* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    159    228     461
    1     0 S   NP   _N1_     1    29.16082    93.45349   -22.29969
    2     1 S   H    _HN1     2     1.02954    87.89875    31.28895
    3     1 S   H    _H1_     3     1.02825    25.87708   169.84543
    4     1 S   H    _H2_     4     1.02781    98.78446   -76.94225
    5     1 S   CT   _CA1     5     1.50127   135.35675   148.60704
    6     5 S   HC   _HA1     6     1.09574   105.21489    69.02343
    7     5 S   CO3  _C1_     7     1.53793   112.39348   -51.19796
    8     7 S   O2Z  _O11     8     1.26372   115.01307   -43.53648
    9     7 S   O2Z  _O12     9     1.26240   114.94967   135.55003
   10     5 S   CT   _CB1    10     1.53068   107.39102  -173.03551
   11    10 S   HC   HB11    11     1.09830   109.36326   -50.13393
   12    10 S   HC   HB12    12     1.09820   110.43463    66.44384
   13    10 S   CT   _CG1    13     1.52987   112.63783  -171.17198
   14    13 S   HC   HG11    14     1.09589   110.52566   -64.51451
   15    13 S   HC   HG12    15     1.09661   109.92632    54.74793
   16    13 S   C    _CD1    16     1.51776   112.22492   175.12516
   17    16 S   O    _OE1    17     1.22742   123.23668     2.04086
   18    16 S   N    _N2_    18     1.38656   111.63500  -178.12476
   19    18 S   H    _HN2    19     1.01581   119.13782     0.41731
   20    18 S   CT1  _CA2    20     1.46126   123.09921   178.77347
   21    20 S   HC   _HA2    21     1.09433   108.75374   -13.67557
   22    20 S   C    _C2_    22     1.53415   108.13475  -128.64329
   23    22 S   O    _O2_    23     1.23015   122.51832  -145.54762
   24    20 S   CT   _CB2    32     1.53469   112.02650   108.92239
   25    24 S   HC   HB21    33     1.09650   109.52313    61.78995
   26    24 S   HC   HB22    34     1.09569   110.98922   179.22217
   27    22 S   N    _N3_    24     1.38430   113.29273    41.27256
   28    27 S   H    _HN3    25     1.01626   119.32627    -1.25539
   29    24 S   S    _SG2    35     1.82906   114.41070   -57.73233
   30    27 S   CT   _CA3    26     1.45266   123.23955   176.88592
   31    30 S   HC   HA31    27     1.09546   107.23502   -72.76748
   32    30 S   HC   HA32    28     1.09559   108.32767    43.72607
   33    29 S   CT   _C17    36     1.82844    99.71758   -73.38770
   34    33 S   HC   _H22    37     1.09466   107.77231   -74.14434
   35    33 S   HC   _H23    38     1.09018   108.22813    43.90044
   36    30 S   CO3  _C3_    29     1.52962   114.16163   166.10055
   37    36 S   O2Z  _O31    30     1.26368   116.15808     2.94484
   38    36 S   O2Z  _O32    31     1.26466   114.40754  -176.88460
   39    33 S   CT   _C12    39     1.53597   111.15090   164.46966
   40    39 S   HC   _H9_    40     1.09899   107.85924   -54.46527
   41    39 S   CT   _C11    41     1.54276   111.72781  -174.40788
   42    41 S   HC   _H8_    42     1.09917   109.91496   -59.49581
   43    41 S   CT   _C15    43     1.53968   109.43747  -178.16859
   44    43 S   HC   _H12    44     1.09709   109.85748   -68.68535
   45    41 S   OS   _O37    60     1.43148   109.57327    62.72780
   46    43 S   CT   _C14    45     1.53580   109.87552    53.79006
   47    46 S   HC   _H11    46     1.09847   107.67161    65.28720
   48    43 S   OH   _O39    58     1.42914   110.48483   174.25710
   49    48 S   HO   _H16    59     0.97343   109.12732   -38.24724
   50    45 S   CO   _C8_    61     1.43368   113.35015  -111.95520
   51    50 S   HC   _H6_    62     1.09540   108.96877    40.72278
   52    46 S   CO   _C13    47     1.53925   110.71189   -53.32086
   53    52 S   HC   _H10    48     1.09745   108.44939   172.51436
   54    46 S   NTH2 _N4_    55     1.46653   110.73392  -177.49610
   55    54 S   H    _H17    56     1.01994   109.11108   -55.10174
   56    54 S   H    _H18    57     1.01855   109.77373  -171.84411
   57    50 S   CT   _C7_    63     1.53813   109.53334   158.66437
   58    57 S   HC   _H5_    64     1.09772   108.84096   -42.66561
   59    39 S   OS   _O38    49     1.43492   108.67580    64.61106
