.85474
   47    45 S   O2Z  _O38    47     1.51244   108.32680  -178.43815
   48    45 S   OS   _O37    48     1.62594   100.30878    67.51021
   49    48 S   P2   _P1_    49     1.62550   132.48942    58.02919
   50    49 S   O2Z  _O36    50     1.51212   109.27778    66.96073
   51    49 S   O2Z  _O35    51     1.51207   109.49624   -67.48288
   52    49 S   OS   _O34    52     1.63615    98.98173   179.22267
   53    52 S   CT   _C13    53     1.42044   118.98302    59.75831
   54    53 S   HC   _H10    54     1.09535   109.46635   -61.15701
   55    53 S   HC   _H11    55     1.09470   109.86053    56.41100
   56    53 S   CT   _C12    56     1.52534   108.89685   178.85671
   57    56 S   HC   _H6_    57     1.09620   109.61268    51.54862
   58    56 S   CT   _C11    58     1.52661   113.36524   -73.21425
   59    58 S   HC   _H5_    59     1.09373   115.00551    34.40162
   60    58 S   CT   _C10    60     1.51873   102.23112   -88.73071
   61    60 S   HC   _H4_    61     1.09582   109.76641    81.16408
   62    58 S   OH   _O43    81     1.42973   108.57322   155.32602
   63    62 S   HO   _H14    82     0.97264   107.25285   -69.26938
   64    60 S   CO   _C9_    62     1.52233   101.64911   -36.97404
   65    64 S   HC   _H3_    63     1.09639   111.98965   -86.00851
   66    60 S   OH   _O44    79     1.41492   112.08949  -158.05718
   67    66 S   HO   _H15    80     0.97587   108.24364   178.54008
   68    64 S   N*   _N6_    64     1.45023   114.00652   151.19990
   69    56 S   OS   _O33    78     1.44298   108.68959   168.95124
   70    68 S   CRAB _C8_    65     1.36923   126.81248   -80.94720
   71    70 S   HA   _H9_    66     1.08150   122.65769     1.67293
   72    70 S   NNA  _N7_    67     1.31647   112.14792  -178.04575
   73    72 S   C56B _C6_    68     1.37644   104.95846     0.29342
   74    68 S   C56A _C7_    69     1.36801   125.98996   101.05897
   75    74 S   NB   _N5_    70     1.34169   127.72983    -1.88429
   76    75 S   CQ   _C4_    71     1.34632   110.68033   179.96574
   77    76 S   HA   _H8_    72     1.08471   115.78147   178.86357
   78    76 S   NB   _N4_    73     1.35315   128.64021    -1.52136
   79    73 S   CA   _C5_    74     1.40419   131.91652   178.65273
   80    79 S   NND  _N8_    75     1.38073   122.58007    -1.88751
   81    80 S   H    _H16    76     1.01271   121.04879    -4.27590
   82    80 S   H    _H17    77     1.00991   119.13200  -178.28696
  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
   9   7   2   1   1   6   2   1   7   3   2   5   7   3   2   5
   7   3   2   7  10   5   4  12   6  11   7  11   7   4   1  11
   5   3   1   9   2   6   3   6   8   6   4   4   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45    46    47    48    49  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57    58    69  
   54    55    56    57    58    59    60    64    69    62  
   55    56    57    58    69  
   56    57    58    69  
   57    58    59    60    61    64    65    68    69    66    62    63  
   58    59    60    64    69    62  
   59    60    61    64    65    68    69    66    67    62    63  
   60    61    64    69    66    62    63  
   61    64    65    68    70    74    69    66    67    62    63  
   64    65    68    69    66    67    62  
   63    64    66    69  
    0  
   65    68    70    71    72    73    74    75    69    66    67  
   68    70    74    69    66  
   67    68    69  
    0  
   70    71    72    73    74    75    76    79    69  
   70    74  
   71    72    73    74    75    79  
   72    73    74  
   73    74    75    78    79    80  
   74    75    76    78    79    80    81    82  
   75    76    77    78    79    80  
   76    77    78    79  
   77    78    79    80  
   78    79  
   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   79   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   81   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.370000   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   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   320.000  1.410
   44    45   230.000  1.697
   45    46   525.000  1.480
   45    47   525.000  1.480
   45    48   230.000  1.697
   48    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    52   230.000  1.697
   52    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    69   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   250.000  1.527
   60    66   320.000  1.410
   64    65   340.000  1.090
   64    68   275.000  1.479
   64    69   320.000  1.380
   68    70   440.000  1.371
   68    74   436.000  1.374
   70    71   367.000  1.080
   70    72   529.000  1.304
   72    73   414.000  1.391
   73    74   447.000  1.419
   73    79   469.000  1.404
   74    75   461.000  1.354
   75    76   502.000  1.324
   76    77   367.000  1.080
   76    78   502.000  1.324
