* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    171    263     496
    1     0 S   NP   _N1_     1    28.88963    93.18078   -18.63129
    2     1 S   H    _HN1     2     1.02764    82.68996   -58.87768
    3     1 S   H    _H1_     3     1.02944   105.15784    48.00081
    4     1 S   H    _H2_     4     1.02806    27.87298   145.56029
    5     1 S   CT   _CA1     5     1.49825   133.90835  -173.30455
    6     5 S   HC   _HA1     6     1.09575   105.28936    37.82344
    7     5 S   CO3  _C1_     7     1.53836   112.14649   -82.33077
    8     7 S   O2Z  _O11     8     1.26360   115.04595   -45.47178
    9     7 S   O2Z  _O12     9     1.26249   114.90446   133.71551
   10     5 S   CT   _CB1    10     1.53128   107.48689   155.62316
   11    10 S   HC   HB11    11     1.09808   109.38520   -51.70522
   12    10 S   HC   HB12    12     1.09816   110.49165    64.87763
   13    10 S   CT   _CG1    13     1.53010   112.36362  -172.98194
   14    13 S   HC   HG11    14     1.09592   110.03539   -62.00989
   15    13 S   HC   HG12    15     1.09624   110.28390    56.97644
   16    13 S   C    _CD1    16     1.51751   112.30180   177.00272
   17    16 S   O    _OE1    17     1.22721   123.15020   -19.68607
   18    16 S   N    _N2_    18     1.38592   111.75496   161.45471
   19    18 S   H    _HN2    19     1.01581   119.09755     1.11838
   20    18 S   CT1  _CA2    20     1.46146   123.39963  -176.84520
   21    20 S   HC   _HA2    21     1.09591   109.13571   -17.39566
   22    20 S   C    _C2_    22     1.53349   108.38931  -132.72878
   23    22 S   O    _O2_    23     1.23000   122.36325  -145.59756
   24    20 S   CT   _CB2    32     1.53442   111.27370   105.03515
   25    24 S   HC   HB21    33     1.09656   109.56942    55.95050
   26    24 S   HC   HB22    34     1.09493   111.38064   173.44662
   27    22 S   N    _N3_    24     1.38552   113.25692    41.98663
   28    27 S   H    _HN3    25     1.01531   118.90900    -0.72685
   29    24 S   S    _SG2    35     1.82838   113.54733   -63.35882
   30    27 S   CT   _CA3    26     1.45424   123.27260   174.59220
   31    30 S   HC   HA31    27     1.09535   109.01576    28.67327
   32    30 S   HC   HA32    28     1.09487   107.18680   145.68093
   33    29 S   CT   _C24    36     1.84237    99.67666   -77.39845
   34    33 S   HC   _H6_    37     1.09436   106.77745    53.19595
   35    30 S   CO3  _C3_    29     1.52954   113.24567   -94.61038
   36    35 S   O2Z  _O31    30     1.26393   115.49038   -42.25840
   37    35 S   O2Z  _O32    31     1.26365   114.92533   138.65438
   38    33 S   CM   _C21    38     1.54359   108.29066   171.17893
   39    33 S   OS   _O35    86     1.43110   110.21289   -64.15453
   40    38 S   CMA  _C22    39     1.37176   123.97747    86.32442
   41    40 S   OM   _O33    40     1.26942   125.76691    -1.06680
   42    38 S   CT   _C20    46     1.54979   112.44639   -93.45853
   43    42 S   HC   _H5_    47     1.09979   107.04216    -6.65947
   44    39 S   CT   _C25    87     1.41985   113.19859   146.19957
   45    44 S   HC   _H28    88     1.09328   108.25907   178.91285
   46    44 S   HC   _H29    89     1.09231   110.88272    60.01482
   47    44 S   HC   _H30    90     1.09432   110.47488   -62.51624
   48    40 S   OS   _O34    41     1.41786   111.81587  -178.03606
   49    42 S   CT   _C19    48     1.55086   111.51920   107.69938
   50    49 S   HC   _H23    49     1.09729   111.30119    27.31473
   51    49 S   HC   _H24    50     1.09924   108.03018   -87.69961
   52    42 S   CT   _C6_    77     1.55573   117.01816  -122.83324
   53    52 S   HC   _H3_    78     1.09654   109.21856   -69.35135
   54    48 S   CT   _C23    42     1.42750   114.33338  -143.00613
   55    54 S   HC   _H25    43     1.09403   107.71095   171.05572
   56    54 S   HC   _H26    44     1.09540   111.08926    52.95877
   57    54 S   HC   _H27    45     1.09472   111.05239   -71.01493
   58    49 S   CT   _C18    51     1.53941   113.19795   149.84868
   59    58 S   HC   _H4_    52     1.09935   109.72087   -77.56665
   60    52 S   CT   _C5_    79     1.54272   112.66766    49.71947
   61    60 S   HC   _H10    80     1.09492   109.52475   -59.57010
   62    60 S   HC   _H11    81     1.09663   110.01238    57.76641
   63    58 S   C5A  _C17    53     1.49987   111.72239   163.93142
   64    60 S   CT   _C4_    82     1.52320   113.70278  -179.49140