   60    52 S   OS   _O40    50     1.43299   110.28017   -68.51389
   61    57 S   CT   _C6_    65     1.53528   112.53913    77.85882
   62    61 S   HC   _H4_    66     1.09527   108.58931   167.88251
   63    57 S   OS   _O41    82     1.43217   108.68474  -162.72972
   64    60 S   CT   _C16    51     1.42112   112.39224  -167.45563
   65    64 S   HC   _H19    52     1.09330   108.25261  -179.67374
   66    64 S   HC   _H20    53     1.09415   110.47955    61.63502
   67    64 S   HC   _H21    54     1.09348   110.88969   -60.78323
   68    61 S   CT   _C5_    67     1.54030   112.05437    45.85303
   69    68 S   HC   _H3_    68     1.09785   110.17831  -170.08182
   70    61 S   OH   _O45    80     1.42813   108.98244   -75.60532
   71    70 S   HO   _H24    81     0.97224   107.57035  -178.19582
   72    63 S   SY   _S1_    83     1.63883   120.28785   102.58023
   73    72 S   OY   _O44    84     1.46159   104.35542   -62.24575
   74    72 S   OY   _O42    85     1.46161   103.44729   178.05569
   75    72 S   OY   _O43    86     1.46161   104.35790    58.34492
   76    68 S   CT   _C9_    69     1.53317   109.24424   -50.69458
   77    76 S   HC   _H7_    70     1.09751   109.32553   -61.14978
   78    68 S   OS   _O33    75     1.43362   110.62537    68.22972
   79    50 S   OS   _O34    71     1.43063   112.55322   -76.19680
   80    76 S   CO3  _C10    72     1.54259   115.25869  -178.96524
   81    80 S   O2Z  _O36    73     1.26411   115.96043    22.12597
   82    80 S   O2Z  _O35    74     1.26620   115.29520  -160.07899
   83    78 S   CT   _C4_    76     1.42012   113.40686    83.26296
   84    83 S   HC   _H13    77     1.09341   108.16074   178.46634
   85    83 S   HC   _H14    78     1.09417   110.50396    59.96251
   86    83 S   HC   _H15    79     1.09285   111.23752   -62.73968
  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   7   5   4   3
  10   5   4   2   1   1  13   6  15   7  14   7  11  11   8   3
   1  13   6  10   4   4   1   1  15   7   2   4  13   7   7   3
   2   1   1  14   7   3   1   3   2   1   1   7   5   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    59  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    52    59    45  
   35    39    40    41    59  
   39    40    41    59  
   37    38  
   38  
    0  
   40    41    42    43    44    46    52    53    59    60    48    45    50  
   41    42    43    52    59    45  
   42    43    44    46    47    52    59    54    48    49    45    50    51    57    79  
   43    44    46    59    48    45    50  
   44    46    47    52    53    59    60    54    55    56    48    49    45    50  
   46    47    52    54    48    49    45  
   50    51    57    58    61    76    79    63    46    48    59  
   47    52    53    59    60    64    54    55    56    48    49  
   52    53    59    60    54    55    56    48  
   49    52    54  
    0  
   51    57    58    61    62    68    76    77    79    80    70    63    72  
   57    58    61    76    79    63  
   53    59    60    64    65    66    67    54    55    56  
   59    60    64    54  
   55    56    59    60  
   56  
    0  
   58    61    62    68    69    76    79    78    70    71    63    72    73    74    75  
   61    62    68    79    70    63    72  
   60    64  
   64    65    66    67  
   62    68    69    76    77    79    80    78    83    70    71    63    72  
   68    69    76    78    70    71    63  
   72    73    74    75    68    70    79  
   65    66    67  
   66    67  
   67  
    0  
   69    76    77    79    80    81    82    78    83    84    85    86    70    71  
   76    77    79    80    78    83    70  
   71    76    78  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77    79    80    81    82    78    83  
   79    80    81    82    78  
   83    84    85    86    79    80  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    59   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    52   250.000  1.527
   46    54   300.000  1.468
   52    53   340.000  1.090
