* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063    47.45442   101.73770
    3     1 S   H    _H1_     3     1.02124    65.09627  -103.43441
    4     1 S   H    _H2_     4     1.02121   105.47202     0.37898
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C10    36     1.81908    98.12235   -78.19905
   34    33 S   HC   _H4_    37     1.13464   104.73782    59.39505
   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   CT   _C11    38     1.52128   113.92111   -60.03912
   39    38 S   HC   _H5_    39     1.03971   112.50255    78.20088
   40    38 S   CT   _C12    40     1.52371   102.07110  -160.35041
   41    40 S   HC   _H6_    41     1.08751   111.85338   150.42888
   42    38 S   OH   _O45    89     1.42670   111.59987   -46.28504
   43    42 S   HO   _H22    90     0.97330   107.31041  -180.00000
   44    40 S   OS   _O33    42     1.44176   105.84857    32.65388
   45    40 S   CT   _C13    59     1.52270   113.43716   -85.88983
   46    45 S   HC   _H15    60     1.09173   110.30710   179.97202
   47    45 S   HC   _H16    61     1.09266   110.31700    59.06324
   48    33 S   CO   _C9_    43     1.52901   114.11281  -176.62710
   49    48 S   HC   _H3_    44     1.10374   112.98212    34.79051
   50    45 S   OS   _O34    62     1.41821   108.79554   -60.45983
   51    48 S   N*   _N5_    45     1.47006   109.33931   -81.37464
   52    50 S   P2   _P1_    63     1.63547   119.19529   180.00000
   53    52 S   O2Z  _O36    64     1.51272   108.21310   180.00000
   54    52 S   O2Z  _O35    65     1.51402   109.46588    46.58472
   55    51 S   CRAB _C6_    46     1.54596   123.23116   -88.66139
   56    55 S   HA   _H12    47     1.09959   124.16950     0.02798
   57    52 S   OS   _O37    66     1.63369    99.19549   -67.12999
   58    55 S   NNA  _N6_    48     1.29751   111.21796   179.98022
   59    57 S   P2   _P2_    67     1.63379   129.91692  -179.96044
   60    59 S   O2Z  _O39    68     1.51314   108.35124    67.18464
   61    59 S   O2Z  _O38    69     1.51318   108.73384   -65.75738
   62    58 S   C56B _C7_    49     1.38225   104.10212     0.03956
   63    59 S   OS   _O40    70     1.63614    99.20070   179.95577
   64    62 S   CA   _C8_    50     1.34431   130.12254  -180.00000
   65    63 S   CT   _C14    71     1.41846   119.15240    67.10162
   66    65 S   HC   _H17    72     1.09411   108.77334   -59.38060
   67    65 S   HC   _H18    73     1.09439   108.76590    59.38508
   68    64 S   NB   _N7_    51     1.39215   118.21866   179.97202
   69    64 S   NND  _N8_    56     1.37329   120.05786    -0.05234
   70    69 S   H    _H13    57     0.99291   118.14994     0.02798
   71    69 S   H    _H14    58     0.99235   118.18151   179.96044
   72    65 S   CT   _C15    74     1.51732   108.98284  -179.96574
   73    72 S   HC   _H7_    75     1.09682   108.77771    63.62723
   74    68 S   CQ   _C4_    52     1.30159   120.46593    -0.02798
   75    74 S   HA   _H11    53     1.10183   118.59066  -179.97202
   76    72 S   CT   _C16    76     1.52051   113.38281   -60.47080
   77    76 S   HC   _H8_    77     1.09694   110.83020   -36.90468
   78    74 S   NB   _N4_    54     1.33457   129.98888     0.00000
   79    76 S   CT   _C17    78     1.51558   101.71188  -153.56960
   80    79 S   HC   _H9_    79     1.09343   112.61209   162.30651
   81    76 S   OH   _O44    87     1.41164   112.01336    84.93871
   82    81 S   HO   _H21    88     0.97391   107.24175   174.40290
   83    51 S   C56A _C5_    55     1.23026   130.73931    91.37921
   84    79 S   CO   _C18    80     1.52123   101.20513    39.20588
   85    84 S   HC   _H10    81     1.09479   112.78294  -151.77337
   86    79 S   OH   _O43    85     1.42416   109.87437   -76.36721
   87    86 S   HO   _H20    86     0.97028   106.61429  -179.97202
   88    72 S   OS   _O41    82     1.43951   109.69101  -178.51773
