* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    162    246     465
    1     0 S   NP   _N1_     1    28.80690    94.10481   -19.01555
    2     1 S   H    _HN1     2     1.02826    32.33110   140.35151
    3     1 S   H    _H1_     3     1.02773    78.89800   -65.87507
    4     1 S   H    _H2_     4     1.03006   103.88381    40.41223
    5     1 S   CT   _CA1     5     1.50228   137.25129  -176.79216
    6     5 S   HC   _HA1     6     1.09563   105.33458    36.50194
    7     5 S   CO3  _C1_     7     1.53817   112.32313   -83.73739
    8     7 S   O2Z  _O11     8     1.26334   115.04272   -41.61789
    9     7 S   O2Z  _O12     9     1.26242   114.93453   137.64071
   10     5 S   CT   _CB1    10     1.52990   107.22977   154.39592
   11    10 S   HC   HB11    11     1.09815   109.39846   -51.42271
   12    10 S   HC   HB12    12     1.09552   110.05090    64.93107
   13    10 S   CT   _CG1    13     1.52924   113.39388  -173.12773
   14    13 S   HC   HG11    14     1.09535   110.32744   -58.57953
   15    13 S   HC   HG12    15     1.09592   110.33519    60.72794
   16    13 S   C    _CD1    16     1.51901   111.64848  -179.18747
   17    16 S   O    _OE1    17     1.22752   123.01445   -18.08156
   18    16 S   N    _N2_    18     1.38516   111.91191   162.77611
   19    18 S   H    _HN2    19     1.01584   119.02146     0.96631
   20    18 S   CT1  _CA2    20     1.46268   123.50637  -178.25909
   21    20 S   HC   _HA2    21     1.09734   109.39333   -16.16875
   22    20 S   C    _C2_    22     1.53420   107.90679  -131.75083
   23    22 S   O    _O2_    23     1.22993   122.41078  -144.02712
   24    20 S   CT   _CB2    32     1.53562   111.41473   106.16629
   25    24 S   HC   HB21    33     1.09535   109.51887    52.82113
   26    24 S   HC   HB22    34     1.09398   110.15063   171.66372
   27    22 S   N    _N3_    24     1.38562   113.23139    43.22534
   28    27 S   H    _HN3    25     1.01531   118.92279    -0.44631
   29    24 S   S    _SG2    35     1.82811   111.68062   -69.20262
   30    27 S   CT   _CA3    26     1.45445   123.37374   175.09507
   31    30 S   HC   HA31    27     1.09528   109.14232    26.11647
   32    30 S   HC   HA32    28     1.09492   107.14183   143.11689
   33    29 S   CT   _C17    36     1.85806   100.88767   154.32373
   34    33 S   HC   _H3_    37     1.09312   106.77623   -22.00055
   35    30 S   CO3  _C3_    29     1.52937   113.19778   -97.28670
   36    35 S   O2Z  _O31    30     1.26396   115.45089   -43.18650
   37    35 S   O2Z  _O32    31     1.26362   114.94905   137.75453
   38    33 S   CM   _C10    38     1.52236   106.46943    94.19655
   39    38 S   CMA  _C11    39     1.35735   121.54801    87.64446
   40    39 S   OM   _O22    40     1.26441   130.23858  -178.57083
   41    38 S   CT   _C24    79     1.52205   116.48263   -92.36717
   42    41 S   HC   _H51    80     1.09426   110.18344    40.82901
   43    41 S   HC   _H52    81     1.09731   110.92903   156.17323
   44    39 S   CT   _C14    41     1.53546   119.40622     1.65434
   45    44 S   HC   _H35    42     1.09879   107.26180   143.64138
   46    44 S   HC   _H36    43     1.10036   107.82884  -102.55265
   47    41 S   CM   _C13    82     1.50278   112.32254   -80.05224
   48    47 S   HC   _H34    83     1.08624   117.51732    68.89547
   49    44 S   CO   _C20    44     1.55166   118.45760    21.43525
   50    47 S   CM   _C12    84     1.33814   123.96268  -112.07253
   51    50 S   HC   _H32    85     1.08437   120.56482  -179.64946
   52    50 S   HC   _H33    86     1.08471   121.40487     0.90374
   53    33 S   CT   _C19    45     1.56691   117.56989  -142.31557
   54    49 S   OS   _O27    74     1.45073   110.37401   119.09609
   55    53 S   CT   _C18    46     1.54857   117.78009    49.08520
   56    55 S   HC   _H41    47     1.09502   107.05435   156.08958
   57    53 S   OS   _O26    69     1.44918   108.35743   177.94700
   58    54 S   CT   _C23    75     1.42246   115.60400    67.18045
   59    58 S   HC   _H48    76     1.09377   107.74055   174.22348
   60    58 S   HC   _H49    77     1.09290   111.60336    55.85861
