* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    248     478
    1     0 S   NP   _N1_     1    29.66447    95.06225   -25.58908
    2     1 S   H    _HN1     2     1.02958    82.54739    -3.48672
    3     1 S   H    _H1_     3     1.02836    24.54689   179.84298
    4     1 S   H    _H2_     4     1.02780   118.44723  -110.33184
    5     1 S   CT   _CA1     5     1.50125   119.88530   105.78587
    6     5 S   HC   _HA1     6     1.09574   105.22350    84.41862
    7     5 S   CO3  _C1_     7     1.53780   112.38073   -35.80261
    8     7 S   O2Z  _O11     8     1.26364   114.99844   -43.88999
    9     7 S   O2Z  _O12     9     1.26235   114.92967   135.23419
   10     5 S   CT   _CB1    10     1.53084   107.42112  -157.65943
   11    10 S   HC   HB11    11     1.09829   109.33484   -50.52204
   12    10 S   HC   HB12    12     1.09818   110.42385    66.02649
   13    10 S   CT   _CG1    13     1.53021   112.68074  -171.59206
   14    13 S   HC   HG11    14     1.09591   110.51470   -64.36914
   15    13 S   HC   HG12    15     1.09653   109.92840    54.87314
   16    13 S   C    _CD1    16     1.51797   112.24631   175.24017
   17    16 S   O    _OE1    17     1.22743   123.25529     0.79377
   18    16 S   N    _N2_    18     1.38579   111.75819  -179.26832
   19    18 S   H    _HN2    19     1.01578   119.10466     3.56755
   20    18 S   CT1  _CA2    20     1.45869   122.79651   178.08337
   21    20 S   HC   _HA2    21     1.09632   110.01910    20.29579
   22    20 S   C    _C2_    22     1.52624   104.51213   -97.32466
   23    22 S   O    _O2_    23     1.23017   122.47300   -80.76045
   24    20 S   CT   _CB2    32     1.53033   111.87248   143.51056
   25    24 S   HC   HB21    33     1.09528   111.04072    53.45820
   26    24 S   HC   HB22    34     1.09391   109.15818   172.49094
   27    22 S   N    _N3_    24     1.38375   113.02534    94.55849
   28    27 S   H    _HN3    25     1.01655   120.18937     0.52860
   29    24 S   S    _SG2    35     1.82497   111.03444   -67.21830
   30    27 S   CT   _CA3    26     1.45295   122.42077  -175.61255
   31    30 S   HC   HA31    27     1.09538   108.09330   -50.23422
   32    30 S   HC   HA32    28     1.09563   107.38103    65.92059
   33    29 S   CT   _C26    36     1.83868    99.60872  -162.51448
   34    33 S   HC   _H5_    37     1.09324   107.21822    41.89209
   35    30 S   CO3  _C3_    29     1.52816   114.35954  -173.05262
   36    35 S   O2Z  _O31    30     1.26308   116.08780    -9.05395
   37    35 S   O2Z  _O32    31     1.26449   114.40387   170.83713
   38    33 S   CM   _C24    38     1.53368   108.63578   160.15893
   39    33 S   CT   _C27    89     1.53019   110.85983   -73.40007
   40    39 S   HC   _H26    90     1.09560   112.50952   -55.78959
   41    39 S   HC   _H27    91     1.09605   110.49239  -176.39370
   42    39 S   HC   _H28    92     1.09537   111.19343    65.08343
   43    38 S   CMA  _C23    39     1.36862   122.54806   -94.89780
   44    43 S   OM   _O39    40     1.26783   125.31773   179.94405
   45    38 S   CT   _C25    85     1.51895   115.30423    85.15539
   46    45 S   HC   _H23    86     1.09494   110.52649   -50.96175
   47    45 S   HC   _H24    87     1.09415   113.52192  -170.47895
   48    45 S   HC   _H25    88     1.09471   110.34344    69.21838
   49    43 S   OS   _O38    41     1.41105   111.57356     4.08284
   50    49 S   CT   _C20    42     1.44187   121.41920  -132.20454
   51    50 S   CT   _C19    43     1.56022   106.32024   163.86961
   52    51 S   HC   _H4_    44     1.10247   108.10671  -176.07514
   53    50 S   CT   _C21    77     1.53724   111.27167   -78.28290
   54    53 S   HC   _H17    78     1.09414   111.89654    74.44320
   55    53 S   HC   _H18    79     1.09495   111.40425   -44.75569
   56    53 S   HC   _H19    80     1.09554   111.27079  -166.15144
   57    50 S   CT   _C22    81     1.54207   111.75321    46.04542
   58    57 S   HC   _H20    82     1.09485   111.84200   -70.20716
   59    57 S   HC   _H21    83     1.09565   111.31554    48.90812
   60    57 S   HC   _H22    84     1.09546   111.25991   170.10556
