* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    252     496
    1     0 S   NP   _N1_     1    30.44042    93.88727   -16.24598
    2     1 S   H    _HN1     2     1.02810    30.00550   107.39263
    3     1 S   H    _H1_     3     1.02791    93.21991   -14.05128
    4     1 S   H    _H2_     4     1.03095   137.27953   106.56612
    5     1 S   CT   _CA1     5     1.50215    94.24784  -126.46098
    6     5 S   HC   _HA1     6     1.09552   105.26952    38.23000
    7     5 S   CO3  _C1_     7     1.53763   112.80163   -82.18286
    8     7 S   O2Z  _O11     8     1.26355   115.14565   -38.20396
    9     7 S   O2Z  _O12     9     1.26235   114.93316   141.12101
   10     5 S   CT   _CB1    10     1.52886   107.08545   156.41101
   11    10 S   HC   HB11    11     1.09865   109.48797   -48.33809
   12    10 S   HC   HB12    12     1.09728   109.96259    67.68192
   13    10 S   CT   _CG1    13     1.53053   113.47645  -169.73597
   14    13 S   HC   HG11    14     1.09534   111.38856   -64.94234
   15    13 S   HC   HG12    15     1.09565   110.86576    54.86087
   16    13 S   C    _CD1    16     1.51424   109.27741   174.26393
   17    16 S   O    _OE1    17     1.22791   121.78343   -97.91541
   18    16 S   N    _N2_    18     1.38414   112.65897    79.36573
   19    18 S   H    _HN2    19     1.01528   119.09158     7.44411
   20    18 S   CT1  _CA2    20     1.46186   123.39352  -171.24720
   21    20 S   HC   _HA2    21     1.09713   109.41305    -4.87291
   22    20 S   C    _C2_    22     1.53287   108.79254  -121.13725
   23    22 S   O    _O2_    23     1.23031   122.12380  -145.18543
   24    20 S   CT   _CB2    32     1.53600   110.99858   116.64419
   25    24 S   HC   HB21    33     1.09557   109.48735    60.48849
   26    24 S   HC   HB22    34     1.09484   110.43708   179.23998
   27    22 S   N    _N3_    24     1.38463   113.51437    42.07666
   28    27 S   H    _HN3    25     1.01514   119.01690    -0.20558
   29    24 S   S    _SG2    35     1.82952   111.66586   -60.25617
   30    27 S   CT   _CA3    26     1.45434   123.24822   175.49328
   31    30 S   HC   HA31    27     1.09539   108.99770    28.63820
   32    30 S   HC   HA32    28     1.09491   107.16746   145.57977
   33    29 S   CT   _C25    36     1.83799    99.85479   164.09185
   34    33 S   HC   _H3_    37     1.09645   107.29510   -34.10177
   35    30 S   CO3  _C3_    29     1.52935   113.33458   -94.69256
   36    35 S   O2Z  _O31    30     1.26385   115.50748   -42.84024
   37    35 S   O2Z  _O32    31     1.26374   114.92574   138.14565
   38    33 S   CT   _C22    38     1.52807   109.27156    82.48554
   39    38 S   HC   _H52    39     1.09490   112.41444    58.81284
   40    38 S   HC   _H53    40     1.09551   111.28975   -62.33429
   41    38 S   HC   _H54    41     1.09563   110.37319   179.03490
   42    33 S   CT   _C24    42     1.54830   112.38028  -152.39899
   43    42 S   HC   _H57    43     1.10021   108.64528  -175.22029
   44    42 S   CO4  _C12    44     1.52687   109.58620    69.97828
   45    44 S   O    _O25    45     1.22368   125.24544  -103.77364
   46    42 S   CT   _C23    84     1.53507   115.68449   -55.22760
   47    46 S   HC   _H55    85     1.09587   111.88033    72.58830
   48    46 S   HC   _H56    86     1.09461   110.83564   -49.81100
   49    44 S   OS   _O28    46     1.36508   109.05474    75.80119
   50    46 S   OS   _O29    87     1.44238   107.90110  -167.64231
   51    49 S   CT   _C18    47     1.44262   118.18558  -176.74033
   52    51 S   HC   _H42    48     1.09650   107.68152    36.18526
   53    50 S   CO4  _C11    88     1.36228   115.74812  -175.44921
   54    53 S   O    _O24    89     1.22311   126.24058    -0.44455
   55    51 S   CT   _C14    49     1.55787   111.81888   -77.94953
   56    55 S   HC   _H37    50     1.09816   107.59256   178.79423
   57    55 S   HC   _H38    51     1.09811   108.54767    65.59017
   58    51 S   CT   _C17    65     1.55546   108.83526   151.51719