   52    59   320.000  1.380
   52    60   320.000  1.380
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   54    55   495.000  1.019
   54    56   495.000  1.019
   48    49   553.000  0.945
   45    50   320.000  1.380
   50    51   340.000  1.090
   50    57   250.000  1.527
   50    79   320.000  1.380
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   320.000  1.410
   61    62   340.000  1.090
   61    68   268.000  1.529
   61    70   320.000  1.410
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    78   320.000  1.410
   76    77   340.000  1.090
   76    79   320.000  1.410
   76    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   70    71   553.000  0.945
   63    72   335.000  1.682
   72    73   735.000  1.471
   72    74   735.000  1.471
   72    75   735.000  1.471
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    59    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    59    52    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    50    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    52    75.00000  109.43000
   43    46    54    80.00000  112.76400
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    52    53    45.00000  112.01100
   46    52    59    90.00000  108.56700
   46    52    60    90.00000  108.56700
   46    54    55    50.00000  110.30900
   46    54    56    50.00000  110.30900
   52    46    47    45.00000  108.72000
   52    60    64    60.00000  109.50000
   59    39    40    35.00000  109.50000
   59    39    41    50.00000  109.50000
   59    52    53    35.00000  109.50000
   60    52    53    35.00000  109.50000
   60    52    59    92.60000  111.55000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   54    46    47    50.00000  110.79000
   54    46    52    80.00000  112.76400
   56    54    55    40.00000  106.77200
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    57    90.00000  108.56700
   45    50    79    92.60000  111.55000
   50    57    58    45.00000  108.72000
   50    57    61    75.00000  109.43000
   50    57    63    90.00000  109.38000
   50    79    76    60.00000  109.50000
   57    50    51    45.00000  112.01100
   57    61    62    37.50000  110.70000
   57    61    68    58.35000  112.70000
   57    61    70    50.00000  109.50000
   57    63    72   100.00000  113.05000
   61    57    58    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    76    58.35000  112.70000
   61    68    78    50.00000  109.50000
   61    70    71    55.00000  108.50000
   68    61    62    37.50000  110.70000
   68    76    77    37.50000  110.70000
   68    76    79    50.00000  109.50000
   68    76    80    70.00000  109.69300
   68    78    83    60.00000  109.50000
   76    68    69    37.50000  110.70000
   76    80    81    70.00000  117.00000
   76    80    82    70.00000  117.00000
   79    50    51    35.00000  109.50000
   79    50    57    90.00000  108.56700
   79    76    77    35.00000  109.50000
   80    76    77    35.00000  109.50000
   80    76    79    85.00000  109.63000
   82    80    81    80.00000  126.00000
   78    68    69    35.00000  109.50000
   78    68    76    50.00000  109.50000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   70    61    62    35.00000  109.50000
   70    61    68    50.00000  109.50000
   63    57    58    35.00000  109.50000
   63    57    61    50.00000  109.50000
   63    72    73   135.00000  106.70400
   63    72    74   135.00000  106.70400
   63    72    75   135.00000  106.70400
   74    72    73   115.00000  120.17200
   75    72    73   115.00000  120.17200
   75    72    74   115.00000  120.17200
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    59   0.56750  1.0 1.0
   29    33    39    59  -0.07550 -1.0 2.0
   29    33    39    59   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    59    52   0.06250  1.0 1.0
   33    39    59    52  -0.01100 -1.0 2.0
   33    39    59    52   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    59   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    59   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    46   0.56750  1.0 1.0
