* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    160    221     459
    1     0 S   NP   _N1_     1    30.57931    93.06653   -17.11789
    2     1 S   H    _HN1     2     1.02716   102.23592     2.16193
    3     1 S   H    _H1_     3     1.03868   127.51941   124.36392
    4     1 S   H    _H2_     4     1.02820    21.02817   111.12432
    5     1 S   CT   _CA1     5     1.50277    96.01086  -112.31072
    6     5 S   HC   _HA1     6     1.09694   104.53195    53.04444
    7     5 S   CO3  _C1_     7     1.54391   111.29335   -62.51803
    8     7 S   O2Z  _O11     8     1.26647   113.76917    59.07120
    9     7 S   O2Z  _O12     9     1.26050   116.83715  -120.67827
   10     5 S   CT   _CB1    10     1.53000   106.87929   168.91150
   11    10 S   HC   HB11    11     1.09873   109.81782   -43.37906
   12    10 S   HC   HB12    12     1.09772   109.94799    72.73363
   13    10 S   CT   _CG1    13     1.53187   112.76490  -164.10424
   14    13 S   HC   HG11    14     1.09463   111.86499   -63.51871
   15    13 S   HC   HG12    15     1.09608   110.46227    55.91983
   16    13 S   C    _CD1    16     1.51386   110.19549   175.38934
   17    16 S   O    _OE1    17     1.22834   121.76740  -104.95301
   18    16 S   N    _N2_    18     1.38431   112.70615    73.68934
   19    18 S   H    _HN2    19     1.01626   119.09053     3.92051
   20    18 S   CT1  _CA2    20     1.46104   123.24515  -172.82274
   21    20 S   HC   _HA2    21     1.09750   109.24478   -11.39390
   22    20 S   C    _C2_    22     1.53333   109.26998  -127.38461
   23    22 S   O    _O2_    23     1.23055   122.13691  -149.41288
   24    20 S   CT   _CB2    32     1.53544   111.09658   110.08701
   25    24 S   HC   HB21    33     1.09571   109.78693    57.86349
   26    24 S   HC   HB22    34     1.09286   109.85277   176.78850
   27    22 S   N    _N3_    24     1.38486   113.49588    38.35722
   28    27 S   H    _HN3    25     1.01529   118.89480    -1.14825
   29    24 S   S    _SG2    35     1.82653   111.37041   -63.01369
   30    27 S   CT   _CA3    26     1.45420   123.30506   174.85970
   31    30 S   HC   HA31    27     1.09537   109.04486    28.24390
   32    30 S   HC   HA32    28     1.09491   107.18360   145.20184
   33    29 S   CT   _C12    36     1.85576   100.26642   169.49721
   34    33 S   HC   _H7_    37     1.09548   105.26426   -32.04300
   35    30 S   CO3  _C3_    29     1.52930   113.20547   -95.09836
   36    35 S   O2Z  _O31    30     1.26397   115.45192   -44.75604
   37    35 S   O2Z  _O32    31     1.26366   114.97569   136.19674
   38    33 S   CT   _C13    38     1.54335   110.84157  -148.42540
   39    38 S   HC   _H8_    39     1.09822   108.19727   167.41340
   40    38 S   CT   _C14    40     1.53849   113.50894   -72.90937
   41    40 S   HC   _H9_    41     1.09586   111.26374    72.17978
   42    38 S   OS   _O40    85     1.43130   109.56955    49.55393
   43    40 S   CT   _C9_    42     1.53949   112.03789   -52.90765
   44    43 S   HC   _H4_    43     1.09687   108.09934   -69.33111
   45    40 S   OH   _O39    83     1.43551   109.09945  -171.57317
   46    45 S   HO   _H17    84     0.97658   107.95417   -34.09431
   47    42 S   P3   _P2_    86     1.64651   119.81626   121.74344
   48    47 S   O2Z  _O42    87     1.52508   103.56012  -175.39857
   49    47 S   O2Z  _O43    88     1.52451   103.98623    65.31299
   50    47 S   O2Z  _O41    89     1.52379   104.78684   -55.52790
   51    43 S   CT   _C10    44     1.53245   112.30571    51.69497
   52    51 S   HC   _H5_    45     1.09523   110.34081  -174.28855
   53    43 S   OS   _O38    56     1.43100   107.60994   174.26004
   54    33 S   CT   _C11    46     1.54322   113.82196    88.10416
   55    54 S   HC   _H6_    47     1.09851   107.72594  -171.52585
   56    51 S   OH   _O48    54     1.42719   109.34086    69.59641
   57    56 S   HO   _H19    55     0.97328   106.96627  -171.19228
   58    53 S   P2   _P1_    57     1.63328   121.81056   161.05313
   59    58 S   O2Z  _O37    58     1.51393   108.10055  -162.01253
   60    58 S   O2Z  _O36    59     1.51283   109.85163   -28.87023
   61    54 S   OS   _O44    48     1.42536   111.28913   -52.99654
   62    58 S   OS   _O35    60     1.63497   100.18428    84.75056
   63    61 S   P2   _P3_    49     1.62986   118.94405   -99.08632
   64    63 S   O2Z  _O47    50     1.51077   109.34967    63.79213
   65    63 S   O2Z  _O45    51     1.51089   109.31312   -71.15135
