* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    255     486
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069    87.80090   -72.62267
    3     1 S   H    _H1_     3     1.02071    92.62437    36.00787
    4     1 S   H    _H2_     4     1.02064    33.06956   157.20938
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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     1.80998    98.53063   161.82262
   34    33 S   HC   _H6_    37     1.08863   109.50706   -43.40827
   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   _C7_    38     1.51014   107.19769  -160.01229
   39    33 S   CT   _C21    83     1.51355   111.07205    79.81695
   40    39 S   HC   _H26    84     1.09551   110.87742    57.75508
   41    39 S   HC   _H27    85     1.09674   112.30575   -63.76997
   42    39 S   HC   _H28    86     1.09588   110.58290   177.01692
   43    38 S   CM   _C8_    39     1.35104   122.11032   -62.23776
   44    38 S   CT   _C6_    66     1.51760   115.23756   123.26210
   45    44 S   HC   _H10    67     1.09377   105.90279    21.53912
   46    44 S   HC   _H11    68     1.08841   112.02023   135.68663
   47    43 S   OS   _O33    40     1.38331   121.83900  -172.32514
   48    43 S   OH   _O38    81     1.38334   119.57349    -1.90732
   49    48 S   HO   _H25    82     0.96005   109.40245  -179.96574
   50    47 S   CT   _C9_    41     1.43696   114.87410  -108.62211
   51    50 S   HC   _H4_    42     1.09788   110.91392    56.74371
   52    50 S   CT   _C10    43     1.52913   113.56728   -72.30798
   53    52 S   HC   _H12    44     1.09629   110.23451   172.50559
   54    52 S   HC   _H13    45     1.09271   115.16630    49.01939
   55    52 S   CT   _C11    46     1.51937   102.80598   -69.99261
   56    55 S   HC   _H14    47     1.09506   110.86770    78.52725
   57    55 S   HC   _H15    48     1.09372   113.75499  -156.73982
   58    55 S   NTX  _N4_    49     1.50791   104.52140   -38.33846
   59    58 S   ONX  _O37    50     1.36690   110.64429  -106.21891
   60    58 S   CT   _C15    51     1.52214   114.11523   128.14058
   61    60 S   HC   _H17    52     1.09134   107.56666   105.58080
   62    60 S   HC   _H18    53     1.08837   109.72674   -14.87565
   63    60 S   CM   _C14    54     1.49553   105.28257  -134.90584
   64    63 S   HC   _H16    55     1.07599   123.53300  -166.73174
   65    63 S   CM   _C13    56     1.33933   111.27284    12.10509
   66    65 S   CT   _C16    57     1.49005   126.24200  -172.32161
   67    66 S   HC   _H19    58     1.10194   110.03216    -8.38740
   68    66 S   HC   _H20    59     1.10059   109.83760   109.91823
   69    50 S   CT   _C12    79     1.54478   109.51230   176.99763
   70    69 S   HC   _H5_    80     1.08814   110.46512  -165.08833
   71    66 S   OS   _O34    60     1.43457   110.26337  -130.67460
   72    71 S   CO4  _C17    61     1.36399   118.28106   116.38702
   73    72 S   O    _O35    62     1.22464   126.06006    -0.61070
   74    72 S   CT   _C18    63     1.53004   109.87200   179.13543
   75    74 S   CT   _C5_    64     1.55934   111.15150    53.57165
   76    75 S   HC   _H3_    65     1.07578   106.67919   -59.87053
   77    74 S   CT   _C19    73     1.53265   107.88157   -71.44883
   78    77 S   HC   _H21    74     1.08784   109.69522  -179.97202
   79    77 S   HC   _H22    75     1.08760   109.72886    59.96803
   80    77 S   HC   _H23    76     1.08856   109.69362   -60.03961
   81    74 S   OH   _O36    77     1.42608   107.09071   172.35050
   82    81 S   HO   _H24    78     0.96634   105.82666    60.06061
   83    75 S   CT   _C4_    69     1.53577   111.92642  -177.46271
   84    83 S   HC   _H7_    70     1.08275   108.87722   -63.03642
   85    83 S   HC   _H8_    71     1.08276   108.89638   177.01286
   86    83 S   HC   _H9_    72     1.08296   108.92069    56.93263
  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
  13   7   2   1   1  16   5   2   1   1  11  14   5   4  12   2
   1  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3
   7   8   4   3   2   1   6  11   4  12  11   6   6   3   2   1
   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    75    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    74    75    76    44    45    46    83    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    75    44    45    46    69    48    49  
   45    46    83    84    85    86    77    81    48    47    72    74    75    76  
   46    83    74    75    76  
   83    74    75    76  
   50    51    52    53    54    55    58    65    69    70    48    49  
   49    50  