   89    84 S   OH   _O42    83     1.42314   109.06098    86.55862
   90    89 S   HO   _H19    84     0.97063   106.72158   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   6   3   5   6   7   3   2   8   7   8
  10   5   4   7   4   1   1  12   6   3   2  11   7   1  10   7
   4   1   1   6   4   3   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    83    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    83    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    62    78    83  
   51    55    83  
   52    53    54    57    59  
   55    56    58    62    64    74    78    83  
   53    54    57    59    60    61    63  
   54    57    59  
   57    59  
   56    58    62    64    78    83  
   58    62    83  
   59    60    61    63    65  
   62    64    68    78    83    69  
   60    61    63    65    66    67    72  
   61    63    65  
   63    65  
   64    68    74    78    83    69    70    71  
   65    66    67    72    73    76    88  
   68    74    75    78    83    69    70    71  
   66    67    72    73    76    77    79    84    88    81  
   67    72    73    76    88  
   72    73    76    88  
   74    75    78    83    69    70    71  
   70    71    74    83  
   71  
    0  
   73    76    77    79    80    84    85    88    89    86    81    82  
   76    77    79    84    88    81  
   75    78    83  
   78    83  
   77    79    80    84    85    88    89    86    87    81    82  
   79    80    84    88    86    81    82  
   83  
   80    84    85    88    89    90    86    87    81    82  
   84    85    88    89    86    87    81  
   82    84    86    88  
    0  
    0  
   85    88    89    90    86    87  
   88    89    90    86  
   87    88    89  
    0  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   440.000  1.371
   51    83   436.000  1.374
   55    56   367.000  1.080
   55    58   529.000  1.304
   58    62   414.000  1.391
   62    64   469.000  1.404
   62    83   447.000  1.419
   64    68   483.000  1.339
   64    69   481.000  1.340
   68    74   502.000  1.324
   74    75   367.000  1.080
   74    78   502.000  1.324
   78    83   461.000  1.354
   69    70   434.000  1.010
   69    71   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    88   320.000  1.410
   76    77   340.000  1.090
   76    79   268.000  1.529
   76    81   320.000  1.410
   79    80   340.000  1.090
   79    84   250.000  1.527
   79    86   320.000  1.410
   84    85   340.000  1.090
   84    88   320.000  1.380
   84    89   380.000  1.407
   89    90   553.000  0.945
   86    87   553.000  0.945
   81    82   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  128.80000
   48    51    83    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  123.05000
   51    55    58    70.00000  113.90000
   51    83    62    70.00000  106.20000
   51    83    78    70.00000  126.20000
   55    58    62    70.00000  103.80000
   58    55    56    35.00000  123.05000
   58    62    64    70.00000  132.40000
   58    62    83    70.00000  110.40000
   62    64    68    70.00000  117.30000
   62    64    69    70.00000  123.50000
   62    83    78    70.00000  127.70000
   64    68    74    70.00000  118.60000
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   68    74    75    35.00000  115.45000
   68    74    78    70.00000  129.10000
   74    78    83    70.00000  111.00000
   78    74    75    35.00000  115.45000
   83    51    55    70.00000  105.40000
   83    62    64    85.00000  116.20000
   69    64    68    70.00000  119.30000
   71    69    70    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    59    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    59    60   100.00000  108.23000
   57    59    61   100.00000  108.23000
   57    59    63    45.00000  102.60000
