* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    161    237     460
    1     0 S   NP   _N1_     1    28.76478    93.50867   -18.05903
    2     1 S   H    _HN1     2     1.02755    77.78369   -60.93676
    3     1 S   H    _H1_     3     1.03038   107.74188    44.58314
    4     1 S   H    _H2_     4     1.02834    31.77384   137.99319
    5     1 S   CT   _CA1     5     1.50145   133.92778  -170.36057
    6     5 S   HC   _HA1     6     1.09566   105.25538    32.58878
    7     5 S   CO3  _C1_     7     1.53830   112.26146   -87.56010
    8     7 S   O2Z  _O11     8     1.26341   115.03523   -41.95567
    9     7 S   O2Z  _O12     9     1.26243   114.93801   137.27983
   10     5 S   CT   _CB1    10     1.53122   107.53832   150.53322
   11    10 S   HC   HB11    11     1.09799   109.49050   -50.03937
   12    10 S   HC   HB12    12     1.09644   110.18778    66.51464
   13    10 S   CT   _CG1    13     1.53039   112.99582  -171.55324
   14    13 S   HC   HG11    14     1.09547   110.18118   -58.56083
   15    13 S   HC   HG12    15     1.09602   110.29664    60.46659
   16    13 S   C    _CD1    16     1.52006   111.96475  -179.52194
   17    16 S   O    _OE1    17     1.22740   122.96838   -21.80973
   18    16 S   N    _N2_    18     1.38567   111.86877   159.18795
   19    18 S   H    _HN2    19     1.01588   118.89328     0.60652
   20    18 S   CT1  _CA2    20     1.46357   123.86044  -179.10060
   21    20 S   HC   _HA2    21     1.09735   109.36365   -16.97678
   22    20 S   C    _C2_    22     1.53473   107.68421  -132.38764
   23    22 S   O    _O2_    23     1.22989   122.46949  -143.64930
   24    20 S   CT   _CB2    32     1.53645   111.42856   105.61171
   25    24 S   HC   HB21    33     1.09544   109.58552    49.26097
   26    24 S   HC   HB22    34     1.09370   110.42495   168.29151
   27    22 S   N    _N3_    24     1.38576   113.20606    43.58455
   28    27 S   H    _HN3    25     1.01530   118.93392    -0.42521
   29    24 S   S    _SG2    35     1.82737   111.58013   -72.62997
   30    27 S   CT   _CA3    26     1.45447   123.37511   175.15390
   31    30 S   HC   HA31    27     1.09528   109.14803    26.02728
   32    30 S   HC   HA32    28     1.09493   107.13917   143.02322
   33    29 S   CT   _C12    36     1.85691   100.67499   156.90953
   34    33 S   HC   _H3_    37     1.09186   107.58441   -18.59674
   35    30 S   CO3  _C3_    29     1.52934   113.19704   -97.38460
   36    35 S   O2Z  _O31    30     1.26396   115.44963   -43.32022
   37    35 S   O2Z  _O32    31     1.26362   114.95169   137.62684
   38    33 S   CM   _C7_    38     1.54380   107.30156    98.76697
   39    38 S   CMA  _C8_    39     1.36358   121.18728    91.47273
   40    39 S   OM   _O37    40     1.26057   132.22759   179.40983
   41    38 S   CT   _C6_    78     1.51857   116.60294   -90.33375
   42    41 S   HC   _H11    79     1.09717   110.57567   160.21568
   43    41 S   HC   _H12    80     1.09469   109.71905    44.65263
   44    39 S   CM   _C9_    41     1.46788   117.46402    -2.83662
   45    44 S   HC   _H13    42     1.08776   119.69289  -152.72071
   46    41 S   CT   _C5_    81     1.53064   112.27150   -77.72303
   47    46 S   HC   _H9_    82     1.09525   110.42053    61.43412
   48    46 S   HC   _H10    83     1.09658   110.12630   -56.64789
   49    44 S   CM   _C10    43     1.34212   120.64154    22.17070
   50    46 S   CT   _C4_    84     1.52108   111.35095  -177.77639
   51    50 S   HC   _H6_    85     1.09466   111.01703    60.48299
   52    50 S   HC   _H7_    86     1.09470   110.97477   -60.06621
   53    50 S   HC   _H8_    87     1.09449   110.24871  -179.79633
   54    33 S   CT   _C11    44     1.56639   114.96456  -139.36739
   55    54 S   CT   _C13    45     1.54152   122.91392    44.03896
