* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    164    268     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02089    85.22883   -76.43887
    3     1 S   H    _H1_     3     1.02095    94.88378    31.96711
    4     1 S   H    _H2_     4     1.02113    33.72178   148.86926
    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   _C20    36     1.89285    96.54339  -178.15040
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C21    37     1.54467   108.99229   179.98022
   38    33 S   CO4  _C19    67     1.54348   101.58665    59.45000
   39    38 S   O    _O36    68     1.23137   122.47820    63.71570
   40    37 S   CA   _C22    38     1.41839   117.66413    75.61548
   41    40 S   CA   _C23    39     1.40387   120.43742  -177.32058
   42    41 S   HA   _H18    40     1.08540   120.43537   176.16018
   43    40 S   CO   _C10    51     1.50942   118.26276     0.95777
   44    43 S   HC   _H5_    52     1.08832   108.27025   -83.43649
   45    41 S   CA   _C24    41     1.39028   120.39603    -2.27796
   46    43 S   NE   _N4_    53     1.45774   110.81194    36.97199
   47    45 S   CA   _C25    42     1.39030   119.73165     0.25641
   48    47 S   HA   _H19    43     1.09032   119.78705   178.75967
   49    45 S   CT   _C27    47     1.49150   120.19023   178.29429
   50    49 S   HC   _H21    48     1.09699   110.44395    89.96647
   51    49 S   HC   _H22    49     1.09826   111.37708  -149.45127
   52    49 S   HC   _H23    50     1.09833   111.24816   -30.46500
   53    33 S   CM   _C11    54     1.54404   107.07694   -61.60478
   54    46 S   CT1  _C8_    71     1.45452   107.80886   140.14649
   55    54 S   HC   _H4_    72     1.10100   111.40940  -128.71354
   56    37 S   CA   _C26    44     1.40303   124.48621  -104.80940
   57    53 S   CM   _C12    55     1.35373   120.81322   108.90367
   58    54 S   CO4  _C9_    73     1.51152   103.25447   -13.72854
   59    58 S   O    _O33    74     1.22128   125.50209  -174.75021
   60    54 S   CTE  _C6_    76     1.52019   111.42318   103.86314
   61    60 S   HC   _H3_    77     1.09894   108.58876    46.36986
   62    56 S   OH   _O37    45     1.36552   123.00258     5.61028
   63    62 S   HO   _H20    46     0.96775   109.99785   173.15980
   64    57 S   CA   _C13    56     1.47662   122.97405    -1.40667
   65    57 S   OH   _O38    69     1.38241   120.91179   176.37685
   66    65 S   HO   _H24    70     0.96161   109.77740     1.98594
   67    43 S   OS   _O34    75     1.42896   112.28794   156.57712
   68    60 S   CT   _C7_    78     1.53252   109.96934   -71.11782
   69    68 S   HC   _H11    79     1.09516   111.18231   -61.99062
   70    68 S   HC   _H12    80     1.09561   110.69058   177.97841
   71    68 S   HC   _H13    81     1.09441   111.08776    58.45783
   72    60 S   CT   _C5_    82     1.54177   112.67311   166.54714
   73    72 S   HC   _H9_    83     1.09603   110.01937    57.31582
   74    72 S   HC   _H10    84     1.09691   109.30410   -59.56646
   75    64 S   CA   _C14    57     1.39638   120.82955     5.48716
   76    72 S   CT   _C4_    85     1.52228   113.45385   179.77619
   77    76 S   HC   _H6_    86     1.09561   109.97452    56.99852
   78    76 S   HC   _H7_    87     1.09411   111.09248   -62.50721
   79    76 S   HC   _H8_    88     1.09300   111.56209   176.22696
   80    75 S   CA   _C15    58     1.40595   121.00778   178.22778
   81    80 S   HA   _H14    59     1.09256   120.36862   179.79442
   82    80 S   CA   _C16    60     1.39183   120.41626     1.02431
   83    82 S   HA   _H15    61     1.08424   120.09743   179.96044
   84    82 S   CA   _C17    62     1.38736   119.51484     0.52675
   85    84 S   HA   _H16    63     1.08530   119.75516   179.22924
   86    64 S   CA   _C18    64     1.41027   121.74588  -174.06984
   87    86 S   OH   _O35    65     1.37022   121.32942     2.45846
   88    87 S   HO   _H17    66     0.96933   109.97171   179.06539
  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
  17   2   1   1  18  12   4  14  13   4  12   5   8  13   8   3
   4   2   1   1  12  15   7   2   8   6   2  13   8   1   1  11
   3   1   1   7   3   2   1   6   5   4   7   3   2   1   1   6
   3   5   3   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    46    53    57    75    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    56    62    43    46    53    57    64    75    80    38    39    65    54  
   35    36  
   36  
    0  
   40    41    42    45    47    48    56    62    63    43    44    46    53    57    75    38    39    67  