    0  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   52    53    54    55    58    65    69    70  
   53    54    55    56    57    58    59    60    65    69    70  
   54    55    56    57    58    69  
   55    56    57    58    69  
   56    57    58    59    60    61    62    63    65    69    70  
   57    58    59    60    69  
   58    59    60    69  
   59    60    61    62    63    64    65    66    69    70  
   60    61    62    63    65    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    77    81  
   73    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.003900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1200   0.397800   2.2900   2.0360   0.003973653   1.685851020
   59   2.9600   0.1700  -0.769500   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.003900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.160500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   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    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   255.000  1.497
   58    59   410.000  1.347
   58    60   255.000  1.497
   58    69   255.000  1.497
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    44   268.000  1.529
   75    83   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   69    70   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    75    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    69    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    69    58    80.00000  107.80000
   50    69    65    70.00000  112.02700
   50    69    70    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  107.80000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59   100.00000  112.40400
   55    58    60    80.00000  109.71000
   55    58    69    80.00000  109.71000
   57    55    56    33.00000  107.80000
   58    55    56    50.00000  105.66800
   58    55    57    50.00000  105.66800
   58    60    61    50.00000  105.66800
   58    60    62    50.00000  105.66800
   58    60    63    75.00000  110.06800
   58    69    65    75.00000  110.06800
   58    69    70    50.00000  105.66800
   60    58    59   100.00000  112.40400
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    63.00000  111.10000
   72    74    77    63.00000  111.10000
   72    74    81    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    44    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    44    45    37.50000  110.70000
   75    44    46    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   44    38    43    70.00000  124.00000
   44    75    76    37.50000  110.70000
   46    44    45    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    44    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    58    59   100.00000  112.40400
   69    58    60    80.00000  109.71000
   69    65    66    65.00000  117.92700
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    75   0.46850  1.0 1.0
   33    38    44    75   0.08550 -1.0 2.0
   33    38    44    75   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    75   0.09850  1.0 1.0
   43    38    44    75   0.15250 -1.0 2.0
   43    38    44    75  -0.50650  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.46850  1.0 1.0
   43    47    50    52   0.09300 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    69  -0.46850  1.0 1.0
   43    47    50    69   0.09300 -1.0 2.0
   43    47    50    69  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    54   0.23400  1.0 3.0
   47    50    52    55   0.62750  1.0 1.0
   47    50    52    55  -0.30950 -1.0 2.0
   47    50    52    55   0.27300  1.0 3.0
   47    50    69    58   1.69300  1.0 1.0
   47    50    69    58  -0.48450 -1.0 2.0
   47    50    69    65   0.61850  1.0 1.0
   47    50    69    65  -0.22750 -1.0 2.0
   47    50    69    65   0.15300  1.0 3.0
   47    50    69    70   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    69    58   0.19200  1.0 3.0
   51    50    69    65   0.15000  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   52    50   -69    58   1.36600  1.0 1.0
   52    50   -69    58  -0.11450 -1.0 2.0
   52    50   -69    58   0.24250  1.0 3.0
   52    50    69    65   0.34400  1.0 1.0
   52    50    69    65   0.09450 -1.0 2.0
   52    50    69    65   0.11100  1.0 3.0
   52    50    69    70   0.15000  1.0 3.0
   52    55    58    59   0.14050  1.0 1.0
   52    55    58    59  -0.22350 -1.0 2.0
   52    55    58    59   0.07400  1.0 3.0
   52    55    58    60  -0.14200  1.0 1.0
   52    55    58    60   0.13450 -1.0 2.0
   52    55    58    60   0.34600  1.0 3.0
   52    55   -58    69  -0.14200  1.0 1.0
   52    55   -58    69   0.13450 -1.0 2.0