   65    64 S   HC   _H7_    83     1.09389   111.64035   -66.57815
   66    64 S   HC   _H8_    84     1.09485   109.98721   174.17116
   67    64 S   HC   _H9_    85     1.09456   110.98989    54.70197
   68    63 S   C5B  _C10    54     1.37862   125.50129  -136.08889
   69    63 S   NA   _N5_    65     1.36654   126.22227    47.01115
   70    69 S   H    _H22    66     1.01103   125.48654    -2.33347
   71    68 S   C56B _C11    55     1.41970   107.81084  -177.09519
   72    68 S   CT   _C9_    67     1.48663   121.00900     3.23870
   73    72 S   HC   _H16    68     1.09704   108.76501   102.38485
   74    72 S   HC   _H17    69     1.09553   110.66674  -139.45542
   75    71 S   CA   _C12    56     1.40941   134.46252   179.73312
   76    75 S   HA   _H18    57     1.08622   120.74932    -0.91898
   77    72 S   CT   _C8_    70     1.54462   110.53703   -17.91133
   78    77 S   HC   _H14    71     1.09709   107.86301   167.41591
   79    77 S   HC   _H15    72     1.09866   109.44536   -76.26803
   80    75 S   CA   _C13    58     1.39935   119.24639   178.84852
   81    80 S   HA   _H19    59     1.08695   119.55803  -179.91607
   82    58 S   NT   _N4_    73     1.47965   108.77828    42.30749
   83    80 S   CA   _C14    60     1.39326   120.75004     0.06853
   84    83 S   HA   _H20    61     1.08727   119.57696  -179.88636
   85    82 S   CT   _C7_    74     1.47052   112.26010   -66.62788
   86    85 S   HC   _H12    75     1.09824   110.19758   -95.20212
   87    85 S   HC   _H13    76     1.09697   107.48101   148.62411
   88    83 S   CA   _C15    62     1.39784   121.07382     0.28667
   89    88 S   HA   _H21    63     1.08506   120.92189   179.90721
   90    71 S   C56A _C16    64     1.39909   106.76022    -0.88027
  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   7   5   4   3
  14   5   2   1   1  16   6  10   3  18   8   3   2   1   1   4
  13   6   5  14   8   3   2   1   1  15   6  10   6   5  13   4
   2   1   1  15   9   3  12   9   5   4   7   4   6   3   2   6
   3   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    85    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    63    82    85    86    87    52    53    60    61    62    64    48  
   49    50    51    58    85    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    63    68    69    77    82    85    52    53    60  
   51    58    59    63    82    52  
   58    59    63    82    52  
   53    60    61    62    64    65    66    67    58    77    82    85    86    87  
   60    61    62    64    82    85    86    87  
   55    56    57  
   56    57  
   57  
    0  
   59    63    68    71    90    69    70    72    77    78    79    82    85    86    87  
   63    68    69    77    82    85  
   61    62    64    65    66    67    82    85    86    87  
   62    64    65    66    67    85  
   64    65    66    67    85  
   68    71    75    88    90    69    70    72    73    74    77    82    85  
   65    66    67    85  
   66    67  
   67  
    0  
   71    75    76    80    88    90    69    70    72    73    74    77    78    79    82  
   70    72    82    71    75    83    88    89    90  
   71    88    90  
   75    76    80    81    83    88    89    90    72    73    74    77  
   73    74    77    78    79    82    85    75    90  
   74    77    78    79    82  
   77    78    79    82  
   76    80    81    83    84    88    90  
   80    81    83    90  
   78    79    82    85    86    87  
   79    82    85  
   82    85  
   81    83    84    88    89    90  
   83    84    88  
   85    86    87  
   84    88    89    90  
   88    89    90  
   86    87  
   87  
    0  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   82   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    63   295.000  1.489
   58    82   382.000  1.448
   63    68   520.000  1.370
   63    69   427.000  1.381
   68    71   380.000  1.440
   68    72   295.000  1.494
   71    75   469.000  1.404
   71    90   447.000  1.419
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    83   469.000  1.400
   83    84   367.000  1.080
   83    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    69   428.000  1.380
   69    70   434.000  1.010
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   382.000  1.448
   82    85   382.000  1.448
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    52   268.000  1.529