   59    58 S   HC   _H41    66     1.09953   108.20612   170.51730
   60    53 S   CT   _C21    90     1.49834   109.53265   179.55238
   61    60 S   HC   _H49    91     1.09299   109.82095   -60.33106
   62    60 S   HC   _H50    92     1.09376   109.36756  -179.35776
   63    60 S   HC   _H51    93     1.09288   109.82618    61.54015
   64    55 S   CM   _C7_    52     1.51657   118.01448   -55.93851
   65    58 S   CM   _C8_    67     1.50469   115.26681   -71.21582
   66    64 S   CM   _C5_    53     1.35088   120.04064  -109.99429
   67    66 S   HC   _H32    54     1.08992   118.26579    -3.51313
   68    65 S   CO4  _C9_    68     1.47870   108.95562   150.60456
   69    68 S   O    _O23    69     1.21752   127.13052   168.82009
   70    65 S   CM   _C10    71     1.33665   130.97591   -28.81682
   71    70 S   HC   _H33    72     1.08301   121.73674    -1.24458
   72    70 S   HC   _H34    73     1.08573   121.60171   179.63096
   73    64 S   CT   _C20    80     1.50494   115.88719    69.00827
   74    73 S   HC   _H46    81     1.09264   111.07785   -77.09935
   75    73 S   HC   _H47    82     1.09265   112.89971   161.32098
   76    73 S   HC   _H48    83     1.09551   110.18680    43.05421
   77    66 S   CT   _C16    55     1.51320   126.33615   163.71645
   78    77 S   HC   _H40    56     1.09310   111.97298    25.23752
   79    92 S   OS   _O26    70     1.43739   107.54896   113.72217
   80    77 S   CT   _C13    57     1.55368   110.67050   -97.33045
   81    80 S   HC   _H35    58     1.09904   109.58514   -74.26472
   82    80 S   HC   _H36    59     1.09720   109.88345   171.25902
   83    77 S   OH   _O27    78     1.42511   108.05078   142.89132
   84    83 S   HO   _H59    79     0.97234   107.43522   178.91899
   85    80 S   CM   _C6_    60     1.52013   111.23521    48.35916
   86    85 S   CM   _C4_    61     1.34870   117.85750   -86.08985
   87    86 S   HC   _H31    62     1.09061   117.45487   -11.20715
   88    85 S   CT   _C19    74     1.50022   115.88203    86.41437
   89    88 S   HC   _H43    75     1.09358   110.94434   -57.09887
   90    88 S   HC   _H44    76     1.09268   113.06188  -178.75920
   91    88 S   HC   _H45    77     1.09535   109.63117    62.12451
   92    86 S   CT   _C15    63     1.49848   127.72524   157.74568
   93    92 S   HC   _H39    64     1.09486   111.93294    -3.91672
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   7   3   2
  10   6  16   8   5   4  14   5   4  14   7   3   2   1   1  10
   9  13   5   8   3   4   1   1   4   2   1   1   9   6   5  12
   5   4   2   1   8   7   3   4   2   1   1   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    42    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    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    51    46    47    48    50    53  
   44    45    49    46    47    48    50  
   45    49    51    52    55    58    46    47    48    50  
   49    51    46  
   47    48    50    53    54    60    49  
   48    50    53  
   50    53  
   51    52    55    56    57    64    92    58    59    65  
   53    54    60    61    62    63  
   52    55    56    57    64    66    86    92    93    58    59    65    68    79    70    73  
   55    56    57    64    92    58    59    65  
   54    60    61    62    63  
   60    61    62    63  
   56    57    64    66    67    77    92    58    59    65    73    74    75    76  
   57    64    66    58    73  
   64    66    58    73  
   59    65    68    69    79    70    71    72    64    85    86    87    92    93  
   65    68    79    70    86    92    93  
   61    62    63  
   62    63  
   63  
    0  
   66    67    77    78    80    83    73    74    75    76  
   68    69    79    70    71    72    86    92    93  
   67    77    78    80    81    82    85    83    84    73    74    75    76  
   77    78    80    83    73  
   69    79    70    71    72    86    92    93  
   79    70    92  
   71    72    79    92  
   72  
    0  
   74    75    76    77  