   59    63    65   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    72    50.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    76    58.35000  112.70000
   65    72    88    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    79    58.35000  112.70000
   72    76    81    50.00000  109.50000
   72    88    84    60.00000  109.50000
   76    72    73    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    84    75.00000  109.43000
   76    79    86    50.00000  109.50000
   76    81    82    55.00000  108.50000
   79    76    77    37.50000  110.70000
   79    84    85    45.00000  112.01100
   79    84    88    90.00000  108.56700
   79    84    89    90.00000  110.19100
   79    86    87    55.00000  108.50000
   84    79    80    45.00000  108.72000
   84    89    90    70.00000  107.92000
   88    72    73    35.00000  109.50000
   88    72    76    50.00000  109.50000
   88    84    85    35.00000  109.50000
   89    84    85    60.00000  108.02500
   89    84    88   110.00000  112.08000
   86    79    80    35.00000  109.50000
   86    79    84    90.00000  111.58700
   81    76    77    35.00000  109.50000
   81    76    79    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   1.10250  1.0 1.0
   33    48    51    55   0.01650 -1.0 2.0
   33    48    51    55   0.39100  1.0 3.0
   33    48    51    83   1.10250  1.0 1.0
   33    48    51    83   0.01650 -1.0 2.0
   33    48    51    83   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55   0.10350  1.0 1.0
   44    48    51    55  -0.15350 -1.0 2.0
   44    48    51    83   0.10350  1.0 1.0
   44    48    51    83  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   48    51    83    62   0.81400  1.0 1.0
   48    51    83    62   1.55550 -1.0 2.0
   48    51    83    78   3.62500 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    83   0.00000  1.0 1.0
   51    55   -58    62   3.62500 -1.0 2.0
   55    51   -83    62   0.70250  1.0 1.0
   55    51   -83    62   1.56150 -1.0 2.0
   55    51    83    78   3.62500 -1.0 2.0
   55    58    62    64   3.62500 -1.0 2.0
   55    58   -62    83   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    64    69   3.62500 -1.0 2.0
   58    62   -83    51   3.62500 -1.0 2.0
   58    62    83    78   3.62500 -1.0 2.0
   62    64    68    74   3.62500 -1.0 2.0
   62    64    69    70   0.70000 -1.0 2.0
   62    64    69    71   0.70000 -1.0 2.0
   64    62    83    51   3.00000 -1.0 2.0
   64    62    83    78   3.62500 -1.0 2.0
   64    68    74    75   3.62500 -1.0 2.0
   64    68   -74    78   3.62500 -1.0 2.0
   68    64    69    70   0.70000 -1.0 2.0
   68    64    69    71   0.70000 -1.0 2.0
   68    74    78    83   3.62500 -1.0 2.0
   74    78    83    51   3.62500 -1.0 2.0
   74    78   -83    62   3.62500 -1.0 2.0
   75    74    78    83   3.62500 -1.0 2.0
   83    51    55    56   3.62500 -1.0 2.0
   83    51   -55    58   3.62500 -1.0 2.0
   83    62   -64    68   3.62500 -1.0 2.0
   83    62    64    69   3.62500 -1.0 2.0
   69    64    68    74   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   52    57    59    60   0.50000  1.0 3.0
   52    57    59    61   0.50000  1.0 3.0
   52    57    59    63   0.15000  1.0 3.0
   53    52    57    59   0.50000  1.0 3.0
   54    52    57    59   0.50000  1.0 3.0
   57    59    63    65   0.05050  1.0 1.0
   57    59    63    65  -1.30700 -1.0 2.0
   57    59    63    65   0.91550  1.0 3.0
   59    63    65    66   0.03000  1.0 3.0
   59    63    65    67   0.03000  1.0 3.0
   59    63    65    72  -2.65550  1.0 1.0
   59    63    65    72  -0.22350 -1.0 2.0
   59    63    65    72   0.24150  1.0 3.0
   60    59    63    65   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   63    65    72    73   0.23400  1.0 3.0
   63    65    72    76   0.62750  1.0 1.0
   63    65    72    76  -0.30950 -1.0 2.0
   63    65    72    76   0.27300  1.0 3.0
   63    65    72    88   1.11900  1.0 1.0
   63    65    72    88  -1.16350 -1.0 2.0