   61    51 S   CT   _C9_    45     1.55298   117.92375    61.55357
   62    61 S   HC   _H3_    46     1.09547   110.33204    88.38616
   63    61 S   CA   _C10    47     1.48585    98.16612  -152.37168
   64    61 S   OS   _O34    63     1.43356   112.59647   -38.66129
   65    63 S   CA   _C11    48     1.38560   109.40349    18.67857
   66    64 S   CO4  _C8_    64     1.35762   117.07174   149.86933
   67    66 S   O    _O33    65     1.22121   127.58183    -2.17331
   68    65 S   CA   _C12    49     1.38263   122.23695   175.93442
   69    68 S   HA   _H13    50     1.08437   121.18905  -179.01087
   70    51 S   OS   _O37    62     1.46142   109.97060   -61.86322
   71    66 S   CM   _C6_    66     1.47946   108.60986   177.46441
   72    68 S   CA   _C13    51     1.39839   118.05524     1.39634
   73    72 S   HA   _H14    52     1.08762   119.02883   179.71264
   74    71 S   CM   _C5_    67     1.34387   119.86051  -117.47961
   75    74 S   HC   _H9_    68     1.08894   117.96498  -178.23619
   76    71 S   CT   _C7_    73     1.49596   116.70671    65.09786
   77    76 S   HC   _H10    74     1.09195   110.57275   -72.64661
   78    76 S   HC   _H11    75     1.09501   110.56208    47.53966
   79    76 S   HC   _H12    76     1.09511   111.86928   167.29839
   80    72 S   CA   _C14    53     1.40612   120.51149    -0.08156
   81    74 S   CT   _C4_    69     1.49564   127.74690     3.14560
   82    81 S   HC   _H6_    70     1.09406   109.88572  -112.36837
   83    81 S   HC   _H7_    71     1.09410   109.47317   129.09995
   84    81 S   HC   _H8_    72     1.09183   113.39451     9.24084
   85    63 S   CA   _C15    54     1.38140   130.96478  -164.08463
   86    85 S   OS   _O35    55     1.40354   119.03080     3.92156
   87    86 S   CO4  _C16    56     1.39035   121.49604   179.61235
   88    87 S   O    _O36    57     1.22608   122.02829  -179.58646
   89    87 S   CM   _C17    58     1.47383   116.80653    -0.00000
   90    89 S   HC   _H15    59     1.08440   117.13821   179.42461
   91    80 S   CM   _C18    60     1.45347   121.89018   179.23690
   92    91 S   HC   _H16    61     1.08448   119.13684     0.25179
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12   8
   8   9   3   7   4   2  10   7   3   9   5   4   2   1   1   7
   3   2   1   1   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    53    57    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    61    70    53    54    55    56    57    58    59    60  
   51    52    61    62    63    65    70    64    53    54    55    56    57    58    59    60  
   52    61    62    63    65    68    85    70    64    66    53    54    55    56    57    58    59    60  
   61    62    63    65    70    64    53    57  
   54    55    56    57    58    59    60    61    70  
   55    56    57  
   56    57  
   57  
   58    59    60    61    70  
   59    60  
   60  
    0  
   62    63    65    68    80    85    86    70    64    66    67    71  
   63    65    85    70    64    66  
   65    68    69    72    80    85    86    87    91    70    64    66  
   66    67    71    74    76    65    70    85  
   68    69    72    73    80    85    86    70  
   67    71    74    75    81    76    77    78    79  
   71    74    76  
   69    72    73    80    85    91    70  
   72    73    80    70  
   72    85  
   74    75    81    82    83    84    76    77    78    79  
   73    80    85    86    89    91    92  
   80    85    91  
   75    81    82    83    84    76    77    78    79  
   81    82    83    84    76  
   77    78    79    81  
   78    79  
   79  
    0  
   85    86    87    89    90    91    92  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    91    92  
   87    88    89    90    91  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    70   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   469.000  1.400
   63    85   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    80   469.000  1.400
   80    85   469.000  1.400
   80    91   320.000  1.460
   85    86   450.000  1.364
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   320.000  1.462