   75    76  
   76  
    0  
   78    80    81    82    85    86    88    83    84  
   80    81    82    85    83    84  
   85    86    87    92    93  
   81    82    85    86    87    92    88    89    90    91    83    84  
   82    85    86    88    83  
   85    86    88    83  
   84    85  
    0  
   86    87    92    93    88    89    90    91  
   87    92    93    88    89    90    91  
   92    93    88  
   89    90    91    92  
   90    91  
   91  
    0  
   93  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   86   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.030000   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   317.000  1.510
   64    66   549.000  1.340
   64    73   317.000  1.510
   66    67   340.000  1.080
   66    77   317.000  1.510
   77    78   340.000  1.090
   77    80   268.000  1.529
   77    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   317.000  1.510
   85    86   549.000  1.340
   85    88   317.000  1.510
   86    87   340.000  1.080
   86    92   317.000  1.510
   92    93   340.000  1.090
   92    58   268.000  1.529
   92    79   320.000  1.410
   58    59   340.000  1.090
   58    65   317.000  1.510
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    79   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    51    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    51    52    35.00000  109.50000
   49    51    55    50.00000  109.50000
   49    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    64    70.00000  112.02700
   51    58    92    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    65    70.00000  112.02700
   55    51    52    37.50000  110.70000
   55    64    66    70.00000  124.00000
   55    64    73    65.00000  117.92700
   57    55    56    33.00000  107.80000
   64    55    56    35.00000  109.50000
   64    55    57    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    77    70.00000  124.00000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   66    77    78    35.00000  109.50000
   66    77    80    70.00000  112.02700
   66    77    83    90.00000  110.39200
   77    66    67    35.00000  117.00000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    85    70.00000  112.02700
   77    83    84    55.00000  108.50000
   80    77    78    37.50000  110.70000
   80    85    86    70.00000  124.00000
   80    85    88    65.00000  117.92700
   82    80    81    33.00000  107.80000
   85    80    81    35.00000  109.50000
   85    80    82    35.00000  109.50000
   85    86    87    35.00000  120.00000
   85    86    92    70.00000  124.00000
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   86    92    93    35.00000  109.50000
   86    92    58    70.00000  112.02700
   86    92    79    85.00000  110.90400
   92    86    87    35.00000  117.00000
   92    58    59    37.50000  110.70000
   92    58    65    70.00000  112.02700
   92    79    68    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    92    93    37.50000  110.70000
   58    65    68    65.00000  116.34900
   58    65    70    70.00000  124.00000
   65    58    59    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    79    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   79    92    93    35.00000  109.50000
   79    92    58    50.00000  109.50000
   79    68    69    83.00000  123.40000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   88    85    86    70.00000  124.00000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    80    50.00000  109.50000
   73    64    66    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    53    83.00000  116.90000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
   50    53    54    83.00000  123.40000
   50    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   60    53    54    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.62750  1.0 1.0
   33    42    46    50  -0.30950 -1.0 2.0
   33    42    46    50   0.27300  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    51   1.63150  1.0 1.0
