* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    248     451
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02097    41.36057  -144.20513
    3     1 S   H    _H1_     3     1.02080   102.94914   -40.57007
    4     1 S   H    _H2_     4     1.02093    72.33636    65.18141
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C17    36     1.85631    97.26027   161.83381
   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   CM   _C15    37     1.54866   108.81789   180.00000
   38    33 S   CT   _C19    71     1.54603   107.20174   -61.64089
   39    38 S   HC   _H14    72     1.08393   108.82479    82.14150
   40    38 S   HC   _H15    73     1.08390   108.75915   -37.21654
   41    37 S   N4   _N5_    38     1.36597   118.39967  -128.35139
   42    37 S   CMA  _C16    68     1.34819   121.91254    58.17201
   43    42 S   OM   _O35    69     1.38726   118.67256   179.96574
   44    42 S   OM   _O36    70     1.38563   118.68199    -0.03426
   45    38 S   S    _S2_    74     1.80333   109.66850  -157.52779
   46    41 S   C4   _C14    39     1.35512   137.42515  -162.34441
   47    46 S   O    _O34    40     1.20936   134.35517    -7.13025
   48    41 S   C4T  _C13    43     1.45049   126.01468    16.44468
   49    48 S   HC   _H5_    44     1.09620   113.02409    77.29711
   50    45 S   CRA  _C20    75     1.76782   100.26174   179.98022
   51    46 S   C4T  _C12    41     1.55156    89.81112   168.87079
   52    51 S   HC   _H4_    42     1.09553   112.49429   123.17124
   53    48 S   S    _S1_    45     1.80545   109.79142   -52.18517
   54    50 S   N5B  _N6_    76     1.42590   124.90801   -60.00948
   55    33 S   CT   _C18    46     1.55686   105.24678    53.52458
   56    55 S   HC   _H12    47     1.07019   109.26235   -82.86339
   57    55 S   HC   _H13    48     1.06655   111.64751    39.17269
   58    51 S   N    _N4_    49     1.46226   113.30794  -110.40440
   59    58 S   H    _H11    50     1.00825   118.76921    22.52369
   60    54 S   N5B  _N7_    77     1.50090   102.23233   179.97202
   61    58 S   C    _C11    51     1.37771   122.56790  -157.40379
   62    61 S   O    _O33    52     1.22813   125.88738    -0.01978
   63    60 S   N5A  _N8_    78     1.30120   109.44466    -0.24787
   64    61 S   CT   _C10    53     1.52294   111.67306  -179.14043
   65    64 S   HC   _H3_    54     1.09715   109.20199   -30.82069
   66    50 S   NA   _N9_    79     1.35220   126.83637   119.81857
   67    64 S   CA   _C7_    55     1.51032   111.69377    91.77007
   68    64 S   OH   _O40    66     1.41993   109.31273  -147.73647
   69    68 S   HO   _H18    67     0.97204   106.81008   -62.17100
   70    66 S   CT   _C21    80     1.43757   131.33115    -0.03956
   71    70 S   HC   _H16    81     1.09499   111.19018   135.00674
   72    70 S   HC   _H17    82     1.09538   111.18067    14.70936
   73    67 S   CA   _C6_    56     1.39527   120.07049  -149.99259
   74    73 S   HA   _H8_    57     1.08686   120.46713     0.00000
   75    70 S   SY   _S3_    83     1.78143   110.12351  -105.16922
   76    75 S   OY   _O39    84     1.46187   102.48716  -179.97202
   77    75 S   OY   _O37    85     1.46170   104.10981   -60.45870
   78    75 S   OY   _O38    86     1.46161   104.10320    60.46824
   79    73 S   CA   _C5_    58     1.39505   120.00541   180.00000
   80    79 S   HA   _H7_    59     1.08589   119.95225   179.94065
   81    79 S   CA   _C4_    60     1.39547   119.99509    -0.04846
   82    81 S   HA   _H6_    61     1.08600   119.94325   179.93147
   83    81 S   CA   _C9_    62     1.39431   119.99167     0.03426
   84    83 S   HA   _H10    63     1.08610   119.97826   179.87646
   85    67 S   CA   _C8_    64     1.39547   119.93012    29.95685
   86    85 S   HA   _H9_    65     1.08609   120.51251     0.05595
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   8   8   4   4   4   2   1   1   7   3   3   8   4   5  10
   5   7  11   3   1   6   5   4   8   4   3   2   1   1   6   3
   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    55    56    57    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    55    56    57    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    53    55    56    57    42    43    44    38    39    40    45  
   39    40    45    50    54    66    41    42    53    55    56    57  
   40    45    50    55  
   45    50    55  
   46    47    51    52    48    49    53    55    58    42    43    44  
   43    44    46    48    55  
   44  
    0  
   50    54    60    63    66    70    55  
   47    51    52    48    49    53    58    59    61  
   51    52    48    58  
   49    53    55    56    57    58    59    61    51    52  
   53    55    58    51    52  
   54    60    63    66    70    71    72    75  
   52    53    55    58    59    61    62    64  
   53    58    59    61  
   55    56    57    58  
   60    63    66    70  
   56    57  
   57  
    0  
   59    61    62    64    65    67    68  
   61    62    64  
   63    66    70  
   62    64    65    67    73    85    68    69  
   64    65    67    68  
   66    70    71    72    75  