   39    40    46    53    56    57    64    75    80    81    82    86  
   53    64    75    80  
   41    42    45    47    56    62    49    43    44    46    53    54    58    67  
   42    45    47    48    56    49    50    51    52    43    44    46    67  
   45    47    49    43  
   44    46    53    57    54    55    58    59    67    60    45    56  
   46    53    54    58    67  
   47    48    56    62    49    50    51    52  
   53    57    64    65    54    55    58    59    67    60    61    68    72  
   48    56    62    63    49    50    51    52  
   56    62    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    64    75    86    65    66    54    55    58    67    60    56  
   55    58    59    67    60    61    68    69    70    71    72    73    74    76    57  
   58    59    67    60    61    68    72  
   62    63  
   64    75    80    84    86    87    65    66  
   59    67    60    61    68    72  
   67    60  
   61    68    69    70    71    72    73    74    76    77    78    79    67  
   68    69    70    71    72    73    74    76  
   63  
    0  
   75    80    81    82    84    85    86    87    88    65    66  
   66    75    86  
    0  
    0  
   69    70    71    72    73    74    76  
   70    71    72  
   71    72  
   72  
   73    74    76    77    78    79  
   74    76    77    78    79  
   76    77    78    79  
   80    81    82    83    84    86    87  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87    88  
   86    87  
   87    88  
   88  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -0.263000   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    53   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    56   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    62   450.000  1.364
   62    63   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   320.000  1.442
   43    67   320.000  1.380
   46    53   425.000  1.378
   46    54   382.000  1.448
   53    57   549.000  1.340
   57    64   320.000  1.460
   57    65   510.000  1.338
   64    75   469.000  1.400
   64    86   469.000  1.400
   75    80   469.000  1.400
   75    38   310.000  1.470
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   450.000  1.364
   87    88   553.000  0.945
   38    39   570.000  1.229
   65    66   553.000  0.945
   54    55   340.000  1.090
   54    58   255.000  1.522
   54    60   268.000  1.529
   58    59   570.000  1.229
   58    67   214.000  1.327
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    53    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    53    46    75.00000  116.24600
   33    53    57    70.00000  124.00000
   33    38    75    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    56    47    63.00000  120.00000
   37    56    62    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  111.80000
   40    43    67    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    56    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    56    62    70.00000  120.00000
   56    37    40    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    62    63    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    50.00000  121.00000
   43    46    54    50.00000  115.00000
   43    67    58    95.00000  111.08000
   46    43    44    50.00000  108.16000
   46    53    57    70.00000  124.03900
   46    54    55    35.00000  109.50000
   46    54    58    80.00000  111.64100
   46    54    60    80.00000  109.70000
   53    33    37    70.00000  112.99600
   53    57    64    60.00000  123.20500
   53    57    65    80.00000  121.38400
   57    64    75    60.00000  120.93500
   57    64    86    60.00000  120.93500
   57    65    66    70.00000  107.45700
   64    75    80    63.00000  120.00000
   64    75    38    60.00000  119.52600
   64    86    84    63.00000  120.00000
   64    86    87    70.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    82    63.00000  120.00000
   75    38    39    75.00000  123.78400
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    70.00000  120.00000
   86    64    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    87    88    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    70.00000  109.06800
   38    75    80    60.00000  119.52600
   65    57    64    85.00000  114.86500
   54    46    53    50.00000  121.00000
   54    58    59    75.00000  123.42600
   54    58    67    90.00000  109.72300
   54    60    61    37.50000  110.70000
   54    60    68    58.35000  112.70000
   54    60    72    58.35000  112.70000
   58    54    55    45.00000  110.09800
