* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    165    253     477
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063   100.75169    18.58494
    3     1 S   H    _H1_     3     1.02097    38.22721   125.17456
    4     1 S   H    _H2_     4     1.02097    76.63031   -88.32739
    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     1.08612   109.94660   179.10082
   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   _C9_    36     1.84735    97.35333  -178.14027
   34    33 S   HC   _H5_    37     1.09907   106.61155   155.96730
   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   _C10    38     1.54827   108.51621    40.00293
   39    38 S   HC   _H9_    39     1.09771   110.72296   -62.70142
   40    38 S   CO4  _C11    40     1.52139   107.91660  -178.97111
   41    40 S   O    _O34    41     1.22977   123.52630  -122.95059
   42    38 S   CT   _C13    80     1.53376   114.17286    59.16817
   43    42 S   HC   _H12    81     1.09212   108.51340    61.04198
   44    42 S   HC   _H13    82     1.09174   108.72020   -55.63926
   45    40 S   CT   _C12    42     1.50380   115.47396    60.00205
   46    45 S   HC   _H10    43     1.09575   107.99448    67.61986
   47    45 S   HC   _H11    44     1.09605   108.65860  -176.44708
   48    42 S   CM   _C14    83     1.49383   110.95957  -175.94102
   49    48 S   HC   _H14    84     1.08749   117.59236    59.96920
   50    45 S   CO   _C7_    45     1.51945   110.94105   -54.94477
   51    48 S   CM   _C15    85     1.33769   123.77486  -121.21741
   52    51 S   HC   _H15    86     1.08488   121.55478   179.92598
   53    51 S   HC   _H16    87     1.08464   120.44593     0.01978
   54    33 S   CT   _C8_    46     1.56932   111.79007   -84.93507
   55    50 S   OS   _O36    75     1.43760   107.33770   166.93341
   56    54 S   CT   _C5_    47     1.54732   115.40438   -78.44434
   57    56 S   HC   _H3_    48     1.10305   108.07330   166.41836
   58    54 S   OS   _O35    70     1.42490   108.89920    48.29508
   59    55 S   CT   _C17    76     1.41527   110.92502    60.02168
   60    59 S   HC   _H20    77     1.09269   109.49065   179.97202
   61    59 S   HC   _H21    78     1.09303   109.50907    59.18047
   62    59 S   HC   _H22    79     1.09226   108.94512   -60.42552
   63    56 S   CT   _C6_    49     1.53889   101.51141   -77.96002
   64    63 S   HC   _H4_    50     1.12098   110.94329    86.19446
   65    56 S   CT   _C4_    66     1.52119   119.06236    46.83052
   66    65 S   HC   _H6_    67     1.09034   110.09253   -58.89683
   67    65 S   HC   _H7_    68     1.09118   110.02089  -178.89482
   68    65 S   HC   _H8_    69     1.09071   110.07439    61.16124
   69    58 S   CT   _C16    71     1.41896   111.44345   -88.79222
   70    69 S   HC   _H17    72     1.09266   109.58801   179.98022
   71    69 S   HC   _H18    73     1.09309   109.49723    59.23153
   72    69 S   HC   _H19    74     1.09244   109.03272   -60.31992
   73    63 S   CA   _C18    51     1.51012   114.46394  -152.04386
   74    50 S   OS   _O33    65     1.44192   110.33215   -74.37548
   75    73 S   CA   _C19    52     1.40621   119.66985  -123.65984
   76    75 S   HA   _H23    53     1.08696   120.11600     0.00000
   77    75 S   CA   _C20    54     1.39683   120.59230   179.97202
   78    77 S   HA   _H24    55     1.08482   120.81850  -179.95154
   79    77 S   CA   _C21    56     1.37988   117.68796     0.02798
   80    79 S   CA   _C22    57     1.37640   121.70335     0.02798
   81    73 S   CA   _C23    58     1.39737   119.73304    56.32835
   82    81 S   HA   _H25    59     1.08438   121.35072     0.01978
   83    80 S   OS   _O37    60     1.36136   112.30252   179.97202
   84    83 S   CO   _C24    61     1.44239   100.99603     0.00000
   85    84 S   HC   _H26    62     1.09659   108.67614  -120.93047
   86    84 S   HC   _H27    63     1.09607   108.68080   120.97583
   87    79 S   OS   _O38    64     1.36069   125.95600   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
  20   8   2   1   1  16   8  12   5   9   4   3  10   5   4   4
   3  15   2   1   1  17   8  13   9   7   4   2   1   1  13   5
   5   2   1   1   3   2   1   1  10   2   8   4   7   3   8   7
   4   1   4   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    54    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    54    56    57    63    74    65    58    69    55    42    43    44    48  
   38    39    40    50    54    56    58    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    50    54    56    58    42    43    44    48    49    51  