   65    67    73    74    79    83    85    86    68    69  
   67    73    85    68    69  
   70    71    72    75    76    77    78  
   73    74    79    80    81    83    84    85    86    68    69  
   69    73    85  
    0  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    85    86  
   79    80    81    85  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86  
   83    84    85  
   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   0.167500   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   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   64   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.421900   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   76   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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    55   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    52   340.000  1.090
   51    48   268.000  1.529
   51    58   337.000  1.449
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    61   490.000  1.335
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    73   469.000  1.400
   67    85   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   68    69   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    54   488.000  1.335
   50    66   477.000  1.343
   54    60   290.000  1.379
   60    63   420.000  1.291
   63    66   400.000  1.349
   66    70   320.000  1.443
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   205.000  1.840
   75    76   735.000  1.471
   75    77   735.000  1.471
   75    78   735.000  1.471
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    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    55    53    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    51    52    40.00000  113.37500
   46    51    48   100.00000   86.36000
   46    51    58    75.00000  110.24000
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    53    65.00000  119.05700
   51    58    59    38.00000  118.40000
   51    58    61    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    51    52    37.50000  110.70000
   48    53    55    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    51    52    50.00000  112.01000
   58    51    48    80.00000  110.05700
   58    61    62    80.00000  122.90000
   58    61    64    70.00000  116.60000
   61    58    59    35.00000  119.80000
   61    64    65    35.00000  109.50000
   61    64    67    70.00000  109.44300
   61    64    68    95.00000  109.52300
   64    61    62    80.00000  120.40000
   64    67    73    70.00000  120.00000
   64    67    85    70.00000  120.00000
   64    68    69    55.00000  108.50000
   67    64    65    35.00000  109.50000
   67    73    74    35.00000  120.00000
   67    73    79    63.00000  120.00000
   67    85    83    63.00000  120.00000
   67    85    86    35.00000  120.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   85    67    73    63.00000  120.00000
   85    83    84    35.00000  120.00000
   68    64    65    35.00000  109.50000
   68    64    67    90.00000  112.51600
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    55    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    54    70.00000  126.12900
   45    50    66    70.00000  123.45500
   50    54    60   100.00000  108.10500
   50    66    63    95.00000  110.06400
   50    66    70    60.00000  127.66100
   54    60    63   100.00000  111.97400
   60    63    66   110.00000  106.81600
   63    66    70    75.00000  118.68000
   66    50    54    70.00000  120.00000
   66    70    71    50.00000  108.61900
   66    70    72    50.00000  108.61900
   66    70    75    85.00000  110.00000
   70    75    76   100.00000  108.55000
   70    75    77   100.00000  108.55000
   70    75    78   100.00000  108.55000
   72    70    71    33.00000  107.80000
   75    70    71    45.00000  108.39800
   75    70    72    45.00000  108.39800
   77    75    76   115.00000  120.17200
   78    75    76   115.00000  120.17200
   78    75    77   115.00000  120.17200
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    55    53   0.56750  1.0 1.0
   29    33    55    53  -0.07550 -1.0 2.0
   29    33    55    53   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    55    53   0.56750  1.0 1.0
   37    33    55    53  -0.07550 -1.0 2.0
   37    33    55    53   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    51    52   0.00000  1.0 1.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    58   0.00000  1.0 1.0
   41    48    53    55   0.01700  1.0 1.0
   41    48    53    55  -0.23550 -1.0 2.0
   41    48    53    55   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    53   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    61  -0.42300  1.0 1.0
   46    51    58    61  -0.07000 -1.0 2.0
   46    51    58    61   0.04150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    58   0.30150 -1.0 2.0
   51    48    53    55   0.25150  1.0 1.0
   51    48    53    55  -1.17200 -1.0 2.0
   51    48    53    55   0.53050  1.0 3.0
   51    58    61    62   3.04450 -1.0 2.0
   51    58    61    64   1.49850  1.0 1.0
   51    58    61    64   1.53950 -1.0 2.0