   61    58 S   HC   _H50    78     1.09206   111.81935   -67.58264
   62    55 S   CT   _C16    48     1.54210   103.58166   -86.94279
   63    62 S   HC   _H39    49     1.09587   108.86600    97.04422
   64    55 S   CT   _C21    65     1.52811   118.28647    37.47658
   65    64 S   HC   _H42    66     1.09080   112.77129   -63.43637
   66    64 S   HC   _H43    67     1.09535   109.98041   177.19028
   67    64 S   HC   _H44    68     1.09192   112.07429    58.05803
   68    57 S   CT   _C22    70     1.41550   118.14839   -77.25515
   69    68 S   HC   _H45    71     1.09389   107.84177   168.60347
   70    68 S   HC   _H46    72     1.09133   112.47180    49.72474
   71    68 S   HC   _H47    73     1.09286   110.51848   -74.27701
   72    62 S   CA   _C7_    50     1.51650   118.51433  -141.42606
   73    49 S   OS   _O25    64     1.44425   110.46571  -119.89638
   74    72 S   CA   _C4_    51     1.41306   123.26124    32.17217
   75    74 S   HA   _H29    52     1.08605   120.97285     0.95818
   76    74 S   CA   _C5_    53     1.40019   121.43525  -179.77619
   77    76 S   HA   _H30    54     1.08418   120.72855   179.64668
   78    76 S   CA   _C8_    55     1.37675   117.91031    -0.43476
   79    78 S   CA   _C9_    56     1.37237   121.50974    -0.66529
   80    72 S   CA   _C6_    57     1.40838   118.16103  -149.55144
   81    80 S   HA   _H31    58     1.08567   121.00906    -0.23490
   82    79 S   OS   _O24    59     1.36082   112.42138   179.97202
   83    82 S   CO   _C15    60     1.44266   100.88377     0.49968
   84    83 S   HC   _H37    61     1.09609   108.61766  -121.38992
   85    83 S   HC   _H38    62     1.09610   108.68200   120.45890
   86    78 S   OS   _O23    63     1.36016   126.06998   179.70993
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1  15  12   5   9   4   3  10   5   4   4   3
  15   2   1   1  17   8  13   9   7   4   2   1   1  13   5   5
   2   1   1   3   2   1   1  10   2   8   4   7   3   8   7   4
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    53    55    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    49    53    55    56    62    73    64    57    68    54    41    42    43    47  
   38    39    49    53    55    57    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    53    55    57    41    42    43    47    48    50  
   40    44    45    46    49    53    73    54    41    42    43    47  
   44    45    46    49    41  
   42    43    47    48    50    51    52    44    53  
   43    47    48    50  
   47    48    50  
   45    46    49    53    55    62    73    57    54    58  
   46    49    53    73    54  
   49    53    73    54  
   48    50    51    52  
   50    51    52  
   53    55    56    62    63    72    73    64    57    68    54    58    59    60    61  
   51    52  
   52  
    0  
   55    56    62    63    72    73    64    65    66    67    57    68    69    70    71    54    58  
   58    59    60    61    55    57    62    73  
   56    62    63    72    74    80    73    64    65    66    67    57    68  
   62    63    72    73    64    65    66    67    57  
   68    69    70    71    62    64    73  
   59    60    61    73  
   60    61  
   61  
    0  
   63    72    74    75    76    79    80    81    73    64    65    66    67  
   72    74    80    73    64  
   65    66    67    72    73  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   74    75    76    77    78    79    80    81    82    73  
   74    80  
   75    76    77    78    79    80    81    86  
   76    77    78    80  
   77    78    79    80    82    83    86  
   78    79    86  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82  
   83    84    85    86  
   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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   250.000  1.527
   49    53   250.000  1.527
   49    73   320.000  1.380
   49    54   320.000  1.380
   53    55   268.000  1.529
   53    57   320.000  1.410
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    64   268.000  1.529
   62    63   340.000  1.090
   62    72   317.000  1.510
   62    73   320.000  1.410