   56    55 S   HC   _H4_    46     1.09890   107.26728   147.25105
   57    54 S   OS   _O36    73     1.44936   109.95371   174.85749
   58    55 S   CT   _C14    47     1.53534   103.32882   -98.67916
   59    58 S   HC   _H5_    48     1.09825   110.19631    78.49280
   60    55 S   CT   _C23    69     1.52159   117.73963    28.18875
   61    60 S   HC   _H23    70     1.08946   112.35615   -77.62420
   62    60 S   HC   _H24    71     1.09505   110.03933   163.83651
   63    60 S   HC   _H25    72     1.09365   111.62632    44.59437
   64    57 S   CT   _C24    74     1.41962   116.96153   -73.60130
   65    64 S   HC   _H26    75     1.09385   107.73634   173.70409
   66    64 S   HC   _H27    76     1.09108   112.23113    55.13057
   67    64 S   HC   _H28    77     1.09262   111.23793   -68.63599
   68    58 S   CA   _C15    49     1.51085   116.10441  -157.93544
   69    49 S   OS   _O33    68     1.38601   122.69918  -167.71534
   70    68 S   CA   _C16    50     1.39790   122.10376    53.51360
   71    70 S   HA   _H14    51     1.08719   120.54140     1.50636
   72    70 S   CA   _C17    52     1.39770   120.73518  -178.12779
   73    72 S   HA   _H15    53     1.08556   117.57353   179.18916
   74    72 S   CA   _C18    54     1.39834   120.50611    -0.74362
   75    74 S   CA   _C19    55     1.40531   119.35723    -1.18267
   76    74 S   OS   _O35    63     1.37300   124.71157   179.50504
   77    68 S   CA   _C20    56     1.40412   119.34191  -126.69255
   78    77 S   HA   _H16    57     1.08656   118.24999    -0.26541
   79    75 S   OS   _O34    58     1.37430   116.26589  -179.89347
   80    76 S   CT   _C22    64     1.42230   117.20131    -2.84565
   81    80 S   HC   _H20    65     1.09429   107.73349  -178.32825
   82    80 S   HC   _H21    66     1.09489   111.08709    64.00059
   83    80 S   HC   _H22    67     1.09502   111.20441   -60.58127
   84    79 S   CT   _C21    59     1.42350   116.71530   163.12886
   85    84 S   HC   _H17    60     1.09425   107.69065  -170.20116
   86    84 S   HC   _H18    61     1.09439   110.93470    72.30946
   87    84 S   HC   _H19    62     1.09526   111.49670   -52.23456
  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
  18   7   2   1   1  15  10   4  11   5   4   7   3   6   5   4
  10   3   2   1   1  15  13   9   7  13   5   5   2   1   1   3
   2   1   1  10   2   8   4   7   3  10   9   6   3   1   4   3
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    55    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    49    54    55    56    58    69    60    57    64    41    42    43    46  
   38    39    49    54    55    57    41  
   36    37  
   37  
    0  
   39    40    44    45    49    54    55    57    41    42    43    46    47    48    50  
   40    44    45    49    54    69    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    50    51    52    53    44    54  
   43    46    47    48    50  
   46    47    48    50  
   45    49    54    55    58    69    57  
   49    54    69  
   47    48    50    51    52    53  
   48    50    51    52    53  
   50    51    52    53  
   54    55    56    58    59    68    69    60    57    64  
   51    52    53  
   52    53  
   53  
    0  
   55    56    58    59    68    69    60    61    62    63    57    64    65    66    67  
   56    58    59    68    70    77    69    60    61    62    63    57    64  
   58    59    68    69    60    61    62    63    57  
   64    65    66    67    58    60    69  
   59    68    70    71    72    75    77    78    69    60    61    62    63  
   68    70    77    69    60  
   61    62    63    68    69  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   70    71    72    73    74    75    77    78    79    69  
   70    77  