   42    44    49    51   2.92000 -1.0 2.0
   42    46    50    53  -0.25900  1.0 1.0
   42    46    50    53  -0.47000 -1.0 2.0
   42    46    50    53   0.11750  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    51    52   0.08050  1.0 3.0
   44    49    51    55  -0.25900  1.0 1.0
   44    49    51    55  -0.47000 -1.0 2.0
   44    49    51    55   0.11750  1.0 3.0
   44    49    51    58  -0.25900  1.0 1.0
   44    49    51    58  -0.47000 -1.0 2.0
   44    49    51    58   0.11750  1.0 3.0
   45    44    49    51   3.00000 -1.0 2.0
   49    51    55    56   0.23400  1.0 3.0
   49    51    55    57   0.23400  1.0 3.0
   49    51    55    64   0.61850  1.0 1.0
   49    51    55    64  -0.22750 -1.0 2.0
   49    51    55    64   0.15300  1.0 3.0
   49    51    58    92   0.62750  1.0 1.0
   49    51    58    92  -0.30950 -1.0 2.0
   49    51    58    92   0.27300  1.0 3.0
   49    51    58    59   0.23400  1.0 3.0
   49    51    58    65   0.61850  1.0 1.0
   49    51    58    65  -0.22750 -1.0 2.0
   49    51    58    65   0.15300  1.0 3.0
   51    55    64    66   0.09850  1.0 1.0
   51    55    64    66   0.15250 -1.0 2.0
   51    55    64    66  -0.50650  1.0 3.0
   51    55    64    73   0.46850  1.0 1.0
   51    55    64    73   0.08550 -1.0 2.0
   51    55    64    73   0.09800  1.0 3.0
   51    58    65    68   0.09700  1.0 1.0
   51    58    65    68   0.15600 -1.0 2.0
   51    58    65    68  -0.50800  1.0 3.0
   51    58    65    70   0.09850  1.0 1.0
   51    58    65    70   0.15250 -1.0 2.0
   51    58    65    70  -0.50650  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    64   0.15000  1.0 3.0
   52    51    58    92   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    65   0.15000  1.0 3.0
   55    51    58    92   0.56750  1.0 1.0
   55    51    58    92  -0.07550 -1.0 2.0
   55    51    58    92   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    65   0.34400  1.0 1.0
   55    51    58    65   0.09450 -1.0 2.0
   55    51    58    65   0.11100  1.0 3.0
   55    64    66    67   7.00000 -1.0 2.0
   55    64    66    77   7.00000 -1.0 2.0
   55    64    73    74   0.34800  1.0 3.0
   55    64    73    75   0.34800  1.0 3.0
   55    64    73    76   0.34800  1.0 3.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    73   0.34800  1.0 3.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    73   0.34800  1.0 3.0
   64    66    77    78   0.00000  1.0 1.0
   64    66    77    80   0.09850  1.0 1.0
   64    66    77    80   0.15250 -1.0 2.0
   64    66    77    80  -0.50650  1.0 3.0
   64    66    77    83   0.67800  1.0 1.0
   64    66    77    83   0.47050 -1.0 2.0
   64    66    77    83  -0.62500  1.0 3.0
   66    64    73    74   0.00000  1.0 1.0
   66    64    73    75   0.00000  1.0 1.0
   66    64    73    76   0.00000  1.0 1.0
   66    77    80    81   0.15000  1.0 3.0
   66    77    80    82   0.15000  1.0 3.0
   66    77    80    85   0.31000  1.0 1.0
   66    77    80    85   0.14700 -1.0 2.0
   66    77    80    85   0.07550  1.0 3.0
   66    77    83    84  -0.07800  1.0 1.0
   66    77    83    84  -0.21500 -1.0 2.0
   66    77    83    84  -0.03150  1.0 3.0
   67    66    77    78   0.33100  1.0 3.0
   67    66    77    80   0.00000  1.0 1.0
   67    66    77    83   0.00000  1.0 1.0
   77    80    85    86   0.09850  1.0 1.0
   77    80    85    86   0.15250 -1.0 2.0
   77    80    85    86  -0.50650  1.0 3.0
   77    80    85    88   0.46850  1.0 1.0
   77    80    85    88   0.08550 -1.0 2.0
   77    80    85    88   0.09800  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    85   0.15000  1.0 3.0
   78    77    83    84   0.19450  1.0 3.0
   80    77    83    84  -0.11600  1.0 1.0
   80    77    83    84  -0.09450 -1.0 2.0
   80    77    83    84   0.21250  1.0 3.0
   80    85    86    87   7.00000 -1.0 2.0
   80    85    86    92   7.00000 -1.0 2.0
   80    85    88    89   0.34800  1.0 3.0
   80    85    88    90   0.34800  1.0 3.0