   72    74   469.000  1.400
   72    80   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    86   450.000  1.364
   79    80   469.000  1.400
   79    82   450.000  1.364
   80    81   367.000  1.080
   82    83   320.000  1.380
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
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  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    53    49    75.00000  109.43000
   33    53    55    58.35000  112.70000
   33    53    57    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    47    70.00000  110.12100
   39    44    45    45.00000  110.52000
   39    44    46    45.00000  110.52000
   39    44    49    70.00000  112.02700
   44    39    40    85.00000  112.85300
   44    49    53    65.00000  112.71400
   44    49    73    90.00000  108.56700
   44    49    54    90.00000  108.56700
   46    44    45    33.00000  107.80000
   49    44    45    45.00000  108.72000
   49    44    46    45.00000  108.72000
   49    53    55    75.00000  109.43000
   49    53    57    90.00000  109.38000
   49    73    62    60.00000  109.50000
   49    54    58    60.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    55    56    37.50000  110.70000
   53    55    62    58.35000  112.70000
   53    55    64    58.35000  112.70000
   53    57    68    60.00000  109.50000
   55    62    63    37.50000  110.70000
   55    62    72    70.00000  112.17500
   55    62    73    50.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   62    55    56    37.50000  110.70000
   62    72    74    70.00000  120.00000
   62    72    80    70.00000  120.00000
   72    62    63    35.00000  109.50000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   72    80    79    63.00000  120.00000
   72    80    81    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    86    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    63.00000  120.00000
   78    79    82    70.00000  120.00000
   78    86    83   100.00000  112.36700
   79    80    81    35.00000  120.00000
   79    82    83   100.00000  112.36700
   80    72    74    63.00000  120.00000
   82    79    80    70.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    92.60000  111.55000
   85    83    84    33.00000  109.50000
   86    78    79    70.00000  120.00000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   73    49    53    90.00000  108.56700
   73    62    63    35.00000  109.50000
   73    62    72    85.00000  111.85700
   64    55    56    37.50000  110.70000
   64    55    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    53    55    50.00000  109.50000
   57    68    69    35.00000  109.50000
   57    68    70    35.00000  109.50000
   57    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    49    53    90.00000  108.56700
   54    49    73    92.60000  111.55000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    47    48    35.00000  117.00000
   41    47    50    70.00000  124.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    55   0.44750  1.0 1.0
   29    33    53    55  -0.17800 -1.0 2.0
   29    33    53    55   0.20200  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    47   0.09700  1.0 1.0
   33    38    41    47   0.15600 -1.0 2.0
   33    38    41    47  -0.50800  1.0 3.0
   33    53    55    56   0.15000  1.0 3.0
   33    53    55    62   0.56750  1.0 1.0
   33    53    55    62  -0.07550 -1.0 2.0
   33    53    55    62   0.20000  1.0 3.0
   33    53    55    64   0.56750  1.0 1.0
   33    53    55    64  -0.07550 -1.0 2.0
   33    53    55    64   0.20000  1.0 3.0
   33    53    57    68   0.06250  1.0 1.0
   33    53    57    68  -0.01100 -1.0 2.0
   33    53    57    68   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   34    33    53    57   0.23400  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    55   0.34400  1.0 1.0
   38    33    53    55   0.09450 -1.0 2.0
   38    33    53    55   0.11100  1.0 3.0
   38    33    53    57   0.61850  1.0 1.0
   38    33    53    57  -0.22750 -1.0 2.0
   38    33    53    57   0.15300  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39    44    46   0.00000  1.0 1.0