   71    72    73    74    75    77    78    76  
   72    73    74    77  
   73    74    75    77    79    76    80  
   74    75    76  
   75    77    78    79    84    76    80    81    82    83  
   77    78    79    84    85    86    87    76    80  
   80    81    82    83    77    79  
   78    79    84  
   79  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   69   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   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    54   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    54   317.000  1.510
   49    69   440.000  1.360
   54    55   268.000  1.529
   54    57   320.000  1.410
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    68   317.000  1.510
   58    69   320.000  1.410
   68    70   469.000  1.400
   68    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    79   450.000  1.364
   77    78   367.000  1.080
   79    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    54    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    54    49    70.00000  112.02700
   33    54    55    58.35000  112.70000
   33    54    57    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  112.02700
   39    44    45    40.00000  120.50800
   39    44    49    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    49    54    70.00000  124.00000
   44    49    69    80.00000  120.01400
   49    44    45    35.00000  120.00000
   49    54    55    70.00000  112.02700
   49    54    57    85.00000  110.90400
   49    69    58    90.00000  111.18400
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    55    56    37.50000  110.70000
   54    55    58    58.35000  112.70000
   54    55    60    58.35000  112.70000
   54    57    64    60.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    68    70.00000  112.17500
   55    58    69    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    55    56    37.50000  110.70000
   58    68    70    70.00000  120.00000
   58    68    77    70.00000  120.00000
   68    58    59    35.00000  109.50000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   68    77    75    63.00000  120.00000
   68    77    78    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    79    70.00000  120.00000
   74    76    80    75.00000  111.00000
   75    77    78    35.00000  120.00000
   75    79    84    75.00000  111.00000
   77    68    70    63.00000  120.00000
   79    75    77    70.00000  120.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    74    75    70.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   69    49    54    85.00000  112.85300
   69    58    59    35.00000  109.50000
   69    58    68    85.00000  111.85700
   60    55    56    37.50000  110.70000
   60    55    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   57    54    55    50.00000  109.50000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.44750  1.0 1.0
   29    33    54    55  -0.17800 -1.0 2.0
   29    33    54    55   0.20200  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.46850  1.0 1.0
   33    38    41    46   0.08550 -1.0 2.0
   33    38    41    46   0.09800  1.0 3.0
   33    54    55    56   0.15000  1.0 3.0
   33    54    55    58   0.56750  1.0 1.0
   33    54    55    58  -0.07550 -1.0 2.0
   33    54    55    58   0.20000  1.0 3.0
   33    54    55    60   0.56750  1.0 1.0
   33    54    55    60  -0.07550 -1.0 2.0
   33    54    55    60   0.20000  1.0 3.0
   33    54    57    64   0.06250  1.0 1.0
   33    54    57    64  -0.01100 -1.0 2.0
   33    54    57    64   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    54    49   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57   0.23400  1.0 3.0
   38    33    54    49   0.31000  1.0 1.0
   38    33    54    49   0.14700 -1.0 2.0