   52    53   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    85    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    70.00000  113.44400
   49    58    82    56.20000  109.47000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    63    68    55.00000  130.44200
   58    63    69    65.00000  122.56900
   58    82    77    51.80000  107.20000
   58    82    85    51.80000  107.20000
   63    58    59    45.00000  110.47400
   63    68    71    80.00000  105.82900
   63    68    72    55.00000  127.77900
   63    69    90    90.00000  107.14200
   63    69    70    35.00000  120.00000
   68    71    75    50.00000  134.85500
   68    71    90    80.00000  107.43600
   68    72    73    45.00000  111.11700
   68    72    74    45.00000  111.11700
   68    72    77    70.00000  112.62400
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    90    88    85.00000  122.70000
   71    90    69    70.00000  104.40000
   75    80    81    35.00000  120.00000
   75    80    83    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    83    84    35.00000  120.00000
   80    83    88    63.00000  120.00000
   83    80    81    35.00000  120.00000
   83    88    89    35.00000  120.00000
   83    88    90    85.00000  120.00000
   88    83    84    35.00000  120.00000
   88    90    69    70.00000  132.80000
   90    71    75    85.00000  116.20000
   90    88    89    35.00000  120.00000
   90    69    70    35.00000  123.10000
   69    63    68    70.00000  106.30000
   72    68    71    55.00000  128.73000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    56.20000  109.47000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    85    51.80000  107.20000
   79    77    78    33.00000  107.80000
   82    58    59    35.00000  109.50000
   82    58    63    75.00000  112.58000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    52    56.20000  109.47000
   85    52    53    37.50000  110.70000
   85    52    60    58.35000  112.70000
   87    85    86    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    85    86    37.50000  110.70000
   52    85    87    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   60    52    53    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    85   0.34400  1.0 1.0
   38    42    52    85   0.09450 -1.0 2.0
   38    42    52    85   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.34400  1.0 1.0
   38    42    52    60   0.09450 -1.0 2.0
   38    42    52    60   0.11100  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    63  -0.03700  1.0 1.0
   42    49    58    63   0.37200 -1.0 2.0
   42    49    58    63  -0.47300  1.0 3.0
   42    49    58    82   1.53400  1.0 1.0
   42    49    58    82  -0.09950 -1.0 2.0
   42    49    58    82   0.05700  1.0 3.0
   42    52    60    61   0.15000  1.0 3.0
   42    52    60    62   0.15000  1.0 3.0
   42    52    60    64   0.56750  1.0 1.0
   42    52    60    64  -0.07550 -1.0 2.0
   42    52    60    64   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    85   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    85   0.56750  1.0 1.0
   49    42    52    85  -0.07550 -1.0 2.0
   49    42    52    85   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.56750  1.0 1.0
   49    42    52    60  -0.07550 -1.0 2.0
   49    42    52    60   0.20000  1.0 3.0
   49    58    63    68   0.04150 -1.0 2.0
   49    58    63    69   0.39850  1.0 1.0
   49    58    63    69   0.06450 -1.0 2.0
   49    58    63    69   0.32400  1.0 3.0
   49    58    82    77   0.23450  1.0 1.0
   49    58    82    77   0.02050 -1.0 2.0
   49    58    82    77   0.25250  1.0 3.0
   49    58   -82    85   0.23450  1.0 1.0
   49    58   -82    85   0.02050 -1.0 2.0
   49    58   -82    85   0.25250  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.43200  1.0 3.0
   50    49    58    82   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    63   0.43200  1.0 3.0
   51    49    58    82   0.15000  1.0 3.0
   58    63    68    71   3.62500 -1.0 2.0
   58    63    68    72   3.62500 -1.0 2.0
   58    63    69    90   3.62500 -1.0 2.0
   58    63    69    70   2.00000 -1.0 2.0
   58    82    85    86   0.28000  1.0 3.0
   58    82    85    87   0.28000  1.0 3.0
   58    82    85    52   0.23450  1.0 1.0
   58    82    85    52   0.02050 -1.0 2.0
   58    82    85    52   0.25250  1.0 3.0
   59    58    63    68   0.00000  1.0 1.0