   78    79   483.000  1.339
   79    80   481.000  1.340
   80    81   434.000  1.010
   80    82   434.000  1.010
   66    67   553.000  0.945
   62    63   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    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    44    45   100.00000  120.50000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    45    46   100.00000  108.23000
   44    45    47   100.00000  108.23000
   44    45    48    45.00000  102.60000
   45    48    49    50.00000  132.62000
   47    45    46   140.00000  119.90000
   48    45    46   100.00000  108.23000
   48    45    47   100.00000  108.23000
   48    49    50   100.00000  108.23000
   48    49    51   100.00000  108.23000
   48    49    52    45.00000  102.60000
   49    52    53   100.00000  120.50000
   51    49    50   140.00000  119.90000
   52    49    50   100.00000  108.23000
   52    49    51   100.00000  108.23000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    50.00000  109.50000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    62    50.00000  109.50000
   56    69    64    60.00000  109.50000
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    64    75.00000  109.43000
   58    60    66    50.00000  109.50000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    45.00000  112.01100
   60    64    68    75.00000  107.44000
   60    64    69    90.00000  108.56700
   60    66    67    55.00000  108.50000
   64    60    61    45.00000  108.72000
   64    68    70    70.00000  128.80000
   64    68    74    70.00000  125.80000
   68    64    65    55.00000  103.44000
   68    70    71    35.00000  123.05000
   68    70    72    70.00000  113.90000
   68    74    73    70.00000  106.20000
   68    74    75    70.00000  126.20000
   70    72    73    70.00000  103.80000
   72    70    71    35.00000  123.05000
   72    73    74    70.00000  110.40000
   72    73    79    70.00000  132.40000
   73    74    75    70.00000  127.70000
   73    79    78    70.00000  117.30000
   73    79    80    70.00000  123.50000
   74    68    70    70.00000  105.40000
   74    75    76    70.00000  111.00000
   75    76    77    35.00000  115.45000
   75    76    78    70.00000  129.10000
   76    78    79    70.00000  118.60000
   78    76    77    35.00000  115.45000
   78    79    80    70.00000  119.30000
   79    73    74    85.00000  116.20000
   79    80    81    35.00000  120.00000
   79    80    82    35.00000  120.00000
   82    80    81    35.00000  120.00000
   69    56    57    35.00000  109.50000
   69    56    58    50.00000  109.50000
   69    64    65    35.00000  109.50000
   69    64    68   105.00000  106.22000
   66    60    61    35.00000  109.50000
   66    60    64    90.00000  111.58700
   62    58    59    35.00000  109.50000
   62    58    60    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    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   0.30150 -1.0 2.0
   29    33    38    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    44    45  -2.65550  1.0 1.0
   33    41    44    45  -0.22350 -1.0 2.0
   33    41    44    45   0.24150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    42  -0.11250  1.0 3.0
   38    33    41    43  -0.11250  1.0 3.0
   38    33    41    44  -3.35100  1.0 1.0
   38    33    41    44  -0.37050 -1.0 2.0
   38    33    41    44   0.22400  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    44    45    46   0.00000  1.0 1.0
   41    44    45    47   0.00000  1.0 1.0
   41    44    45    48   0.05050  1.0 1.0
   41    44    45    48  -1.30700 -1.0 2.0
   41    44    45    48   0.91550  1.0 3.0
   42    41    44    45   0.03000  1.0 3.0
   43    41    44    45   0.03000  1.0 3.0
   44    45    48    49   0.15000  1.0 3.0
   45    48    49    50   0.50000  1.0 3.0
   45    48    49    51   0.50000  1.0 3.0
   45    48    49    52   0.15000  1.0 3.0
   46    45    48    49   0.50000  1.0 3.0
   47    45    48    49   0.50000  1.0 3.0
   48    49    52    53   0.05050  1.0 1.0
   48    49    52    53  -1.30700 -1.0 2.0
   48    49    52    53   0.91550  1.0 3.0
   49    52    53    54   0.03000  1.0 3.0
   49    52    53    55   0.03000  1.0 3.0
   49    52    53    56  -2.65550  1.0 1.0
   49    52    53    56  -0.22350 -1.0 2.0
   49    52    53    56   0.24150  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   52    53    56    57   0.23400  1.0 3.0
   52    53    56    58   0.62750  1.0 1.0
   52    53    56    58  -0.30950 -1.0 2.0
   52    53    56    58   0.27300  1.0 3.0
   52    53    56    69   1.11900  1.0 1.0
   52    53    56    69  -1.16350 -1.0 2.0
   52    53    56    69  -0.34150  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.56750  1.0 1.0
   53    56    58    60  -0.07550 -1.0 2.0
   53    56    58    60   0.20000  1.0 3.0
   53    56    58    62   0.86500  1.0 1.0