   40    41    45    54    42    43    44    48  
   41    45    46    47    50    54    74    55    42    43    44    48  
   45    46    47    50    42  
   43    44    48    49    51    52    53    45    54  
   44    48    49    51  
   48    49    51  
   46    47    50    54    56    63    74    58    55    59  
   47    50    54    74    55  
   50    54    74    55  
   49    51    52    53  
   51    52    53  
   54    56    57    63    64    73    74    65    58    69    55    59    60    61    62  
   52    53  
   53  
    0  
   56    57    63    64    73    74    65    66    67    68    58    69    70    71    72    55    59  
   59    60    61    62    56    58    63    74  
   57    63    64    73    75    81    74    65    66    67    68    58    69  
   63    64    73    74    65    66    67    68    58  
   69    70    71    72    63    65    74  
   60    61    62    74  
   61    62  
   62  
    0  
   64    73    75    76    77    80    81    82    74    65    66    67    68  
   73    75    81    74    65  
   66    67    68    73    74  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   75    76    77    78    79    80    81    82    83    74  
   75    81  
   76    77    78    79    80    81    82    87  
   77    78    79    81  
   78    79    80    81    83    84    87  
   79    80    87  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84    87  
   83  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   250.000  1.527
   50    54   250.000  1.527
   50    74   320.000  1.380
   50    55   320.000  1.380
   54    56   268.000  1.529
   54    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    65   268.000  1.529
   63    64   340.000  1.090
   63    73   317.000  1.510
   63    74   320.000  1.410
   73    75   469.000  1.400
   73    81   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    87   450.000  1.364
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   83    84   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.380
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   58    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.510
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    54    50    75.00000  109.43000
   33    54    56    58.35000  112.70000
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    50    63.00000  111.10000
   45    40    41    80.00000  120.40000
   45    50    54    65.00000  112.71400
   45    50    74    90.00000  108.56700
   45    50    55    90.00000  108.56700
   47    45    46    33.00000  107.80000
   50    45    46    45.00000  108.72000
   50    45    47    45.00000  108.72000
   50    54    56    75.00000  109.43000
   50    54    58    90.00000  109.38000
   50    74    63    60.00000  109.50000
   50    55    59    60.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    63    58.35000  112.70000
   54    56    65    58.35000  112.70000
   54    58    69    60.00000  109.50000
   56    63    64    37.50000  110.70000
   56    63    73    70.00000  112.17500
   56    63    74    50.00000  109.50000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    68    37.50000  110.70000
   63    56    57    37.50000  110.70000
   63    73    75    70.00000  120.00000
   63    73    81    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   73    81    80    63.00000  120.00000
   73    81    82    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    87    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    81    63.00000  120.00000
   79    80    83    70.00000  120.00000
   79    87    84   100.00000  112.36700
   80    81    82    35.00000  120.00000
   80    83    84   100.00000  112.36700
   81    73    75    63.00000  120.00000
   83    80    81    70.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    92.60000  111.55000
   86    84    85    33.00000  109.50000
   87    79    80    70.00000  120.00000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   74    50    54    90.00000  108.56700
   74    63    64    35.00000  109.50000
   74    63    73    85.00000  111.85700
   65    56    57    37.50000  110.70000
   65    56    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   58    54    56    50.00000  109.50000
   58    69    70    35.00000  109.50000
   58    69    71    35.00000  109.50000
   58    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   55    50    54    90.00000  108.56700
   55    50    74    92.60000  111.55000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    48    49    35.00000  117.00000
   42    48    51    70.00000  124.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   51    48    49    35.00000  120.00000