   38    39   -44    49   0.09850  1.0 1.0
   38    39   -44    49   0.15250 -1.0 2.0
   38    39   -44    49  -0.50650  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    50  -0.28300  1.0 1.0
   38    41    47    50   0.26700 -1.0 2.0
   38    41    47    50  -0.63300  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    47  -0.28300  1.0 1.0
   39    38    41    47   0.26700 -1.0 2.0
   39    38    41    47  -0.63300  1.0 3.0
   39    44    49    53   0.34400  1.0 1.0
   39    44    49    53   0.09450 -1.0 2.0
   39    44    49    53   0.11100  1.0 3.0
   39    44    49    73   0.61850  1.0 1.0
   39    44    49    73  -0.22750 -1.0 2.0
   39    44    49    73   0.15300  1.0 3.0
   39    44    49    54   0.61850  1.0 1.0
   39    44    49    54  -0.22750 -1.0 2.0
   39    44    49    54   0.15300  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   40    39    44    49   0.09700  1.0 1.0
   40    39    44    49   0.15600 -1.0 2.0
   40    39    44    49  -0.50800  1.0 3.0
   44    49   -53    33   0.56750  1.0 1.0
   44    49   -53    33  -0.07550 -1.0 2.0
   44    49   -53    33   0.20000  1.0 3.0
   44    49    53    55   0.56750  1.0 1.0
   44    49    53    55  -0.07550 -1.0 2.0
   44    49    53    55   0.20000  1.0 3.0
   44    49    53    57   0.62750  1.0 1.0
   44    49    53    57  -0.30950 -1.0 2.0
   44    49    53    57   0.27300  1.0 3.0
   44    49    73    62   0.06250  1.0 1.0
   44    49    73    62  -0.01100 -1.0 2.0
   44    49    73    62   0.28050  1.0 3.0
   44    49    54    58   0.06250  1.0 1.0
   44    49    54    58  -0.01100 -1.0 2.0
   44    49    54    58   0.28050  1.0 3.0
   45    44    49    53   0.15000  1.0 3.0
   45    44    49    73   0.23400  1.0 3.0
   45    44    49    54   0.23400  1.0 3.0
   46    44    49    53   0.15000  1.0 3.0
   46    44    49    73   0.23400  1.0 3.0
   46    44    49    54   0.23400  1.0 3.0
   49    53    55    56   0.15000  1.0 3.0
   49    53   -55    62   3.97050  1.0 1.0
   49    53    55    64   3.97050  1.0 1.0
   49    53    57    68   0.06250  1.0 1.0
   49    53    57    68  -0.01100 -1.0 2.0
   49    53    57    68   0.28050  1.0 3.0
   49    54    58    59   0.37050  1.0 3.0
   49    54    58    60   0.37050  1.0 3.0
   49    54    58    61   0.37050  1.0 3.0
   53    33   -38    39   0.09850  1.0 1.0
   53    33   -38    39   0.15250 -1.0 2.0
   53    33   -38    39  -0.50650  1.0 3.0
   53    33    38    41   0.46850  1.0 1.0
   53    33    38    41   0.08550 -1.0 2.0
   53    33    38    41   0.09800  1.0 3.0
   53    49   -73    62   0.06250  1.0 1.0
   53    49   -73    62  -0.01100 -1.0 2.0
   53    49   -73    62   0.28050  1.0 3.0
   53    49    54    58   0.06250  1.0 1.0
   53    49    54    58  -0.01100 -1.0 2.0
   53    49    54    58   0.28050  1.0 3.0
   53    55    62    63   0.15000  1.0 3.0
   53    55    62    72  -0.03700  1.0 1.0
   53    55    62    72   0.37200 -1.0 2.0
   53    55    62    72  -0.47300  1.0 3.0
   53    55   -62    73   0.62750  1.0 1.0
   53    55   -62    73  -0.30950 -1.0 2.0
   53    55   -62    73   0.27300  1.0 3.0
   53    55    64    65   0.15000  1.0 3.0
   53    55    64    66   0.15000  1.0 3.0
   53    55    64    67   0.15000  1.0 3.0
   53    57    68    69   0.37050  1.0 3.0
   53    57    68    70   0.37050  1.0 3.0
   53    57    68    71   0.37050  1.0 3.0
   55    53    57    68   0.06250  1.0 1.0
   55    53    57    68  -0.01100 -1.0 2.0
   55    53    57    68   0.28050  1.0 3.0
   55    62    72    74   0.04150 -1.0 2.0
   55    62    72    80   0.04150 -1.0 2.0
   55    62   -73    49   0.06250  1.0 1.0
   55    62   -73    49  -0.01100 -1.0 2.0
   55    62   -73    49   0.28050  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    72   0.43200  1.0 3.0
   56    55    62    73   0.23400  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    66   0.15000  1.0 3.0
   56    55    64    67   0.15000  1.0 3.0
   62    55    64    65   0.15000  1.0 3.0
   62    55    64    66   0.15000  1.0 3.0
   62    55    64    67   0.15000  1.0 3.0
   62    72    74    75   3.62500 -1.0 2.0