   52    55   -58    69   0.34600  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.35400  1.0 3.0
   55    58    60    62   0.35400  1.0 3.0
   55    58    60    63   0.08000 -1.0 2.0
   55    58   -69    50  -0.14200  1.0 1.0
   55    58   -69    50   0.13450 -1.0 2.0
   55    58   -69    50   0.34600  1.0 3.0
   55    58    69    65   0.08000 -1.0 2.0
   55    58    69    70   0.35400  1.0 3.0
   56    55    58    59  -0.15150  1.0 3.0
   56    55    58    60   0.35400  1.0 3.0
   56    55    58    69   0.35400  1.0 3.0
   57    55    58    59  -0.15150  1.0 3.0
   57    55    58    60   0.35400  1.0 3.0
   57    55    58    69   0.35400  1.0 3.0
   58    60    63    64   0.00000  1.0 1.0
   58    60   -63    65   0.80850  1.0 1.0
   58    60   -63    65  -0.47300 -1.0 2.0
   58    60   -63    65  -0.52300  1.0 3.0
   59    58    60    61  -0.15150  1.0 3.0
   59    58    60    62  -0.15150  1.0 3.0
   59    58    60    63   0.13850  1.0 1.0
   59    58    60    63  -0.22050 -1.0 2.0
   59    58    60    63   0.10200  1.0 3.0
   59    58    69    50   0.14050  1.0 1.0
   59    58    69    50  -0.22350 -1.0 2.0
   59    58    69    50   0.07400  1.0 3.0
   59    58    69    65   0.13850  1.0 1.0
   59    58    69    65  -0.22050 -1.0 2.0
   59    58    69    65   0.10200  1.0 3.0
   59    58    69    70  -0.15150  1.0 3.0
   60    58    69    50  -0.14200  1.0 1.0
   60    58    69    50   0.13450 -1.0 2.0
   60    58    69    50   0.34600  1.0 3.0
   60    58   -69    65   0.08000 -1.0 2.0
   60    58    69    70   0.35400  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    50   0.09850  1.0 1.0
   63    65    69    50   0.15250 -1.0 2.0
   63    65    69    50  -0.50650  1.0 3.0
   63    65   -69    58   0.80850  1.0 1.0
   63    65   -69    58  -0.47300 -1.0 2.0
   63    65   -69    58  -0.52300  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    50   0.46850  1.0 1.0
   66    65    69    50   0.08550 -1.0 2.0
   66    65    69    50   0.09800  1.0 3.0
   66    65    69    58   0.52100  1.0 1.0
   66    65    69    58  -0.20350 -1.0 2.0
   66    65    69    58   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.36750  1.0 3.0
   71    72    74    77   0.36750  1.0 3.0
   71    72    74    81   0.30750  1.0 1.0
   71    72    74    81   1.13850 -1.0 2.0
   71    72    74    81   0.38850  1.0 3.0
   72    74    75    76  -0.11250  1.0 3.0
   72    74    75    44  -0.95700  1.0 1.0
   72    74    75    44  -0.18200 -1.0 2.0
   72    74    75    44   0.29450  1.0 3.0
   72    74    75    83  -0.95700  1.0 1.0
   72    74    75    83  -0.18200 -1.0 2.0
   72    74    75    83   0.29450  1.0 3.0
   72    74    77    78  -0.11250  1.0 3.0
   72    74    77    79  -0.11250  1.0 3.0
   72    74    77    80  -0.11250  1.0 3.0
   72    74    81    82   0.91850  1.0 1.0
   72    74    81    82   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    77   0.30150 -1.0 2.0
   73    72    74    81   0.30150 -1.0 2.0
   74    75    44    38   0.34400  1.0 1.0
   74    75    44    38   0.09450 -1.0 2.0
   74    75    44    38   0.11100  1.0 3.0
   74    75    44    45   0.15000  1.0 3.0
   74    75    44    46   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    44    38   0.15000  1.0 3.0
   76    75    44    45   0.15000  1.0 3.0
   76    75    44    46   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    75    83    84   0.15000  1.0 3.0
   44    75    83    85   0.15000  1.0 3.0
   44    75    83    86   0.15000  1.0 3.0
   83    75    44    38   0.34400  1.0 1.0
   83    75    44    38   0.09450 -1.0 2.0
   83    75    44    38   0.11100  1.0 3.0
   83    75    44    45   0.15000  1.0 3.0
   83    75    44    46   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    44   0.56750  1.0 1.0
   77    74    75    44  -0.07550 -1.0 2.0
   77    74    75    44   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    44   0.86500  1.0 1.0
   81    74    75    44  -0.17500 -1.0 2.0
   81    74    75    44   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   69    50    52    53   0.15000  1.0 3.0
   69    50    52    54   0.15000  1.0 3.0
   69    50   -52    55   0.56750  1.0 1.0
   69    50   -52    55  -0.07550 -1.0 2.0
   69    50   -52    55   0.20000  1.0 3.0
   69    58    60    61   0.35400  1.0 3.0
   69    58    60    62   0.35400  1.0 3.0
   69    58   -60    63   0.08000 -1.0 2.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -0.50800  1.0 3.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  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
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