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    71   320.000  1.462
   71    74   549.000  1.340
   71    76   317.000  1.510
   74    75   340.000  1.080
   74    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    70    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    70.00000  112.17500
   51    61    64    50.00000  109.50000
   51    70    65    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    63    65    70.00000  120.00000
   61    63    85    70.00000  120.00000
   61    64    66    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    68    63.00000  120.00000
   63    65    70    70.00000  120.00000
   63    85    80    63.00000  120.00000
   63    85    86    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    80    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    80    85    63.00000  120.00000
   72    80    91    60.00000  120.93500
   80    72    73    35.00000  120.00000
   80    85    86    70.00000  120.00000
   80    91    89    60.00000  123.20500
   80    91    92    40.00000  117.26300
   85    63    65    63.00000  120.00000
   85    86    87    85.00000  115.98000
   86    87    88    83.00000  123.40000
   86    87    89    90.00000  111.29400
   87    89    90    40.00000  117.72500
   87    89    91    65.00000  118.96000
   89    87    88    80.00000  123.72100
   89    91    92    35.00000  120.00000
   91    80    85    60.00000  120.93500
   91    89    90    35.00000  120.00000
   70    51    52    35.00000  109.50000
   70    51    61    50.00000  109.50000
   70    65    68    70.00000  120.00000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  111.85700
   64    66    67    83.00000  123.40000
   64    66    71    90.00000  111.29400
   66    71    74    65.00000  118.96000
   66    71    76    65.00000  116.34900
   71    66    67    80.00000  123.72100
   71    74    75    35.00000  120.00000
   71    74    81    70.00000  124.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   81    74    75    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51  -0.46850  1.0 1.0
   43    49    50    51   0.09300 -1.0 2.0
   43    49    50    51  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   43    49    50    57  -0.46850  1.0 1.0
   43    49    50    57   0.09300 -1.0 2.0
   43    49    50    57  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    70   1.11900  1.0 1.0
   49    50    51    70  -1.16350 -1.0 2.0
   49    50    51    70  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63  -0.03700  1.0 1.0
   50    51    61    63   0.37200 -1.0 2.0
   50    51    61    63  -0.47300  1.0 3.0
   50    51    61    64   0.62750  1.0 1.0
   50    51    61    64  -0.30950 -1.0 2.0
   50    51    61    64   0.27300  1.0 3.0
   50    51    70    65  -0.32850  1.0 1.0
   50    51    70    65  -0.35800 -1.0 2.0
   50    51    70    65   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61   -63    65   0.04150 -1.0 2.0
   51    61    63    85   0.04150 -1.0 2.0
   51    61    64    66  -0.25900  1.0 1.0
   51    61    64    66  -0.47000 -1.0 2.0
   51    61    64    66   0.11750  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.43200  1.0 3.0
   52    51    61    64   0.23400  1.0 3.0
   52    51    70    65   0.08050  1.0 3.0
   61    51   -70    65  -0.32850  1.0 1.0
   61    51   -70    65  -0.35800 -1.0 2.0
   61    51   -70    65   0.33950  1.0 3.0
   61    63    65    68   3.62500 -1.0 2.0
   61    63   -65    70   3.62500 -1.0 2.0
   61    63    85    80   3.62500 -1.0 2.0
   61    63    85    86   3.62500 -1.0 2.0
   61    64    66    67   3.00000 -1.0 2.0
   61    64    66    71   2.00000 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    85   0.00000  1.0 1.0
   62    61    64    66   0.08050  1.0 3.0
   63    61    64    66  -0.43900 -1.0 2.0
   63    61    64    66   0.14100  1.0 3.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    72   3.62500 -1.0 2.0
   63    65   -70    51   1.63200 -1.0 2.0
   63    85    86    87   0.01300  1.0 1.0
   63    85    86    87   0.97950 -1.0 2.0
   63    85    86    87  -0.55700  1.0 3.0