   52    51   -48    41   0.15000  1.0 3.0
   52    51    48    49   0.15000  1.0 3.0
   52    51    48    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    61   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    58    59   0.00000  1.0 1.0
   48    51    58    61  -0.43950  1.0 1.0
   48    51    58    61  -0.08100 -1.0 2.0
   48    51    58    61   0.03350  1.0 3.0
   48    53   -55    33  -0.25000 -1.0 2.0
   48    53   -55    33  -0.01800  1.0 3.0
   48    53    55    56   0.32350  1.0 3.0
   48    53    55    57   0.32350  1.0 3.0
   49    48    53    55   0.00000  1.0 1.0
   55    33   -37    41  -0.93550  1.0 1.0
   55    33   -37    41   0.38900 -1.0 2.0
   55    33   -37    41   0.16950  1.0 3.0
   55    33    37    42   0.09850  1.0 1.0
   55    33    37    42   0.15250 -1.0 2.0
   55    33    37    42  -0.50650  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33    38    45   0.44750  1.0 1.0
   55    33    38    45  -0.17800 -1.0 2.0
   55    33    38    45   0.20200  1.0 3.0
   58    51   -48    41   2.20050  1.0 1.0
   58    51   -48    41   0.63450 -1.0 2.0
   58    51   -48    41  -0.91300  1.0 3.0
   58    51    48    49   0.15000  1.0 3.0
   58    51    48    53   0.00000  1.0 1.0
   58    61    64    65   0.00000  1.0 1.0
   58    61    64    67   0.00000  1.0 1.0
   58    61    64    68   0.00000  1.0 1.0
   59    58    61    62   2.45000 -1.0 2.0
   59    58    61    64   2.45000 -1.0 2.0
   61    64    67    73   0.04300 -1.0 2.0
   61    64    67    85   0.04300 -1.0 2.0
   61    64    68    69   0.91850  1.0 1.0
   61    64    68    69   0.57950  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.30150 -1.0 2.0
   62    61    64    68   0.30150 -1.0 2.0
   64    67    73    74   3.62500 -1.0 2.0
   64    67    73    79   3.62500 -1.0 2.0
   64    67    85    83   3.62500 -1.0 2.0
   64    67    85    86   3.62500 -1.0 2.0
   65    64    67    73   0.00000  1.0 1.0
   65    64    67    85   0.00000  1.0 1.0
   65    64    68    69   0.19450  1.0 3.0
   67    64    68    69   0.31900  1.0 1.0
   67    64    68    69  -0.11800 -1.0 2.0
   67    64    68    69   0.38750  1.0 3.0
   67    73    79    80   3.62500 -1.0 2.0
   67    73    79    81   3.62500 -1.0 2.0
   73    67    85    83   3.62500 -1.0 2.0
   73    67    85    86   3.62500 -1.0 2.0
   73    79    81    82   3.62500 -1.0 2.0
   73    79   -81    83   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81    83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83   -85    67   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   84    83    85    67   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    67    73    74   3.62500 -1.0 2.0
   85    67   -73    79   3.62500 -1.0 2.0
   68    64    67    73   0.14300 -1.0 2.0
   68    64    67    73   0.00300  1.0 3.0
   68    64    67    85   0.14300 -1.0 2.0
   68    64    67    85   0.00300  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    55    53   0.44750  1.0 1.0
   38    33    55    53  -0.17800 -1.0 2.0
   38    33    55    53   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    50    54   0.63150 -1.0 2.0
   38    45    50    66   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    54    60   3.62500 -1.0 2.0
   45    50    66    63   3.62500 -1.0 2.0
   45    50    66    70   3.62500 -1.0 2.0
   50    54   -60    63   3.62500 -1.0 2.0
   50    66    70    71   0.00000  1.0 1.0
   50    66    70    72   0.00000  1.0 1.0
   50    66    70    75   0.68100  1.0 1.0
   50    66    70    75   0.03350 -1.0 2.0
   50    66    70    75   0.36200  1.0 3.0
   54    50   -66    63   3.62500 -1.0 2.0
   54    50    66    70   3.62500 -1.0 2.0
   54    60   -63    66   3.62500 -1.0 2.0
   60    63   -66    50   3.62500 -1.0 2.0
   60    63    66    70   3.62500 -1.0 2.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    72   0.00000  1.0 1.0
   63    66    70    75   0.68100  1.0 1.0
   63    66    70    75   0.03350 -1.0 2.0
   63    66    70    75   0.36200  1.0 3.0
   66    50   -54    60   3.62500 -1.0 2.0
   66    70    75    76  -0.67400  1.0 1.0
   66    70    75    76   0.68950 -1.0 2.0
   66    70    75    76  -0.11550  1.0 3.0
   66    70    75    77  -0.67400  1.0 1.0
   66    70    75    77   0.68950 -1.0 2.0
   66    70    75    77  -0.11550  1.0 3.0
   66    70    75    78  -0.67400  1.0 1.0
   66    70    75    78   0.68950 -1.0 2.0
   66    70    75    78  -0.11550  1.0 3.0
   71    70    75    76   0.26000  1.0 3.0
   71    70    75    77   0.26000  1.0 3.0
   71    70    75    78   0.26000  1.0 3.0
   72    70    75    76   0.26000  1.0 3.0
   72    70    75    77   0.26000  1.0 3.0
   72    70    75    78   0.26000  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
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   59    61    58    51   1.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   73    85    67    64   4.00000 -1.0 2.0
   79    74    73    67   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    67   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   54    66    50    45   4.00000 -1.0 2.0
   63    70    66    50   4.00000 -1.0 2.0
END