   39    41    43    46  -0.07550 -1.0 2.0
   39    41    43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50   0.06250  1.0 1.0
   39    41    45    50  -0.01100 -1.0 2.0
   39    41    45    50   0.28050  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    59    52   0.37050  1.0 3.0
   41    39    59    52   0.06250  1.0 1.0
   41    39    59    52  -0.01100 -1.0 2.0
   41    39    59    52   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    52   3.97050  1.0 1.0
   41    43    46    54   1.85550  1.0 1.0
   41    43    46    54  -0.84100 -1.0 2.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.37050  1.0 3.0
   41    45    50    57   0.06250  1.0 1.0
   41    45    50    57  -0.01100 -1.0 2.0
   41    45    50    57   0.28050  1.0 3.0
   41    45    50    79  -0.53350  1.0 1.0
   41    45    50    79  -0.78350 -1.0 2.0
   41    45    50    79   0.33750  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.37050  1.0 3.0
   43    41    45    50   0.06250  1.0 1.0
   43    41    45    50  -0.01100 -1.0 2.0
   43    41    45    50   0.28050  1.0 3.0
   43    46    52    53   0.15000  1.0 3.0
   43    46    52    59   0.62750  1.0 1.0
   43    46    52    59  -0.30950 -1.0 2.0
   43    46    52    59   0.27300  1.0 3.0
   43    46    52    60   0.62750  1.0 1.0
   43    46    52    60  -0.30950 -1.0 2.0
   43    46    52    60   0.27300  1.0 3.0
   43    46    54    55   0.21650  1.0 1.0
   43    46    54    55   0.26250 -1.0 2.0
   43    46    54    55   0.12450  1.0 3.0
   43    46    54    56   0.21650  1.0 1.0
   43    46    54    56   0.26250 -1.0 2.0
   43    46    54    56   0.12450  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    52   0.15000  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    52   -59    39   0.06250  1.0 1.0
   46    52   -59    39  -0.01100 -1.0 2.0
   46    52   -59    39   0.28050  1.0 3.0
   46    52    60    64   0.06250  1.0 1.0
   46    52    60    64  -0.01100 -1.0 2.0
   46    52    60    64   0.28050  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    59   0.23400  1.0 3.0
   47    46    52    60   0.23400  1.0 3.0
   47    46    54    55   0.20000  1.0 3.0
   47    46    54    56   0.20000  1.0 3.0
   52    46    54    55   0.21650  1.0 1.0
   52    46    54    55   0.26250 -1.0 2.0
   52    46    54    55   0.12450  1.0 3.0
   52    46    54    56   0.21650  1.0 1.0
   52    46    54    56   0.26250 -1.0 2.0
   52    46    54    56   0.12450  1.0 3.0
   52    60    64    65   0.37050  1.0 3.0
   52    60    64    66   0.37050  1.0 3.0
   52    60    64    67   0.37050  1.0 3.0
   53    52    59    39   0.37050  1.0 3.0
   53    52    60    64   0.37050  1.0 3.0
   59    39    41    42   0.23400  1.0 3.0
   59    39   -41    43   0.62750  1.0 1.0
   59    39   -41    43  -0.30950 -1.0 2.0
   59    39   -41    43   0.27300  1.0 3.0
   59    39    41    45   1.11900  1.0 1.0
   59    39    41    45  -1.16350 -1.0 2.0
   59    39    41    45  -0.34150  1.0 3.0
   59    52    60    64  -0.53350  1.0 1.0
   59    52    60    64  -0.78350 -1.0 2.0
   59    52    60    64   0.33750  1.0 3.0
   60    52    59    39  -0.81800  1.0 1.0
   54    46    52    53   0.15000  1.0 3.0
   54    46    52    59   3.18800  1.0 1.0
   54    46    52    59  -1.12350 -1.0 2.0
   54    46    52    60   3.18800  1.0 1.0
   54    46    52    60  -1.12350 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    52   0.86500  1.0 1.0
   48    43    46    52  -0.17500 -1.0 2.0
   48    43    46    52   0.20800  1.0 3.0
   48    43    46    54   5.28650  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    57    58   0.23400  1.0 3.0
   45    50    57    61   0.62750  1.0 1.0
   45    50    57    61  -0.30950 -1.0 2.0
   45    50    57    61   0.27300  1.0 3.0
   45    50    57    63   1.11900  1.0 1.0
   45    50    57    63  -1.16350 -1.0 2.0
   45    50    57    63  -0.34150  1.0 3.0
   45    50    79    76  -0.81800  1.0 1.0
   50    57    61    62   0.15000  1.0 3.0
   50    57    61    68   3.97050  1.0 1.0
