* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    174    262     506
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02117    40.86653   116.77802
    3     1 S   H    _H1_     3     1.02078    72.90834   -93.22654
    4     1 S   H    _H2_     4     1.02085   102.68031    12.67783
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.86833    96.61319  -158.13095
   34    33 S   HC   _H5_    37     1.09789   106.55051    33.62546
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C23    38     1.50959   103.99882   -80.00497
   39    38 S   CM   _C22    39     1.33918   121.47324   -98.69908
   40    38 S   OS   _O36    88     1.38076   115.60698    79.86087
   41    39 S   CM   _C21    40     1.44305   121.07048    -5.52574
   42    41 S   HC   _H27    41     1.08713   116.56813   179.07507
   43    39 S   OH   _O37    86     1.37853   121.62775   177.36693
   44    43 S   HO   _H31    87     0.96368   110.11389   177.11989
   45    40 S   CT   _C25    89     1.40639   112.56549    91.48489
   46    45 S   HC   _H28    90     1.09202   109.53318   179.97202
   47    45 S   HC   _H29    91     1.09252   109.50947    59.16427
   48    45 S   HC   _H30    92     1.09282   108.97060   -60.44207
   49    41 S   CM   _C20    42     1.34803   121.76588   -12.50508
   50    49 S   CT   _C19    43     1.51377   118.79309  -157.95846
   51    50 S   HC   _H4_    44     1.09847   109.30224    -5.39699
   52    33 S   CT   _C7_    58     1.59557   114.22518   154.34481
   53    50 S   CT   _C18    45     1.53514   115.57441  -125.89961
   54    53 S   HC   _H25    46     1.09566   112.35051  -116.61490
   55    53 S   HC   _H26    47     1.09918   107.51217   127.76237
   56    52 S   CT   _C6_    59     1.57129   110.42092  -157.73087
   57    56 S   HC   _H11    60     1.09190   113.54602    58.93666
   58    56 S   HC   _H12    61     1.10019   109.37415   -56.91133
   59    50 S   NP   _N4_    65     1.53354   108.55088   106.61454
   60    59 S   H    _H3_    66     1.02992   104.47124   -63.57668
   61    53 S   CT   _C17    48     1.52592   113.97329     8.25807
   62    61 S   HC   _H23    49     1.09770   107.76956   160.36845
   63    61 S   HC   _H24    50     1.09608   113.15287    44.50341
   64    56 S   CT   _C5_    62     1.54061   113.15225  -177.46186
   65    64 S   HC   _H9_    63     1.09494   109.98945   176.10751
   66    64 S   HC   _H10    64     1.09402   112.76236   -62.09323
   67    59 S   CT   _C4_    67     1.50407   115.06154  -177.22230
   68    67 S   HC   _H6_    68     1.09179   107.78892   -66.21615
   69    67 S   HC   _H7_    69     1.09165   107.79824    53.77373
   70    67 S   HC   _H8_    70     1.09131   107.79169   173.81021
   71    61 S   CA   _C9_    51     1.50757   109.91087   -79.90967
   72    71 S   CA   _C10    52     1.41232   116.78296  -117.37670
   73    72 S   HA   _H13    53     1.08890   119.83520    -2.18695
   74    72 S   CA   _C11    54     1.39196   121.60710   176.94437
   75    74 S   CA   _C12    55     1.38452   119.41874    -0.01978
   76    74 S   OS   _O35    81     1.36072   119.57933  -179.70926
   77    75 S   CA   _C13    56     1.39468   119.72159     0.54357
   78    75 S   OS   _O34    76     1.36348   119.72922   179.83687
   79    76 S   CT   _C16    82     1.42602   117.09598    89.76310
   80    79 S   HC   _H20    83     1.09293   109.55180   179.94065
   81    79 S   HC   _H21    84     1.09342   109.56624    59.13069
   82    79 S   HC   _H22    85     1.09286   108.97961   -60.43048
   83    71 S   CA   _C8_    57     1.41284   123.46203    60.35464
   84    77 S   OS   _O33    71     1.36926   114.87363   177.57440
   85    78 S   CT   _C15    77     1.42599   116.99103   -89.97181
   86    85 S   HC   _H17    78     1.09353   109.47226  -179.95154
   87    85 S   HC   _H18    79     1.09275   109.51413    59.26277
   88    85 S   HC   _H19    80     1.09253   108.99512   -60.43348
   89    84 S   CT   _C14    72     1.42313   116.80364    62.23301
   90    89 S   HC   _H14    73     1.09246   109.49700   180.00000
   91    89 S   HC   _H15    74     1.09301   109.49951    59.26590
   92    89 S   HC   _H16    75     1.09214   108.96988   -60.39302
  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
  17   7   2   1   1  14   9   7  11   4   2   1   3   2   1   1
  17  20   9  15  12   6   5  11   6   5   9   7   8   4   3   7
   2   1   3   2   1   1   8   8   4  11  11   6   8   6   3   2
   1   1   2   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    83    52    56    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    49    50    71    77    83    52    56    57    58    64    43    40    45  