   53    51    52    35.00000  117.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    56   0.44750  1.0 1.0
   29    33    54    56  -0.17800 -1.0 2.0
   29    33    54    56   0.20200  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.60050  1.0 1.0
   33    38    40    45   0.05600 -1.0 2.0
   33    38    40    45   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    54    56    57   0.15000  1.0 3.0
   33    54    56    63   0.56750  1.0 1.0
   33    54    56    63  -0.07550 -1.0 2.0
   33    54    56    63   0.20000  1.0 3.0
   33    54    56    65   0.56750  1.0 1.0
   33    54    56    65  -0.07550 -1.0 2.0
   33    54    56    65   0.20000  1.0 3.0
   33    54    58    69   0.06250  1.0 1.0
   33    54    58    69  -0.01100 -1.0 2.0
   33    54    58    69   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    50   3.97050  1.0 1.0
   38    33    54    56   0.56750  1.0 1.0
   38    33    54    56  -0.07550 -1.0 2.0
   38    33    54    56   0.20000  1.0 3.0
   38    33    54    58   0.62750  1.0 1.0
   38    33    54    58  -0.30950 -1.0 2.0
   38    33    54    58   0.27300  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    47   0.00000  1.0 1.0
   38    40   -45    50   0.60050  1.0 1.0
   38    40   -45    50   0.05600 -1.0 2.0
   38    40   -45    50   0.26150  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    51   0.09850  1.0 1.0
   38    42    48    51   0.15250 -1.0 2.0
   38    42    48    51  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    48  -0.98800  1.0 1.0
   40    38    42    48   0.48800 -1.0 2.0
   40    38    42    48   0.76800  1.0 3.0
   40    45    50    54  -0.95700  1.0 1.0
   40    45    50    54  -0.18200 -1.0 2.0
   40    45    50    54   0.29450  1.0 3.0
   40    45    50    74  -0.09450  1.0 1.0
   40    45    50    74  -1.12950 -1.0 2.0
   40    45    50    74   0.54000  1.0 3.0
   40    45    50    55  -0.09450  1.0 1.0
   40    45    50    55  -1.12950 -1.0 2.0
   40    45    50    55   0.54000  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    45    50   0.30150 -1.0 2.0
   45    50   -54    33   0.56750  1.0 1.0
   45    50   -54    33  -0.07550 -1.0 2.0
   45    50   -54    33   0.20000  1.0 3.0
   45    50    54    56   0.56750  1.0 1.0
   45    50    54    56  -0.07550 -1.0 2.0
   45    50    54    56   0.20000  1.0 3.0
   45    50    54    58   0.62750  1.0 1.0
   45    50    54    58  -0.30950 -1.0 2.0
   45    50    54    58   0.27300  1.0 3.0
   45    50    74    63   0.06250  1.0 1.0
   45    50    74    63  -0.01100 -1.0 2.0
   45    50    74    63   0.28050  1.0 3.0
   45    50    55    59   0.06250  1.0 1.0
   45    50    55    59  -0.01100 -1.0 2.0
   45    50    55    59   0.28050  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    74   0.23400  1.0 3.0
   46    45    50    55   0.23400  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    74   0.23400  1.0 3.0
   47    45    50    55   0.23400  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54   -56    63   3.97050  1.0 1.0
   50    54    56    65   3.97050  1.0 1.0
   50    54    58    69   0.06250  1.0 1.0
   50    54    58    69  -0.01100 -1.0 2.0
   50    54    58    69   0.28050  1.0 3.0
   50    55    59    60   0.37050  1.0 3.0
   50    55    59    61   0.37050  1.0 3.0
   50    55    59    62   0.37050  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.56750  1.0 1.0
   54    33    38    42  -0.07550 -1.0 2.0
   54    33    38    42   0.20000  1.0 3.0
   54    50   -74    63   0.06250  1.0 1.0
   54    50   -74    63  -0.01100 -1.0 2.0
   54    50   -74    63   0.28050  1.0 3.0
   54    50    55    59   0.06250  1.0 1.0
   54    50    55    59  -0.01100 -1.0 2.0
   54    50    55    59   0.28050  1.0 3.0
   54    56    63    64   0.15000  1.0 3.0
   54    56    63    73  -0.03700  1.0 1.0
   54    56    63    73   0.37200 -1.0 2.0
   54    56    63    73  -0.47300  1.0 3.0
   54    56   -63    74   0.62750  1.0 1.0
   54    56   -63    74  -0.30950 -1.0 2.0
   54    56   -63    74   0.27300  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    67   0.15000  1.0 3.0
   54    56    65    68   0.15000  1.0 3.0
   54    58    69    70   0.37050  1.0 3.0
   54    58    69    71   0.37050  1.0 3.0
   54    58    69    72   0.37050  1.0 3.0
   56    54    58    69   0.06250  1.0 1.0
   56    54    58    69  -0.01100 -1.0 2.0
   56    54    58    69   0.28050  1.0 3.0
   56    63    73    75   0.04150 -1.0 2.0
   56    63    73    81   0.04150 -1.0 2.0
   56    63   -74    50   0.06250  1.0 1.0