   59    58    63    69   0.00000  1.0 1.0
   59    58    82    77   0.28000  1.0 3.0
   59    58    82    85   0.28000  1.0 3.0
   63    58    82    77   0.82600  1.0 1.0
   63    58    82    77  -0.32100 -1.0 2.0
   63    58    82    77   1.02000  1.0 3.0
   63    58    82    85   0.82600  1.0 1.0
   63    58    82    85  -0.32100 -1.0 2.0
   63    58    82    85   1.02000  1.0 3.0
   63    68    71    75   3.62500 -1.0 2.0
   63    68   -71    90   3.50000 -1.0 2.0
   63    68    72    73   0.00000  1.0 1.0
   63    68    72    74   0.00000  1.0 1.0
   63    68   -72    77   0.04150 -1.0 2.0
   68    63   -69    90   3.62500 -1.0 2.0
   68    63    69    70   1.40000 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   68    71    90    88   3.00000 -1.0 2.0
   68    71   -90    69   3.00000 -1.0 2.0
   68    72    77    78   0.43200  1.0 3.0
   68    72    77    79   0.43200  1.0 3.0
   68    72    77    82   0.83750  1.0 1.0
   68    72    77    82   0.32200 -1.0 2.0
   68    72    77    82   0.70600  1.0 3.0
   71    68    72    73   0.00000  1.0 1.0
   71    68    72    74   0.00000  1.0 1.0
   71    68    72    77   0.04150 -1.0 2.0
   71    75    80    81   3.62500 -1.0 2.0
   71    75    80    83   3.62500 -1.0 2.0
   71    90   -69    63   3.62500 -1.0 2.0
   71    90    69    70   1.52500 -1.0 2.0
   75    71    90    88   3.00000 -1.0 2.0
   75    71    90    69   3.00000 -1.0 2.0
   75    80    83    84   3.62500 -1.0 2.0
   75    80   -83    88   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    83   3.62500 -1.0 2.0
   80    83    88    89   3.62500 -1.0 2.0
   80    83    88    90   3.62500 -1.0 2.0
   81    80    83    84   3.62500 -1.0 2.0
   81    80    83    88   3.62500 -1.0 2.0
   83    88   -90    71   3.62500 -1.0 2.0
   83    88    90    69   3.62500 -1.0 2.0
   84    83    88    89   3.62500 -1.0 2.0
   84    83    88    90   3.62500 -1.0 2.0
   88    90    69    63   3.62500 -1.0 2.0
   88    90    69    70   1.52500 -1.0 2.0
   89    88    90    71   3.62500 -1.0 2.0
   89    88    90    69   3.62500 -1.0 2.0
   90    71    75    76   3.50000 -1.0 2.0
   90    71   -75    80   3.50000 -1.0 2.0
   69    63   -68    71   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   72    68    71    75   3.62500 -1.0 2.0
   72    68    71    90   3.62500 -1.0 2.0
   72    77   -82    58   0.23450  1.0 1.0
   72    77   -82    58   0.02050 -1.0 2.0
   72    77   -82    58   0.25250  1.0 3.0
   72    77    82    85   0.23450  1.0 1.0
   72    77    82    85   0.02050 -1.0 2.0
   72    77    82    85   0.25250  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    79   0.15000  1.0 3.0
   74    72    77    82   0.15000  1.0 3.0
   77    82    85    86   0.28000  1.0 3.0
   77    82    85    87   0.28000  1.0 3.0
   77    82    85    52   0.23450  1.0 1.0
   77    82    85    52   0.02050 -1.0 2.0
   77    82    85    52   0.25250  1.0 3.0
   78    77    82    58   0.28000  1.0 3.0
   78    77    82    85   0.28000  1.0 3.0
   79    77    82    58   0.28000  1.0 3.0
   79    77    82    85   0.28000  1.0 3.0
   82    58   -63    68   0.18550 -1.0 2.0
   82    58   -63    68   0.14000  1.0 3.0
   82    58    63    69   0.04300 -1.0 2.0
   82    85   -52    42   1.53400  1.0 1.0
   82    85   -52    42  -0.09950 -1.0 2.0
   82    85   -52    42   0.05700  1.0 3.0
   82    85    52    53   0.15000  1.0 3.0
   82    85    52    60   1.53400  1.0 1.0
   82    85    52    60  -0.09950 -1.0 2.0
   82    85    52    60   0.05700  1.0 3.0
   85    52    60    61   0.15000  1.0 3.0
   85    52    60    62   0.15000  1.0 3.0
   85    52    60    64   0.56750  1.0 1.0
   85    52    60    64  -0.07550 -1.0 2.0
   85    52    60    64   0.20000  1.0 3.0
   86    85    52    42   0.15000  1.0 3.0
   86    85    52    53   0.15000  1.0 3.0
   86    85    52    60   0.15000  1.0 3.0
   87    85    52    42   0.15000  1.0 3.0
   87    85    52    53   0.15000  1.0 3.0
   87    85    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   68    69    63    58   4.00000 -1.0 2.0
   71    72    68    63   4.00000 -1.0 2.0
   75    90    71    68   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   83    81    80    75   1.10000 -1.0 2.0
   88    84    83    80   1.10000 -1.0 2.0
   90    89    88    83   1.10000 -1.0 2.0
   88    69    90    71   4.00000 -1.0 2.0
   70    63    69    90   1.00000 -1.0 2.0
END