   67    43    44    35.00000  109.50000
   67    43    46    95.00000  112.71300
   67    58    59    83.00000  123.40000
   60    54    55    37.50000  110.70000
   60    54    58    63.00000  111.10000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   60    72    73    37.50000  110.70000
   60    72    74    37.50000  110.70000
   60    72    76    58.35000  112.70000
   68    60    61    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    60    61    37.50000  110.70000
   72    60    68    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    53    46   0.09700  1.0 1.0
   29    33    53    46   0.15600 -1.0 2.0
   29    33    53    46  -0.50800  1.0 3.0
   29    33    53    57   0.42700  1.0 1.0
   29    33    53    57  -0.70350 -1.0 2.0
   29    33    53    57  -0.43150  1.0 3.0
   29    33    38    75   0.65300  1.0 1.0
   29    33    38    75  -0.03850 -1.0 2.0
   29    33    38    75   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    56    47   3.62500 -1.0 2.0
   33    37    56    62   3.62500 -1.0 2.0
   33    53    57    64   7.00000 -1.0 2.0
   33    53    57    65   7.00000 -1.0 2.0
   37    33    53    46  -0.22650  1.0 1.0
   37    33    53    46   0.16900 -1.0 2.0
   37    33    53    46   1.14250  1.0 3.0
   37    33    53    57   1.44450  1.0 1.0
   37    33    53    57   0.06600 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    38    75   0.65300  1.0 1.0
   37    33    38    75  -0.03850 -1.0 2.0
   37    33    38    75   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46  -0.06000  1.0 1.0
   37    40   -43    46   0.30500 -1.0 2.0
   37    40   -43    46   0.09200  1.0 3.0
   37    40    43    67   0.64500  1.0 1.0
   37    40    43    67   0.14800 -1.0 2.0
   37    40    43    67   0.20650  1.0 3.0
   37    56    62    63   0.84100 -1.0 2.0
   40    37    56    47   3.62500 -1.0 2.0
   40    37    56    62   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53  -0.12500  1.0 1.0
   40    43    46    53  -0.12500 -1.0 2.0
   40    43    46    53   0.25000  1.0 3.0
   40    43    46    54   0.00000  1.0 1.0
   40    43    67    58  -0.43900 -1.0 2.0
   40    43    67    58   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46  -0.06000  1.0 1.0
   41    40    43    46   0.30500 -1.0 2.0
   41    40    43    46   0.09200  1.0 3.0
   41    40    43    67   0.64500  1.0 1.0
   41    40    43    67   0.14800 -1.0 2.0
   41    40    43    67   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    56   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -56    37   3.62500 -1.0 2.0
   45    47    56    62   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    56    62    63   0.84100 -1.0 2.0
   48    47    56    37   3.62500 -1.0 2.0
   48    47    56    62   3.62500 -1.0 2.0
   56    37   -40    41   3.62500 -1.0 2.0
   56    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    56   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   1.00000 -1.0 2.0
   43    46    53    57  -0.54700  1.0 1.0
   43    46    53    57   1.23000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46   -54    58   0.00000  1.0 1.0
   43    46    54    60   0.00000  1.0 1.0
   44    43    46    53   0.00000  1.0 1.0
   44    43    46    54   0.00000  1.0 1.0
   44    43    67    58   0.08050  1.0 3.0
   46    43   -67    58  -0.24150  1.0 1.0
   46    43   -67    58  -0.46200 -1.0 2.0
   46    43   -67    58   0.11700  1.0 3.0
   46    53    57    64   7.00000 -1.0 2.0
   46    53    57    65   7.00000 -1.0 2.0
   46    54    58    59   0.00000  1.0 1.0
   46    54   -58    67   0.40000  1.0 3.0
   46    54    60    61   0.23200  1.0 3.0
   46    54    60    68   1.32350  1.0 1.0
   46    54    60    68   0.47700 -1.0 2.0
   46    54    60    68   0.26100  1.0 3.0
   46    54    60    72   1.32350  1.0 1.0
   46    54    60    72   0.47700 -1.0 2.0
   46    54    60    72   0.26100  1.0 3.0
   53    33   -37    40   0.18050 -1.0 2.0
   53    33    37    56   0.18050 -1.0 2.0
   53    33    38    75   0.65300  1.0 1.0
   53    33    38    75  -0.03850 -1.0 2.0
   53    33    38    75   0.33900  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    54    55   0.00000  1.0 1.0
   53    46    54    58  -0.12500  1.0 1.0
   53    46    54    58  -0.12500 -1.0 2.0
   53    46    54    58   0.25000  1.0 3.0
   53    46    54    60   0.25450  1.0 1.0
   53    46    54    60  -0.61700 -1.0 2.0
   53    46    54    60  -0.23550  1.0 3.0
   53    57   -64    75   0.15800  1.0 1.0
   53    57   -64    75   1.85350 -1.0 2.0
   53    57   -64    75  -0.48700  1.0 3.0