   38    39    49    83    52    56    40  
   36    37  
   37  
    0  
   39    41    42    49    83    52    56    43    44    40    45    46    47    48  
   41    42    49    50    52    43    44    40    45  
   45    46    47    48    41    43    52  
   42    49    50    51    53    83    52    56    59    43    44  
   49    50    52    43  
   44    49  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    61    71    77    83    52    56    57    58    64    59    60    67  
   51    53    54    55    61    62    63    71    83    52    56    64    65    66    59    60    67    68    69    70  
   53    54    55    61    52    64    59    60    67  
   56    57    58    64    65    66    59    84    53    61    71    72    75    77    83  
   54    55    61    62    63    71    72    83    64    59    60    67  
   55    61    62    63    71    59  
   61    62    63    71    59  
   57    58    64    65    66    59    60    67    71    77    83  
   58    64    65    66    59    83  
   64    65    66    59    83  
   60    67    68    69    70    61    64    65    66  
   67    68    69    70    64    65    66  
   62    63    71    72    73    74    77    83  
   63    71    72    83  
   71    72    83  
   65    66    67    68    69    70    83  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    77    83    84    76  
   73    74    75    77    83    78    76    79  
   74    75    83    76  
   75    77    83    84    78    85    76    79    80    81    82  
   77    83    84    89    78    85    86    87    88    76    79  
   79    80    81    82    77    78  
   83    84    89    90    91    92    78    85  
   85    86    87    88    83    84  
   80    81    82  
   81    82  
   82  
    0  
   84    89  
   89    90    91    92  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   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    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    52   268.000  1.529
   38    39   549.000  1.340
   38    40   440.000  1.360
   39    41   380.000  1.444
   39    43   510.000  1.338
   41    42   340.000  1.080
   41    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   367.000  1.471
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   317.000  1.510
   71    72   469.000  1.400
   71    83   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    78   450.000  1.364
   77    83   469.000  1.400
   77    84   450.000  1.364
   83    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    59   367.000  1.471
   59    60   434.000  1.010
   59    67   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   84    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   78    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   43    44   553.000  0.945
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    85.00000  112.85300
   33    52    49    70.00000  112.02700
   33    52    83    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    41    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40    45    90.00000  111.18400
   39    41    42    35.00000  120.00000
   39    41    49    70.00000  123.01800
   39    43    44    70.00000  107.45700
   41    49    50    70.00000  124.00000
   41    49    52    70.00000  124.00000
   49    41    42    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.06800
   49    52    83    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    61    58.35000  112.70000
   50    59    64    75.00000  113.01200
   50    59    60    35.00000  109.50000
   50    59    67    75.00000  113.01200
   53    50    51    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    71    70.00000  112.17500
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    71    72    70.00000  120.00000
   61    71    83    70.00000  120.00000
   63    61    62    33.00000  107.80000
   71    61    62    35.00000  109.50000
   71    61    63    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    83    77    63.00000  120.00000
   71    83    52    70.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    78    70.00000  120.00000
   74    76    79    75.00000  111.00000
   75    77    83    63.00000  120.00000
   75    77    84    70.00000  120.00000
   75    78    85    75.00000  111.00000
   77    83    52    70.00000  120.00000
   77    84    89    75.00000  111.00000
   83    71    72    63.00000  120.00000
   83    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    64    58.35000  112.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    59    80.00000  111.20000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    59    60    35.00000  109.50000