   66    62 S   CT   _C8_    61     1.42658   118.82626    65.27020
   67    66 S   HC   _H15    62     1.09340   108.92004   -46.38520
   68    66 S   HC   _H16    63     1.09509   108.15076    71.86109
   69    63 S   OS   _O46    52     1.63012    98.37605   175.87493
   70    69 S   HO   _H18    53     0.97942   116.20828   -81.13143
   71    66 S   CT   _C7_    64     1.53108   108.30987  -167.76537
   72    71 S   HC   _H3_    65     1.09783   108.61686    40.92937
   73    71 S   CT   _C6_    66     1.52957   111.38003   162.80006
   74    73 S   HC   _H13    67     1.09605   110.49235   171.43883
   75    73 S   HC   _H14    68     1.09684   110.57938    51.90530
   76    71 S   OS   _O49    76     1.44503   107.14744   -77.42301
   77    73 S   OS   _O34    69     1.43616   108.51585   -68.80312
   78    76 S   CO4  _C15    77     1.36239   117.17914   155.08827
   79    78 S   O    _O50    78     1.22315   126.43723     1.39339
   80    77 S   CO4  _C5_    70     1.36066   116.24971  -178.82530
   81    80 S   O    _O33    71     1.22314   126.22097    -0.59970
   82    78 S   CT   _C16    79     1.49839   109.50075  -178.91827
   83    82 S   HC   _H20    80     1.09286   109.82252   -61.79252
   84    82 S   HC   _H21    81     1.09379   109.36268   179.11133
   85    82 S   HC   _H22    82     1.09294   109.84223    60.12680
   86    80 S   CT   _C4_    72     1.49930   109.46401   179.09865
   87    86 S   HC   _H10    73     1.09300   109.81972   -62.76613
   88    86 S   HC   _H11    74     1.09373   109.38378   178.06336
   89    86 S   HC   _H12    75     1.09306   109.87511    59.06959
  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
  16   8   2   1   1  17   7  13   7   7  15   7   3   1   3   2
   1   1   9   6   7   8   3   2   1   7   3   2   5   7   4   3
   2  10   5   4   1   1  10   6   8   4   3   7   6   5   4   5
   4   3   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    54    55    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    52    54    55    61    63    56    45    42    47  
   38    39    40    51    54    55    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    54    55    61    53    45    46    42    47    48    49    50  
   40    41    43    54    45    42    47  
   41    43    44    51    52    54    56    53    58    45    46    42    47  
   43    44    51    53    45    46    42  
   47    48    49    50    43    45    54  
   44    51    52    54    55    61    56    57    53    58    59    60    62    45    46  
   51    52    54    56    53    58    45  
   46    51    53  
    0  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    61    63    56    57    53    58  
   54    55    61    56    57    53  
   58    59    60    62    66    54    56  
   55    61    63    64    65    69    56    57  
   61    63    56  
   57    61  
    0  
   59    60    62    66    67    68    71  
   60    62    66  
   62    66  
   63    64    65    69    70  
   66    67    68    71    72    73    76  
   64    65    69    70  
   65    69    70  
   69    70  
   67    68    71    72    73    74    75    77    76    78  
   68    71    72    73    76  
   71    72    73    76  
   70  
    0  
   72    73    74    75    77    80    76    78    79    82  
   73    74    75    77    76    78  
   74    75    77    80    81    86    76    78  
   75    77    80    76  
   77    80    76  
   78    79    82    83    84    85    77  
   80    81    86    87    88    89  
   79    82    83    84    85  
   82    83    84    85  
   81    86    87    88    89  
   86    87    88    89  
   83    84    85  
   84    85  
   85  
    0  
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    56   320.000  1.410
   54    55   340.000  1.090
   54    61   320.000  1.410
   61    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    69   230.000  1.697
   69    70   553.000  0.945
   56    57   553.000  0.945
   53    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    62   230.000  1.697
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   320.000  1.410
   77    80   214.000  1.327
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    78   214.000  1.327
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   45    46   553.000  0.945
   42    47   230.000  1.630
   47    48   525.000  1.516
   47    49   525.000  1.516
   47    50   525.000  1.516