   53    57    64    86   0.15800  1.0 1.0
   53    57    64    86   1.85350 -1.0 2.0
   53    57    64    86  -0.48700  1.0 3.0
   53    57    65    66  -0.66100  1.0 1.0
   53    57    65    66   1.20850 -1.0 2.0
   53    57    65    66  -0.36000  1.0 3.0
   57    64    75    80   3.62500 -1.0 2.0
   57    64    75    38   3.62500 -1.0 2.0
   57    64    86    84   3.62500 -1.0 2.0
   57    64    86    87   3.62500 -1.0 2.0
   64    57    65    66   2.00000 -1.0 2.0
   64    75    80    81   3.62500 -1.0 2.0
   64    75    80    82   3.62500 -1.0 2.0
   64    75   -38    33   2.26350  1.0 1.0
   64    75   -38    33   0.76750 -1.0 2.0
   64    75   -38    33   0.22500  1.0 3.0
   64    75    38    39   1.05000 -1.0 2.0
   64    86    87    88   0.84100 -1.0 2.0
   75    64    86    84   3.62500 -1.0 2.0
   75    64    86    87   3.62500 -1.0 2.0
   75    80    82    83   3.62500 -1.0 2.0
   75    80   -82    84   3.62500 -1.0 2.0
   80    75    38    33   2.26350  1.0 1.0
   80    75    38    33   0.76750 -1.0 2.0
   80    75    38    33   0.22500  1.0 3.0
   80    75    38    39   1.05000 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -86    64   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86    87    88   0.84100 -1.0 2.0
   85    84    86    64   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    64   -75    80   3.62500 -1.0 2.0
   86    64    75    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    56   0.04300 -1.0 2.0
   38    33    53    46   0.09700  1.0 1.0
   38    33    53    46   0.15600 -1.0 2.0
   38    33    53    46  -0.50800  1.0 3.0
   38    33   -53    57  -0.51250  1.0 1.0
   38    33   -53    57  -0.88800 -1.0 2.0
   38    33   -53    57   0.08850  1.0 3.0
   38    75    80    81   3.62500 -1.0 2.0
   38    75    80    82   3.62500 -1.0 2.0
   65    57    64    75  -0.01750  1.0 1.0
   65    57    64    75  -0.32000 -1.0 2.0
   65    57    64    75   0.00600  1.0 3.0
   65    57    64    86  -0.01750  1.0 1.0
   65    57    64    86  -0.32000 -1.0 2.0
   65    57    64    86   0.00600  1.0 3.0
   54    46    53    33   1.00000 -1.0 2.0
   54    46    53    57  -0.54700  1.0 1.0
   54    46    53    57   1.23000 -1.0 2.0
   54    58   -67    43   1.63150  1.0 1.0
   54    58   -67    43   2.92000 -1.0 2.0
   54    60    68    69   0.15000  1.0 3.0
   54    60    68    70   0.15000  1.0 3.0
   54    60    68    71   0.15000  1.0 3.0
   54    60    72    73   0.15000  1.0 3.0
   54    60    72    74   0.15000  1.0 3.0
   54    60    72    76   0.65000  1.0 1.0
   54    60    72    76  -0.02500 -1.0 2.0
   54    60    72    76   0.10000  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    67   0.00000  1.0 1.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    68   0.15000  1.0 3.0
   55    54    60    72   0.15000  1.0 3.0
   58    54    60    61  -0.03800  1.0 3.0
   58    54    60    68   0.33900  1.0 1.0
   58    54    60    68   0.63800 -1.0 2.0
   58    54    60    72   0.33900  1.0 1.0
   58    54    60    72   0.63800 -1.0 2.0
   59    58    67    43   3.00000 -1.0 2.0
   67    43    46    53   0.75000  1.0 1.0
   67    43    46    53  -0.75000 -1.0 2.0
   67    43   -46    54   0.00000  1.0 1.0
   60    54    58    59   0.00000  1.0 1.0
   60    54    58    67   0.36750  1.0 3.0
   60    72    76    77   0.15000  1.0 3.0
   60    72    76    78   0.15000  1.0 3.0
   60    72    76    79   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    71   0.15000  1.0 3.0
   61    60    72    73   0.15000  1.0 3.0
   61    60    72    74   0.15000  1.0 3.0
   61    60    72    76   0.15000  1.0 3.0
   68    60    72    73   0.15000  1.0 3.0
   68    60    72    74   0.15000  1.0 3.0
   68    60    72    76   0.65000  1.0 1.0
   68    60    72    76  -0.02500 -1.0 2.0
   68    60    72    76   0.10000  1.0 3.0
   72    60    68    69   0.15000  1.0 3.0
   72    60    68    70   0.15000  1.0 3.0
   72    60    68    71   0.15000  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   40    56    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   56    48    47    45   1.10000 -1.0 2.0
   47    62    56    37   4.00000 -1.0 2.0
   54    53    46    43   1.00000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   64    65    57    53   1.10000 -1.0 2.0
   75    86    64    57   4.00000 -1.0 2.0
   80    38    75    64   4.00000 -1.0 2.0
   82    81    80    75   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    87    86    64   4.00000 -1.0 2.0
   33    75    38    39  10.50000 -1.0 2.0
   54    67    58    59  10.50000 -1.0 2.0
END