   62    72    74    76   3.62500 -1.0 2.0
   62    72    80    79   3.62500 -1.0 2.0
   62    72    80    81   3.62500 -1.0 2.0
   63    62    72    74   0.00000  1.0 1.0
   63    62    72    80   0.00000  1.0 1.0
   63    62    73    49   0.37050  1.0 3.0
   72    62    73    49   0.37500  1.0 3.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   74    72    80    79   3.62500 -1.0 2.0
   74    72    80    81   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   74    76    78    86   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    82   3.62500 -1.0 2.0
   76    78    86    83   1.63200 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    86   3.62500 -1.0 2.0
   78    79   -80    72   3.62500 -1.0 2.0
   78    79    80    81   3.62500 -1.0 2.0
   78    79   -82    83   1.63200 -1.0 2.0
   79    78   -86    83   1.63200 -1.0 2.0
   79    82    83    84   0.08050  1.0 3.0
   79    82    83    85   0.08050  1.0 3.0
   79    82   -83    86  -0.25600  1.0 1.0
   79    82   -83    86  -0.40050 -1.0 2.0
   79    82   -83    86   0.34700  1.0 3.0
   80    72    74    75   3.62500 -1.0 2.0
   80    72   -74    76   3.62500 -1.0 2.0
   80    79    82    83   1.63200 -1.0 2.0
   82    79    80    72   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    83   -86    78  -0.25600  1.0 1.0
   82    83   -86    78  -0.40050 -1.0 2.0
   82    83   -86    78   0.34700  1.0 3.0
   84    83    86    78   0.08050  1.0 3.0
   85    83    86    78   0.08050  1.0 3.0
   86    78    79    80   3.62500 -1.0 2.0
   86    78   -79    82   3.62500 -1.0 2.0
   73    49    53    33   0.62750  1.0 1.0
   73    49    53    33  -0.30950 -1.0 2.0
   73    49    53    33   0.27300  1.0 3.0
   73    49   -53    55   0.62750  1.0 1.0
   73    49   -53    55  -0.30950 -1.0 2.0
   73    49   -53    55   0.27300  1.0 3.0
   73    49    53    57   1.11900  1.0 1.0
   73    49    53    57  -1.16350 -1.0 2.0
   73    49    53    57  -0.34150  1.0 3.0
   73    49    54    58  -0.53350  1.0 1.0
   73    49    54    58  -0.78350 -1.0 2.0
   73    49    54    58   0.33750  1.0 3.0
   73    62    72    74   0.64500  1.0 1.0
   73    62    72    74   0.14800 -1.0 2.0
   73    62    72    74   0.20650  1.0 3.0
   73    62    72    80   0.64500  1.0 1.0
   73    62    72    80   0.14800 -1.0 2.0
   73    62    72    80   0.20650  1.0 3.0
   64    55    62    63   0.15000  1.0 3.0
   64    55    62    72  -0.03700  1.0 1.0
   64    55    62    72   0.37200 -1.0 2.0
   64    55    62    72  -0.47300  1.0 3.0
   64    55    62    73   0.62750  1.0 1.0
   64    55    62    73  -0.30950 -1.0 2.0
   64    55    62    73   0.27300  1.0 3.0
   57    53    55    56   0.23400  1.0 3.0
   57    53    55    62   0.62750  1.0 1.0
   57    53    55    62  -0.30950 -1.0 2.0
   57    53    55    62   0.27300  1.0 3.0
   57    53    55    64   0.62750  1.0 1.0
   57    53    55    64  -0.30950 -1.0 2.0
   57    53    55    64   0.27300  1.0 3.0
   54    49    53    33   0.62750  1.0 1.0
   54    49    53    33  -0.30950 -1.0 2.0
   54    49    53    33   0.27300  1.0 3.0
   54    49    53    55   0.62750  1.0 1.0
   54    49    53    55  -0.30950 -1.0 2.0
   54    49    53    55   0.27300  1.0 3.0
   54    49    53    57   1.11900  1.0 1.0
   54    49    53    57  -1.16350 -1.0 2.0
   54    49    53    57  -0.34150  1.0 3.0
   54    49    73    62  -0.53350  1.0 1.0
   54    49    73    62  -0.78350 -1.0 2.0
   54    49    73    62   0.33750  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    47    50    51   7.00000 -1.0 2.0
   41    47    50    52   7.00000 -1.0 2.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    50   0.00000  1.0 1.0
   43    41    47    48   0.33100  1.0 3.0
   43    41    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -1.0 2.0
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
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   74    80    72    62   4.00000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    86    78    76   4.00000 -1.0 2.0
   80    82    79    78   4.00000 -1.0 2.0
   79    81    80    72   1.10000 -1.0 2.0
   41    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