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    51    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    53    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    56    50.00000  109.50000
   43    53    58   100.00000  120.50000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    61    50.00000  109.50000
   51    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    61    63   100.00000  120.50000
   61    54    55    35.00000  109.50000
   61    63    64   100.00000  108.23000
   61    63    65   100.00000  108.23000
   61    63    69    45.00000  102.60000
   63    69    70    45.00000  108.50000
   65    63    64   140.00000  119.90000
   69    63    64   100.00000  108.23000
   69    63    65   100.00000  108.23000
   56    51    52    35.00000  109.50000
   56    51    54    50.00000  109.50000
   53    43    44    35.00000  109.50000
   53    43    51    50.00000  109.50000
   53    58    59   100.00000  108.23000
   53    58    60   100.00000  108.23000
   53    58    62    45.00000  102.60000
   58    62    66   100.00000  120.50000
   60    58    59   140.00000  119.90000
   62    58    59   100.00000  108.23000
   62    58    60   100.00000  108.23000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    71    50.00000  109.50000
   66    71    72    37.50000  110.70000
   66    71    73    58.35000  112.70000
   66    71    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    77    50.00000  109.50000
   71    76    78    83.00000  116.90000
   73    71    72    37.50000  110.70000
   73    77    80    83.00000  116.90000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    80    81    83.00000  123.40000
   77    80    86    81.00000  111.40000
   80    86    87    35.00000  109.50000
   80    86    88    35.00000  109.50000
   80    86    89    35.00000  109.50000
   86    80    81    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   76    78    79    83.00000  123.40000
   76    78    82    81.00000  111.40000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   82    78    79    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  107.00000
   42    47    49   100.00000  107.00000
   42    47    50   100.00000  107.00000
   49    47    48   140.00000  114.00000
   50    47    48   140.00000  114.00000
   50    47    49   140.00000  114.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    51   0.44750  1.0 1.0
   29    33    54    51  -0.17800 -1.0 2.0
   29    33    54    51   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    61   0.56750  1.0 1.0
   29    33    54    61  -0.07550 -1.0 2.0
   29    33    54    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    54    61    63  -2.65550  1.0 1.0
   33    54    61    63  -0.22350 -1.0 2.0
   33    54    61    63   0.24150  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    42   0.23400  1.0 3.0
   34    33    54    51   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    61   0.23400  1.0 3.0
   38    33    54    51   0.56750  1.0 1.0
   38    33    54    51  -0.07550 -1.0 2.0
   38    33    54    51   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    61   0.62750  1.0 1.0
   38    33    54    61  -0.30950 -1.0 2.0
   38    33    54    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    53   0.62750  1.0 1.0
   38    40    43    53  -0.30950 -1.0 2.0
   38    40    43    53   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    54   0.56750  1.0 1.0
   40    43    51    54  -0.07550 -1.0 2.0
   40    43    51    54   0.20000  1.0 3.0
   40    43    51    56   0.86500  1.0 1.0
   40    43    51    56  -0.17500 -1.0 2.0
   40    43    51    56   0.20800  1.0 3.0
   40    43    53    58  -2.65550  1.0 1.0
   40    43    53    58  -0.22350 -1.0 2.0
   40    43    53    58   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    51   -54    33   0.56750  1.0 1.0
   43    51   -54    33  -0.07550 -1.0 2.0
   43    51   -54    33   0.20000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    61   0.62750  1.0 1.0
   43    51    54    61  -0.30950 -1.0 2.0
   43    51    54    61   0.27300  1.0 3.0
   43    51    56    57  -0.11600  1.0 1.0
   43    51    56    57  -0.09450 -1.0 2.0
   43    51    56    57   0.21250  1.0 3.0
   43    53    58    59   0.00000  1.0 1.0
   43    53    58    60   0.00000  1.0 1.0
   43    53    58    62   0.05050  1.0 1.0
   43    53    58    62  -1.30700 -1.0 2.0
   43    53    58    62   0.91550  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    56   0.23400  1.0 3.0
   44    43    53    58   0.03000  1.0 3.0