   53    56    58    62  -0.17500 -1.0 2.0
   53    56    58    62   0.20800  1.0 3.0
   53    56    69    64   0.06250  1.0 1.0
   53    56    69    64  -0.01100 -1.0 2.0
   53    56    69    64   0.28050  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    69   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    69   0.23400  1.0 3.0
   56    58    60    61   0.15000  1.0 3.0
   56    58   -60    64   3.97050  1.0 1.0
   56    58    60    66   0.86500  1.0 1.0
   56    58    60    66  -0.17500 -1.0 2.0
   56    58    60    66   0.20800  1.0 3.0
   56    58    62    63  -0.11600  1.0 1.0
   56    58    62    63  -0.09450 -1.0 2.0
   56    58    62    63   0.21250  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    62   0.23400  1.0 3.0
   57    56    69    64   0.37050  1.0 3.0
   58    56   -69    64   0.06250  1.0 1.0
   58    56   -69    64  -0.01100 -1.0 2.0
   58    56   -69    64   0.28050  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    68  -0.64600  1.0 1.0
   58    60    64    68   0.58400 -1.0 2.0
   58    60   -64    69   0.62750  1.0 1.0
   58    60   -64    69  -0.30950 -1.0 2.0
   58    60   -64    69   0.27300  1.0 3.0
   58    60    66    67  -0.11600  1.0 1.0
   58    60    66    67  -0.09450 -1.0 2.0
   58    60    66    67   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    66   0.23400  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    68    70   1.10250  1.0 1.0
   60    64    68    70   0.01650 -1.0 2.0
   60    64    68    70   0.39100  1.0 3.0
   60    64    68    74   1.10250  1.0 1.0
   60    64    68    74   0.01650 -1.0 2.0
   60    64    68    74   0.39100  1.0 3.0
   60    64   -69    56   0.06250  1.0 1.0
   60    64   -69    56  -0.01100 -1.0 2.0
   60    64   -69    56   0.28050  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    69   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67  -0.11600  1.0 1.0
   64    60    66    67  -0.09450 -1.0 2.0
   64    60    66    67   0.21250  1.0 3.0
   64    68    70    71   3.62500 -1.0 2.0
   64    68    70    72   3.62500 -1.0 2.0
   64    68    74    73   0.81400  1.0 1.0
   64    68    74    73   1.55550 -1.0 2.0
   64    68    74    75   3.62500 -1.0 2.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    74   0.00000  1.0 1.0
   65    64    69    56   0.37050  1.0 3.0
   68    64    69    56  -2.37750  1.0 1.0
   68    64    69    56  -0.08150 -1.0 2.0
   68    64    69    56   0.59000  1.0 3.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    74    75    76   3.62500 -1.0 2.0
   70    68   -74    73   0.70250  1.0 1.0
   70    68   -74    73   1.56150 -1.0 2.0
   70    68    74    75   3.62500 -1.0 2.0
   70    72   -73    74   3.62500 -1.0 2.0
   70    72    73    79   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73   -74    68   3.62500 -1.0 2.0
   72    73    74    75   3.62500 -1.0 2.0
   72    73    79    78   3.62500 -1.0 2.0
   72    73    79    80   3.62500 -1.0 2.0
   73    74    75    76   3.62500 -1.0 2.0
   73    79    80    81   0.70000 -1.0 2.0
   73    79    80    82   0.70000 -1.0 2.0
   74    68    70    71   3.62500 -1.0 2.0
   74    68   -70    72   3.62500 -1.0 2.0
   74    73    79    78   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    75    76    77   3.62500 -1.0 2.0
   74    75   -76    78   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   76    78   -79    73   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    79    80    81   0.70000 -1.0 2.0
   78    79    80    82   0.70000 -1.0 2.0
   79    73    74    68   3.00000 -1.0 2.0
   79    73   -74    75   3.62500 -1.0 2.0
   69    56    58    59   0.23400  1.0 3.0
   69    56   -58    60   0.62750  1.0 1.0
   69    56   -58    60  -0.30950 -1.0 2.0
   69    56   -58    60   0.27300  1.0 3.0
   69    56    58    62   3.69350  1.0 1.0
   69    56    58    62  -1.82950 -1.0 2.0
   69    64    68    70   0.10350  1.0 1.0
   69    64    68    70  -0.15350 -1.0 2.0
   69    64    68    74   0.10350  1.0 1.0
   69    64    68    74  -0.15350 -1.0 2.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68   2.76900  1.0 1.0
   66    60    64    68  -0.24350 -1.0 2.0
   66    60    64    68  -0.78250  1.0 3.0
   66    60    64    69   3.69350  1.0 1.0
   66    60    64    69  -1.82950 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   0.86500  1.0 1.0
   62    58    60    64  -0.17500 -1.0 2.0
   62    58    60    64   0.20800  1.0 3.0
   62    58    60    66   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    33    38    40  10.50000 -1.0 2.0
   70    74    68    64   4.00000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    79    73    72   4.00000 -1.0 2.0
   73    75    74    68   4.00000 -1.0 2.0
   78    77    76    75   1.10000 -1.0 2.0
   78    80    79    73   4.00000 -1.0 2.0
   82    79    80    81   1.00000 -1.0 2.0
END