   63    65    72    88  -0.34150  1.0 3.0
   65    72    76    77   0.15000  1.0 3.0
   65    72    76    79   0.56750  1.0 1.0
   65    72    76    79  -0.07550 -1.0 2.0
   65    72    76    79   0.20000  1.0 3.0
   65    72    76    81   0.86500  1.0 1.0
   65    72    76    81  -0.17500 -1.0 2.0
   65    72    76    81   0.20800  1.0 3.0
   65    72    88    84   0.06250  1.0 1.0
   65    72    88    84  -0.01100 -1.0 2.0
   65    72    88    84   0.28050  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    76   0.15000  1.0 3.0
   66    65    72    88   0.23400  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    76   0.15000  1.0 3.0
   67    65    72    88   0.23400  1.0 3.0
   72    76    79    80   0.15000  1.0 3.0
   72    76   -79    84   3.97050  1.0 1.0
   72    76    79    86   0.86500  1.0 1.0
   72    76    79    86  -0.17500 -1.0 2.0
   72    76    79    86   0.20800  1.0 3.0
   72    76    81    82  -0.11600  1.0 1.0
   72    76    81    82  -0.09450 -1.0 2.0
   72    76    81    82   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   73    72    76    81   0.23400  1.0 3.0
   73    72    88    84   0.37050  1.0 3.0
   76    72   -88    84   0.06250  1.0 1.0
   76    72   -88    84  -0.01100 -1.0 2.0
   76    72   -88    84   0.28050  1.0 3.0
   76    79    84    85   0.15000  1.0 3.0
   76    79   -84    88   0.62750  1.0 1.0
   76    79   -84    88  -0.30950 -1.0 2.0
   76    79   -84    88   0.27300  1.0 3.0
   76    79    84    89   0.86500  1.0 1.0
   76    79    84    89  -0.17500 -1.0 2.0
   76    79    84    89   0.20800  1.0 3.0
   76    79    86    87  -0.11600  1.0 1.0
   76    79    86    87  -0.09450 -1.0 2.0
   76    79    86    87   0.21250  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    84   0.15000  1.0 3.0
   77    76    79    86   0.23400  1.0 3.0
   77    76    81    82   0.19450  1.0 3.0
   79    76    81    82  -0.11600  1.0 1.0
   79    76    81    82  -0.09450 -1.0 2.0
   79    76    81    82   0.21250  1.0 3.0
   79    84   -88    72   0.06250  1.0 1.0
   79    84   -88    72  -0.01100 -1.0 2.0
   79    84   -88    72   0.28050  1.0 3.0
   79    84    89    90  -0.11600  1.0 1.0
   79    84    89    90  -0.09450 -1.0 2.0
   79    84    89    90   0.21250  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    88   0.23400  1.0 3.0
   80    79    84    89   0.23400  1.0 3.0
   80    79    86    87   0.19450  1.0 3.0
   84    79    86    87  -0.11600  1.0 1.0
   84    79    86    87  -0.09450 -1.0 2.0
   84    79    86    87   0.21250  1.0 3.0
   85    84    88    72   0.37050  1.0 3.0
   85    84    89    90   0.19450  1.0 3.0
   88    72    76    77   0.23400  1.0 3.0
   88    72   -76    79   0.62750  1.0 1.0
   88    72   -76    79  -0.30950 -1.0 2.0
   88    72   -76    79   0.27300  1.0 3.0
   88    72    76    81   3.69350  1.0 1.0
   88    72    76    81  -1.82950 -1.0 2.0
   88    84    89    90  -0.50000  1.0 1.0
   88    84    89    90  -0.73950 -1.0 2.0
   88    84    89    90   0.17150  1.0 3.0
   89    84    88    72  -0.70900  1.0 1.0
   89    84    88    72  -1.18000 -1.0 2.0
   89    84    88    72   0.91650  1.0 3.0
   86    79    84    85   0.23400  1.0 3.0
   86    79    84    88   3.69350  1.0 1.0
   86    79    84    88  -1.82950 -1.0 2.0
   86    79    84    89   3.75450  1.0 1.0
   81    76    79    80   0.23400  1.0 3.0
   81    76    79    84   0.86500  1.0 1.0
   81    76    79    84  -0.17500 -1.0 2.0
   81    76    79    84   0.20800  1.0 3.0
   81    76    79    86   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   55    83    51    48   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   64    83    62    58   4.00000 -1.0 2.0
   68    69    64    62   4.00000 -1.0 2.0
   78    75    74    68   1.10000 -1.0 2.0
   62    78    83    51   4.00000 -1.0 2.0
   71    64    69    70   1.00000 -1.0 2.0
END