   65    63    85    80   3.62500 -1.0 2.0
   65    63    85    86   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   65    68   -72    80   3.62500 -1.0 2.0
   68    65    70    51   1.63200 -1.0 2.0
   68    72    80    85   3.62500 -1.0 2.0
   68    72    80    91   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    80   3.62500 -1.0 2.0
   72    80   -85    63   3.62500 -1.0 2.0
   72    80    85    86   3.62500 -1.0 2.0
   72    80    91    89   0.15800  1.0 1.0
   72    80    91    89   1.85350 -1.0 2.0
   72    80    91    89  -0.48700  1.0 3.0
   72    80    91    92   0.56550  1.0 3.0
   73    72    80    85   3.62500 -1.0 2.0
   73    72    80    91   3.62500 -1.0 2.0
   80    85    86    87   0.01300  1.0 1.0
   80    85    86    87   0.97950 -1.0 2.0
   80    85    86    87  -0.55700  1.0 3.0
   85    63   -65    68   3.62500 -1.0 2.0
   85    63    65    70   3.62500 -1.0 2.0
   85    80    91    89   0.15800  1.0 1.0
   85    80    91    89   1.85350 -1.0 2.0
   85    80    91    89  -0.48700  1.0 3.0
   85    80    91    92   0.56550  1.0 3.0
   85    86    87    88   3.00000 -1.0 2.0
   85    86   -87    89   2.00000 -1.0 2.0
   86    87    89    90   1.63100 -1.0 2.0
   86    87    89    91  -0.56150  1.0 1.0
   86    87    89    91   2.19150 -1.0 2.0
   87    89   -91    80   7.00000 -1.0 2.0
   87    89    91    92   7.00000 -1.0 2.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   1.00000 -1.0 2.0
   90    89    91    80   7.00000 -1.0 2.0
   90    89    91    92   7.00000 -1.0 2.0
   91    80    85    63   3.62500 -1.0 2.0
   91    80   -85    86   3.62500 -1.0 2.0
   70    51    61    62   0.23400  1.0 3.0
   70    51   -61    63  -0.64350  1.0 1.0
   70    51   -61    63  -0.04200 -1.0 2.0
   70    51   -61    63   0.19800  1.0 3.0
   70    51    61    64   1.11900  1.0 1.0
   70    51    61    64  -1.16350 -1.0 2.0
   70    51    61    64  -0.34150  1.0 3.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    72   3.62500 -1.0 2.0
   64    61    63    65   0.64500  1.0 1.0
   64    61    63    65   0.14800 -1.0 2.0
   64    61    63    65   0.20650  1.0 3.0
   64    61    63    85   0.64500  1.0 1.0
   64    61    63    85   0.14800 -1.0 2.0
   64    61    63    85   0.20650  1.0 3.0
   64    66    71    74  -0.56150  1.0 1.0
   64    66    71    74   2.19150 -1.0 2.0
   64    66    71    76  -0.15000  1.0 1.0
   64    66    71    76   0.89550 -1.0 2.0
   64    66    71    76  -0.06900  1.0 3.0
   66    71    74    75   7.00000 -1.0 2.0
   66    71    74    81   7.00000 -1.0 2.0
   66    71    76    77   0.15000  1.0 3.0
   66    71    76    78   0.15000  1.0 3.0
   66    71    76    79   0.15000  1.0 3.0
   67    66    71    74   1.00000 -1.0 2.0
   67    66    71    76  -0.64400  1.0 1.0
   67    66    71    76   0.26850 -1.0 2.0
   71    74    81    82   0.00000  1.0 1.0
   71    74    81    83   0.00000  1.0 1.0
   71    74    81    84   0.00000  1.0 1.0
   74    71    76    77   0.00000  1.0 1.0
   74    71    76    78   0.00000  1.0 1.0
   74    71    76    79   0.00000  1.0 1.0
   75    74    81    82   0.33100  1.0 3.0
   75    74    81    83   0.33100  1.0 3.0
   75    74    81    84   0.33100  1.0 3.0
   76    71    74    75   7.00000 -1.0 2.0
   76    71    74    81   7.00000 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    70   0.62750  1.0 1.0
   53    50    51    70  -0.30950 -1.0 2.0
   53    50    51    70   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    70   0.62750  1.0 1.0
   57    50    51    70  -0.30950 -1.0 2.0
   57    50    51    70   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   65    85    63    61   4.00000 -1.0 2.0
   68    70    65    63   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   80    73    72    68   1.10000 -1.0 2.0
   85    91    80    72   4.00000 -1.0 2.0
   80    86    85    63   4.00000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   87    90    89    91   1.10000 -1.0 2.0
   80    92    91    89   1.10000 -1.0 2.0
   64    71    66    67  10.50000 -1.0 2.0
   66    76    71    74  15.00000 -1.0 2.0
   81    75    74    71  15.00000 -1.0 2.0
END