   51    43    53    58  -2.65550  1.0 1.0
   51    43    53    58  -0.22350 -1.0 2.0
   51    43    53    58   0.24150  1.0 3.0
   51    54    61    63  -2.65550  1.0 1.0
   51    54    61    63  -0.22350 -1.0 2.0
   51    54    61    63   0.24150  1.0 3.0
   52    51    54    33   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.23400  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    51    56    57  -0.11600  1.0 1.0
   54    51    56    57  -0.09450 -1.0 2.0
   54    51    56    57   0.21250  1.0 3.0
   54    61    63    64   0.00000  1.0 1.0
   54    61    63    65   0.00000  1.0 1.0
   54    61    63    69   0.05050  1.0 1.0
   54    61    63    69  -1.30700 -1.0 2.0
   54    61    63    69   0.91550  1.0 3.0
   55    54    61    63   0.03000  1.0 3.0
   61    63    69    70   0.00000  1.0 1.0
   64    63    69    70   0.00000  1.0 1.0
   65    63    69    70   0.00000  1.0 1.0
   56    51    54    33   0.86500  1.0 1.0
   56    51    54    33  -0.17500 -1.0 2.0
   56    51    54    33   0.20800  1.0 3.0
   56    51    54    55   0.23400  1.0 3.0
   56    51    54    61   3.69350  1.0 1.0
   56    51    54    61  -1.82950 -1.0 2.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    54   0.62750  1.0 1.0
   53    43    51    54  -0.30950 -1.0 2.0
   53    43    51    54   0.27300  1.0 3.0
   53    43    51    56   3.69350  1.0 1.0
   53    43    51    56  -1.82950 -1.0 2.0
   53    58    62    66   0.05050  1.0 1.0
   53    58    62    66  -1.30700 -1.0 2.0
   53    58    62    66   0.91550  1.0 3.0
   58    62    66    67   0.03000  1.0 3.0
   58    62    66    68   0.03000  1.0 3.0
   58    62    66    71  -2.65550  1.0 1.0
   58    62    66    71  -0.22350 -1.0 2.0
   58    62    66    71   0.24150  1.0 3.0
   59    58    62    66   0.00000  1.0 1.0
   60    58    62    66   0.00000  1.0 1.0
   62    66    71    72   0.23400  1.0 3.0
   62    66    71    73   0.62750  1.0 1.0
   62    66    71    73  -0.30950 -1.0 2.0
   62    66    71    73   0.27300  1.0 3.0
   62    66    71    76   1.11900  1.0 1.0
   62    66    71    76  -1.16350 -1.0 2.0
   62    66    71    76  -0.34150  1.0 3.0
   66    71    73    74   0.15000  1.0 3.0
   66    71    73    75   0.15000  1.0 3.0
   66    71    73    77   0.62750  1.0 1.0
   66    71    73    77  -0.30950 -1.0 2.0
   66    71    73    77   0.27300  1.0 3.0
   66    71    76    78  -0.25900  1.0 1.0
   66    71    76    78  -0.47000 -1.0 2.0
   66    71    76    78   0.11750  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    76   0.23400  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    76   0.23400  1.0 3.0
   71    73    77    80  -0.25900  1.0 1.0
   71    73    77    80  -0.47000 -1.0 2.0
   71    73    77    80   0.11750  1.0 3.0
   71    76    78    79   3.00000 -1.0 2.0
   71    76    78    82   1.63150  1.0 1.0
   71    76    78    82   2.92000 -1.0 2.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    77   0.23400  1.0 3.0
   72    71    76    78   0.08050  1.0 3.0
   73    71    76    78  -0.25900  1.0 1.0
   73    71    76    78  -0.47000 -1.0 2.0
   73    71    76    78   0.11750  1.0 3.0
   73    77    80    81   3.00000 -1.0 2.0
   73    77    80    86   1.63150  1.0 1.0
   73    77    80    86   2.92000 -1.0 2.0
   74    73    77    80   0.08050  1.0 3.0
   75    73    77    80   0.08050  1.0 3.0
   77    80    86    87   0.00000  1.0 1.0
   77    80    86    88   0.00000  1.0 1.0
   77    80    86    89   0.00000  1.0 1.0
   81    80    86    87   0.00000  1.0 1.0
   81    80    86    88   0.00000  1.0 1.0
   81    80    86    89   0.00000  1.0 1.0
   76    71    73    74   0.23400  1.0 3.0
   76    71    73    75   0.23400  1.0 3.0
   76    71    73    77   1.11900  1.0 1.0
   76    71    73    77  -1.16350 -1.0 2.0
   76    71    73    77  -0.34150  1.0 3.0
   76    78    82    83   0.00000  1.0 1.0
   76    78    82    84   0.00000  1.0 1.0
   76    78    82    85   0.00000  1.0 1.0
   79    78    82    83   0.00000  1.0 1.0
   79    78    82    84   0.00000  1.0 1.0
   79    78    82    85   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    51   0.86500  1.0 1.0
   45    40    43    51  -0.17500 -1.0 2.0
   45    40    43    51   0.20800  1.0 3.0
   45    40    43    53   3.69350  1.0 1.0
   45    40    43    53  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -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
   77    86    80    81  10.50000 -1.0 2.0
   76    82    78    79  10.50000 -1.0 2.0
END