   50    57    61    70   0.86500  1.0 1.0
   50    57    61    70  -0.17500 -1.0 2.0
   50    57    61    70   0.20800  1.0 3.0
   50    57    63    72   0.37500  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    61   0.15000  1.0 3.0
   51    50    57    63   0.23400  1.0 3.0
   51    50    79    76   0.37050  1.0 3.0
   57    50    79    76   0.06250  1.0 1.0
   57    50    79    76  -0.01100 -1.0 2.0
   57    50    79    76   0.28050  1.0 3.0
   57    61    68    69   0.15000  1.0 3.0
   57    61   -68    76   0.56750  1.0 1.0
   57    61   -68    76  -0.07550 -1.0 2.0
   57    61   -68    76   0.20000  1.0 3.0
   57    61    68    78   0.62750  1.0 1.0
   57    61    68    78  -0.30950 -1.0 2.0
   57    61    68    78   0.27300  1.0 3.0
   57    61    70    71  -0.11600  1.0 1.0
   57    61    70    71  -0.09450 -1.0 2.0
   57    61    70    71   0.21250  1.0 3.0
   57    63    72    73   0.29800  1.0 3.0
   57    63    72    74   0.29800  1.0 3.0
   57    63    72    75   0.29800  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    61    70   0.23400  1.0 3.0
   58    57    63    72   0.00000  1.0 1.0
   61    57    63    72   0.37500  1.0 3.0
   61    68    76    77   0.15000  1.0 3.0
   61    68    76    79   0.62750  1.0 1.0
   61    68    76    79  -0.30950 -1.0 2.0
   61    68    76    79   0.27300  1.0 3.0
   61    68    76    80  -1.63150  1.0 1.0
   61    68    76    80  -0.43550 -1.0 2.0
   61    68    76    80   0.24500  1.0 3.0
   61    68    78    83   0.06250  1.0 1.0
   61    68    78    83  -0.01100 -1.0 2.0
   61    68    78    83   0.28050  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    76   0.15000  1.0 3.0
   62    61    68    78   0.23400  1.0 3.0
   62    61    70    71   0.19450  1.0 3.0
   68    61    70    71  -0.11600  1.0 1.0
   68    61    70    71  -0.09450 -1.0 2.0
   68    61    70    71   0.21250  1.0 3.0
   68    76   -79    50   0.06250  1.0 1.0
   68    76   -79    50  -0.01100 -1.0 2.0
   68    76   -79    50   0.28050  1.0 3.0
   68    76    80    81   0.41150 -1.0 2.0
   68    76    80    82   0.41150 -1.0 2.0
   68    78    83    84   0.37050  1.0 3.0
   68    78    83    85   0.37050  1.0 3.0
   68    78    83    86   0.37050  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    79   0.23400  1.0 3.0
   69    68    76    80  -0.11250  1.0 3.0
   69    68    78    83   0.37050  1.0 3.0
   76    68    78    83   0.06250  1.0 1.0
   76    68    78    83  -0.01100 -1.0 2.0
   76    68    78    83   0.28050  1.0 3.0
   77    76    79    50   0.37050  1.0 3.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   79    50    57    58   0.23400  1.0 3.0
   79    50   -57    61   0.62750  1.0 1.0
   79    50   -57    61  -0.30950 -1.0 2.0
   79    50   -57    61   0.27300  1.0 3.0
   79    50    57    63   1.11900  1.0 1.0
   79    50    57    63  -1.16350 -1.0 2.0
   79    50    57    63  -0.34150  1.0 3.0
   79    76    80    81   0.30150 -1.0 2.0
   79    76    80    82   0.30150 -1.0 2.0
   80    76    79    50  -1.11000  1.0 1.0
   80    76    79    50   0.50250 -1.0 2.0
   80    76    79    50   0.47450  1.0 3.0
   78    68    76    77   0.23400  1.0 3.0
   78    68    76    79   1.11900  1.0 1.0
   78    68    76    79  -1.16350 -1.0 2.0
   78    68    76    79  -0.34150  1.0 3.0
   78    68    76    80  -3.35100  1.0 1.0
   78    68    76    80  -0.37050 -1.0 2.0
   78    68    76    80   0.22400  1.0 3.0
   70    61    68    69   0.23400  1.0 3.0
   70    61    68    76   0.86500  1.0 1.0
   70    61    68    76  -0.17500 -1.0 2.0
   70    61    68    76   0.20800  1.0 3.0
   70    61    68    78   3.69350  1.0 1.0
   70    61    68    78  -1.82950 -1.0 2.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    68   0.62750  1.0 1.0
   63    57    61    68  -0.30950 -1.0 2.0
   63    57    61    68   0.27300  1.0 3.0
   63    57    61    70   3.69350  1.0 1.0
   63    57    61    70  -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
   37    30    36    38  10.50000 -1.0 2.0
   81    76    80    82  10.50000 -1.0 2.0
END