   64    59    67    75.00000  113.01200
   66    64    65    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    80.00000  111.20000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    67    68    35.00000  109.50000
   59    67    69    35.00000  109.50000
   59    67    70    35.00000  109.50000
   67    59    60    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   84    77    83    70.00000  120.00000
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   78    75    77    70.00000  120.00000
   78    85    86    35.00000  109.50000
   78    85    87    35.00000  109.50000
   78    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   76    74    75    70.00000  120.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   43    39    41    80.00000  121.38400
   40    38    39    80.00000  120.01400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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  -0.62250  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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    83   0.56750  1.0 1.0
   29    33    52    83  -0.07550 -1.0 2.0
   29    33    52    83   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    39    41   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    40    45   2.00000 -1.0 2.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    64   0.56750  1.0 1.0
   33    52    56    64  -0.07550 -1.0 2.0
   33    52    56    64   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    83   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.31000  1.0 1.0
   38    33    52    49   0.14700 -1.0 2.0
   38    33    52    49   0.07550  1.0 3.0
   38    33    52    83   0.21200  1.0 1.0
   38    33    52    83   0.16900 -1.0 2.0
   38    33    52    83  -1.15100  1.0 3.0
   38    33    52    56   0.34400  1.0 1.0
   38    33    52    56   0.09450 -1.0 2.0
   38    33    52    56   0.11100  1.0 3.0
   38    39    41    42  -0.18600  1.0 3.0
   38    39   -41    49   0.28850  1.0 1.0
   38    39   -41    49   2.61350 -1.0 2.0
   38    39   -41    49   0.78400  1.0 3.0
   38    39    43    44  -0.66100  1.0 1.0
   38    39    43    44   1.20850 -1.0 2.0
   38    39    43    44  -0.36000  1.0 3.0
   38    40    45    46   0.08050  1.0 3.0
   38    40    45    47   0.08050  1.0 3.0
   38    40    45    48   0.08050  1.0 3.0
   39    38    40    45  -2.26850  1.0 1.0
   39    38    40    45   3.39050 -1.0 2.0
   39    41    49    50   7.00000 -1.0 2.0
   39    41    49    52   7.00000 -1.0 2.0
   41    39    43    44  -0.66100  1.0 1.0
   41    39    43    44   1.20850 -1.0 2.0
   41    39    43    44  -0.36000  1.0 3.0
   41    49    50    51   0.00000  1.0 1.0
   41    49    50    53   0.09850  1.0 1.0
   41    49    50    53   0.15250 -1.0 2.0
   41    49    50    53  -0.50650  1.0 3.0
   41    49    50    59   0.80850  1.0 1.0
   41    49    50    59  -0.47300 -1.0 2.0
   41    49    50    59  -0.52300  1.0 3.0
   41    49   -52    33   0.09850  1.0 1.0
   41    49   -52    33   0.15250 -1.0 2.0
   41    49   -52    33  -0.50650  1.0 3.0
   41    49    52    83   1.44450  1.0 1.0
   41    49    52    83   0.06600 -1.0 2.0
   41    49    52    83   0.29250  1.0 3.0
   41    49    52    56   0.09850  1.0 1.0
   41    49    52    56   0.15250 -1.0 2.0
   41    49    52    56  -0.50650  1.0 3.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    61   0.34400  1.0 1.0
   49    50    53    61   0.09450 -1.0 2.0
   49    50    53    61   0.11100  1.0 3.0
   49    50    59    64   0.08000 -1.0 2.0
   49    50    59    60   0.17350  1.0 3.0
   49    50    59    67   0.08000 -1.0 2.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    64   0.34400  1.0 1.0
   49    52   -56    64   0.09450 -1.0 2.0
   49    52   -56    64   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    83   0.09700  1.0 1.0
   50    49    52    83   0.15600 -1.0 2.0
   50    49    52    83  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    61    62   0.15000  1.0 3.0
   50    53    61    63   0.15000  1.0 3.0
   50    53    61    71  -0.03700  1.0 1.0
   50    53    61    71   0.37200 -1.0 2.0
   50    53    61    71  -0.47300  1.0 3.0
   50    59    67    68   0.15000  1.0 3.0
   50    59    67    69   0.15000  1.0 3.0
   50    59    67    70   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    61   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   51    50    59    60   0.13050  1.0 3.0
   51    50    59    67   0.15000  1.0 3.0
   53    50    59    64   0.47100  1.0 1.0
   53    50    59    60   0.17350  1.0 3.0