   80    85    88    91   0.34800  1.0 3.0
   81    80    85    86   0.00000  1.0 1.0
   81    80    85    88   0.34800  1.0 3.0
   82    80    85    86   0.00000  1.0 1.0
   82    80    85    88   0.34800  1.0 3.0
   85    86    92    93   0.00000  1.0 1.0
   85    86    92    58   0.09850  1.0 1.0
   85    86    92    58   0.15250 -1.0 2.0
   85    86    92    58  -0.50650  1.0 3.0
   85    86    92    79   0.39000  1.0 1.0
   85    86    92    79  -0.05800 -1.0 2.0
   85    86    92    79  -0.55150  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   86    85    88    91   0.00000  1.0 1.0
   86    92    58    51   0.34400  1.0 1.0
   86    92    58    51   0.09450 -1.0 2.0
   86    92    58    51   0.11100  1.0 3.0
   86    92    58    59   0.15000  1.0 3.0
   86    92    58    65   0.31000  1.0 1.0
   86    92    58    65   0.14700 -1.0 2.0
   86    92    58    65   0.07550  1.0 3.0
   86    92    79    68  -0.82050  1.0 1.0
   86    92    79    68   0.00600 -1.0 2.0
   86    92    79    68   0.04400  1.0 3.0
   87    86    92    93   0.33100  1.0 3.0
   87    86    92    58   0.00000  1.0 1.0
   87    86    92    79   0.00000  1.0 1.0
   92    58   -65    68   0.09700  1.0 1.0
   92    58   -65    68   0.15600 -1.0 2.0
   92    58   -65    68  -0.50800  1.0 3.0
   92    58    65    70   0.09850  1.0 1.0
   92    58    65    70   0.15250 -1.0 2.0
   92    58    65    70  -0.50650  1.0 3.0
   93    92    58    51   0.15000  1.0 3.0
   93    92    58    59   0.15000  1.0 3.0
   93    92    58    65   0.15000  1.0 3.0
   93    92    79    68   0.08050  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    64   0.34400  1.0 1.0
   58    51    55    64   0.09450 -1.0 2.0
   58    51    55    64   0.11100  1.0 3.0
   58    92   -79    68  -0.25900  1.0 1.0
   58    92   -79    68  -0.47000 -1.0 2.0
   58    92   -79    68   0.11750  1.0 3.0
   58    65    68    69  -0.64400  1.0 1.0
   58    65    68    69   0.26850 -1.0 2.0
   58    65   -68    79  -0.15000  1.0 1.0
   58    65   -68    79   0.89550 -1.0 2.0
   58    65   -68    79  -0.06900  1.0 3.0
   58    65    70    71   7.00000 -1.0 2.0
   58    65    70    72   7.00000 -1.0 2.0
   59    58    65    68   0.15000  1.0 3.0
   59    58    65    70   0.00000  1.0 1.0
   65    68   -79    92   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   69    68    79    92   3.00000 -1.0 2.0
   79    92    58    51   0.62750  1.0 1.0
   79    92    58    51  -0.30950 -1.0 2.0
   79    92    58    51   0.27300  1.0 3.0
   79    92    58    59   0.23400  1.0 3.0
   79    92   -58    65   0.61850  1.0 1.0
   79    92   -58    65  -0.22750 -1.0 2.0
   79    92   -58    65   0.15300  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    79  -0.56150  1.0 1.0
   70    65    68    79   2.19150 -1.0 2.0
   88    85    86    87   7.00000 -1.0 2.0
   88    85    86    92   7.00000 -1.0 2.0
   83    77    80    81   0.23400  1.0 3.0
   83    77    80    82   0.23400  1.0 3.0
   83    77    80    85   1.05650  1.0 1.0
   83    77    80    85   0.15600 -1.0 2.0
   83    77    80    85   0.53150  1.0 3.0
   73    64    66    67   7.00000 -1.0 2.0
   73    64    66    77   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   46    50    53    54   3.00000 -1.0 2.0
   46    50    53    60   1.63150  1.0 1.0
   46    50    53    60   2.92000 -1.0 2.0
   47    46    50    53   0.08050  1.0 3.0
   48    46    50    53   0.08050  1.0 3.0
   50    53    60    61   0.00000  1.0 1.0
   50    53    60    62   0.00000  1.0 1.0
   50    53    60    63   0.00000  1.0 1.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   54    53    60    63   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
   55    73    64    66   1.10000 -1.0 2.0
   77    67    66    64   1.10000 -1.0 2.0
   80    88    85    86   1.10000 -1.0 2.0
   92    87    86    85   1.10000 -1.0 2.0
   58    68    65    70   1.10000 -1.0 2.0
   65    79    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   50    60    53    54  10.50000 -1.0 2.0
END