   56    63   -74    50  -0.01100 -1.0 2.0
   56    63   -74    50   0.28050  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    73   0.43200  1.0 3.0
   57    56    63    74   0.23400  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    68   0.15000  1.0 3.0
   63    56    65    66   0.15000  1.0 3.0
   63    56    65    67   0.15000  1.0 3.0
   63    56    65    68   0.15000  1.0 3.0
   63    73    75    76   3.62500 -1.0 2.0
   63    73    75    77   3.62500 -1.0 2.0
   63    73    81    80   3.62500 -1.0 2.0
   63    73    81    82   3.62500 -1.0 2.0
   64    63    73    75   0.00000  1.0 1.0
   64    63    73    81   0.00000  1.0 1.0
   64    63    74    50   0.37050  1.0 3.0
   73    63    74    50   0.37500  1.0 3.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   75    73    81    80   3.62500 -1.0 2.0
   75    73    81    82   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   75    77    79    87   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   77    79    80    83   3.62500 -1.0 2.0
   77    79    87    84   1.63200 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    87   3.62500 -1.0 2.0
   79    80   -81    73   3.62500 -1.0 2.0
   79    80    81    82   3.62500 -1.0 2.0
   79    80   -83    84   1.63200 -1.0 2.0
   80    79   -87    84   1.63200 -1.0 2.0
   80    83    84    85   0.08050  1.0 3.0
   80    83    84    86   0.08050  1.0 3.0
   80    83   -84    87  -0.25600  1.0 1.0
   80    83   -84    87  -0.40050 -1.0 2.0
   80    83   -84    87   0.34700  1.0 3.0
   81    73    75    76   3.62500 -1.0 2.0
   81    73   -75    77   3.62500 -1.0 2.0
   81    80    83    84   1.63200 -1.0 2.0
   83    80    81    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    84   -87    79  -0.25600  1.0 1.0
   83    84   -87    79  -0.40050 -1.0 2.0
   83    84   -87    79   0.34700  1.0 3.0
   85    84    87    79   0.08050  1.0 3.0
   86    84    87    79   0.08050  1.0 3.0
   87    79    80    81   3.62500 -1.0 2.0
   87    79   -80    83   3.62500 -1.0 2.0
   74    50    54    33   0.62750  1.0 1.0
   74    50    54    33  -0.30950 -1.0 2.0
   74    50    54    33   0.27300  1.0 3.0
   74    50   -54    56   0.62750  1.0 1.0
   74    50   -54    56  -0.30950 -1.0 2.0
   74    50   -54    56   0.27300  1.0 3.0
   74    50    54    58   1.11900  1.0 1.0
   74    50    54    58  -1.16350 -1.0 2.0
   74    50    54    58  -0.34150  1.0 3.0
   74    50    55    59  -0.53350  1.0 1.0
   74    50    55    59  -0.78350 -1.0 2.0
   74    50    55    59   0.33750  1.0 3.0
   74    63    73    75   0.64500  1.0 1.0
   74    63    73    75   0.14800 -1.0 2.0
   74    63    73    75   0.20650  1.0 3.0
   74    63    73    81   0.64500  1.0 1.0
   74    63    73    81   0.14800 -1.0 2.0
   74    63    73    81   0.20650  1.0 3.0
   65    56    63    64   0.15000  1.0 3.0
   65    56    63    73  -0.03700  1.0 1.0
   65    56    63    73   0.37200 -1.0 2.0
   65    56    63    73  -0.47300  1.0 3.0
   65    56    63    74   0.62750  1.0 1.0
   65    56    63    74  -0.30950 -1.0 2.0
   65    56    63    74   0.27300  1.0 3.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    63   0.62750  1.0 1.0
   58    54    56    63  -0.30950 -1.0 2.0
   58    54    56    63   0.27300  1.0 3.0
   58    54    56    65   0.62750  1.0 1.0
   58    54    56    65  -0.30950 -1.0 2.0
   58    54    56    65   0.27300  1.0 3.0
   55    50    54    33   0.62750  1.0 1.0
   55    50    54    33  -0.30950 -1.0 2.0
   55    50    54    33   0.27300  1.0 3.0
   55    50    54    56   0.62750  1.0 1.0
   55    50    54    56  -0.30950 -1.0 2.0
   55    50    54    56   0.27300  1.0 3.0
   55    50    54    58   1.11900  1.0 1.0
   55    50    54    58  -1.16350 -1.0 2.0
   55    50    54    58  -0.34150  1.0 3.0
   55    50    74    63  -0.53350  1.0 1.0
   55    50    74    63  -0.78350 -1.0 2.0
   55    50    74    63   0.33750  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.60050  1.0 1.0
   42    38    40    45   0.05600 -1.0 2.0
   42    38    40    45   0.26150  1.0 3.0
   42    48    51    52   7.00000 -1.0 2.0
   42    48    51    53   7.00000 -1.0 2.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    51   0.00000  1.0 1.0
   44    42    48    49   0.33100  1.0 3.0
   44    42    48    51   0.00000  1.0 1.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   75    81    73    63   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    87    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   80    82    81    73   1.10000 -1.0 2.0
   42    49    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