   53    50    59    67   0.47100  1.0 1.0
   53    61    71    72   0.04150 -1.0 2.0
   53    61    71    83   0.04150 -1.0 2.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    71   0.43200  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    71   0.43200  1.0 3.0
   61    71    72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   61    71    83    77   3.62500 -1.0 2.0
   61    71    83    52   3.62500 -1.0 2.0
   62    61    71    72   0.00000  1.0 1.0
   62    61    71    83   0.00000  1.0 1.0
   63    61    71    72   0.00000  1.0 1.0
   63    61    71    83   0.00000  1.0 1.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   71    83    52    33   0.04150 -1.0 2.0
   71    83    52    49   0.18050 -1.0 2.0
   71    83    52    56   0.04150 -1.0 2.0
   72    71    83    77   3.62500 -1.0 2.0
   72    71    83    52   3.62500 -1.0 2.0
   72    74   -75    77   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    76    79   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75    77    83   3.62500 -1.0 2.0
   74    75    77    84   3.62500 -1.0 2.0
   74    75    78    85   1.63200 -1.0 2.0
   74    76    79    80   0.08050  1.0 3.0
   74    76    79    81   0.08050  1.0 3.0
   74    76    79    82   0.08050  1.0 3.0
   75    74    76    79   1.63200 -1.0 2.0
   75    77   -83    71   3.62500 -1.0 2.0
   75    77    83    52   3.62500 -1.0 2.0
   75    77    84    89   1.63200 -1.0 2.0
   75    78    85    86   0.08050  1.0 3.0
   75    78    85    87   0.08050  1.0 3.0
   75    78    85    88   0.08050  1.0 3.0
   77    75    78    85   1.63200 -1.0 2.0
   77    83    52    33   0.04150 -1.0 2.0
   77    83    52    49   0.18050 -1.0 2.0
   77    83    52    56   0.04150 -1.0 2.0
   77    84    89    90   0.08050  1.0 3.0
   77    84    89    91   0.08050  1.0 3.0
   77    84    89    92   0.08050  1.0 3.0
   83    71    72    73   3.62500 -1.0 2.0
   83    71   -72    74   3.62500 -1.0 2.0
   83    77    84    89   1.63200 -1.0 2.0
   83    52    56    57   0.43200  1.0 3.0
   83    52    56    58   0.43200  1.0 3.0
   83    52    56    64  -0.03700  1.0 1.0
   83    52    56    64   0.37200 -1.0 2.0
   83    52    56    64  -0.47300  1.0 3.0
   52    33   -38    39   0.09850  1.0 1.0
   52    33   -38    39   0.15250 -1.0 2.0
   52    33   -38    39  -0.50650  1.0 3.0
   52    33    38    40   0.09700  1.0 1.0
   52    33    38    40   0.15600 -1.0 2.0
   52    33    38    40  -0.50800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    53   0.46850  1.0 1.0
   52    49    50    53   0.08550 -1.0 2.0
   52    49    50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    64    65   0.15000  1.0 3.0
   52    56    64    66   0.15000  1.0 3.0
   52    56   -64    59   1.36600  1.0 1.0
   52    56   -64    59  -0.11450 -1.0 2.0
   52    56   -64    59   0.24250  1.0 3.0
   56    64   -59    50   0.47100  1.0 1.0
   56    64    59    60   0.17350  1.0 3.0
   56    64    59    67   0.47100  1.0 1.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    59   0.19200  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    59   0.19200  1.0 3.0
   64    59    67    68   0.15000  1.0 3.0
   64    59    67    69   0.15000  1.0 3.0
   64    59    67    70   0.15000  1.0 3.0
   65    64    59    50   0.15000  1.0 3.0
   65    64    59    60   0.13050  1.0 3.0
   65    64    59    67   0.15000  1.0 3.0
   66    64    59    50   0.15000  1.0 3.0
   66    64    59    60   0.13050  1.0 3.0
   66    64    59    67   0.15000  1.0 3.0
   59    50    53    54   0.19200  1.0 3.0
   59    50    53    55   0.19200  1.0 3.0
   59    50    53    61   1.36600  1.0 1.0
   59    50    53    61  -0.11450 -1.0 2.0
   59    50    53    61   0.24250  1.0 3.0
   60    59    67    68   0.13050  1.0 3.0
   60    59    67    69   0.13050  1.0 3.0
   60    59    67    70   0.13050  1.0 3.0
   84    77    83    71   3.62500 -1.0 2.0
   84    77    83    52   3.62500 -1.0 2.0
   78    75    77    83   3.62500 -1.0 2.0
   78    75    77    84   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    49   0.50950  1.0 1.0
   43    39    41    49   0.56650 -1.0 2.0
   43    39    41    49   0.34050  1.0 3.0
   40    38    39    41   7.00000 -1.0 2.0
   40    38    39    43   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   41    43    39    38   1.10000 -1.0 2.0
   39    42    41    49   1.10000 -1.0 2.0
   50    52    49    41   1.10000 -1.0 2.0
   72    83    71    61   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    78    75    74   4.00000 -1.0 2.0
   83    84    77    75   4.00000 -1.0 2.0
   77    52    83    71   4.00000 -1.0 2.0
END