   38    33    54    49   0.07550  1.0 3.0
   38    33    54    55   0.34400  1.0 1.0
   38    33    54    55   0.09450 -1.0 2.0
   38    33    54    55   0.11100  1.0 3.0
   38    33    54    57   0.61850  1.0 1.0
   38    33    54    57  -0.22750 -1.0 2.0
   38    33    54    57   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    49   7.00000 -1.0 2.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    48   0.15000  1.0 3.0
   38    41    46    50   0.34400  1.0 1.0
   38    41    46    50   0.09450 -1.0 2.0
   38    41    46    50   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46   0.09850  1.0 1.0
   39    38    41    46   0.15250 -1.0 2.0
   39    38    41    46  -0.50650  1.0 3.0
   39    44    49    54   7.00000 -1.0 2.0
   39    44    49    69   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49   -54    33   0.09850  1.0 1.0
   44    49   -54    33   0.15250 -1.0 2.0
   44    49   -54    33  -0.50650  1.0 3.0
   44    49    54    55   0.09850  1.0 1.0
   44    49    54    55   0.15250 -1.0 2.0
   44    49    54    55  -0.50650  1.0 3.0
   44    49    54    57   0.39000  1.0 1.0
   44    49    54    57  -0.05800 -1.0 2.0
   44    49    54    57  -0.55150  1.0 3.0
   44    49    69    58  -2.26850  1.0 1.0
   44    49    69    58   3.39050 -1.0 2.0
   45    44    49    54   7.00000 -1.0 2.0
   45    44    49    69   7.00000 -1.0 2.0
   49    54    55    56   0.15000  1.0 3.0
   49    54   -55    58   0.34400  1.0 1.0
   49    54   -55    58   0.09450 -1.0 2.0
   49    54   -55    58   0.11100  1.0 3.0
   49    54    55    60   0.34400  1.0 1.0
   49    54    55    60   0.09450 -1.0 2.0
   49    54    55    60   0.11100  1.0 3.0
   49    54    57    64  -0.77900  1.0 1.0
   49    54    57    64  -0.36900 -1.0 2.0
   49    54    57    64   0.40400  1.0 3.0
   54    33   -38    39   0.09850  1.0 1.0
   54    33   -38    39   0.15250 -1.0 2.0
   54    33   -38    39  -0.50650  1.0 3.0
   54    33    38    41   0.46850  1.0 1.0
   54    33    38    41   0.08550 -1.0 2.0
   54    33    38    41   0.09800  1.0 3.0
   54    49   -69    58   2.00000 -1.0 2.0
   54    55    58    59   0.15000  1.0 3.0
   54    55    58    68  -0.03700  1.0 1.0
   54    55    58    68   0.37200 -1.0 2.0
   54    55    58    68  -0.47300  1.0 3.0
   54    55   -58    69   0.62750  1.0 1.0
   54    55   -58    69  -0.30950 -1.0 2.0
   54    55   -58    69   0.27300  1.0 3.0
   54    55    60    61   0.15000  1.0 3.0
   54    55    60    62   0.15000  1.0 3.0
   54    55    60    63   0.15000  1.0 3.0
   54    57    64    65   0.37050  1.0 3.0
   54    57    64    66   0.37050  1.0 3.0
   54    57    64    67   0.37050  1.0 3.0
   55    54    57    64   0.06250  1.0 1.0
   55    54    57    64  -0.01100 -1.0 2.0
   55    54    57    64   0.28050  1.0 3.0
   55    58    68    70   0.04150 -1.0 2.0
   55    58    68    77   0.04150 -1.0 2.0
   55    58   -69    49  -0.46850  1.0 1.0
   55    58   -69    49   0.09300 -1.0 2.0
   55    58   -69    49  -0.12850  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    68   0.43200  1.0 3.0
   56    55    58    69   0.23400  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   58    55    60    61   0.15000  1.0 3.0
   58    55    60    62   0.15000  1.0 3.0
   58    55    60    63   0.15000  1.0 3.0
   58    68    70    71   3.62500 -1.0 2.0
   58    68    70    72   3.62500 -1.0 2.0
   58    68    77    75   3.62500 -1.0 2.0
   58    68    77    78   3.62500 -1.0 2.0
   59    58    68    70   0.00000  1.0 1.0
   59    58    68    77   0.00000  1.0 1.0
   59    58    69    49   0.08050  1.0 3.0
   68    58    69    49  -0.48150  1.0 1.0
   68    58    69    49   0.09250 -1.0 2.0
   68    58    69    49  -0.12850  1.0 3.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   70    68    77    75   3.62500 -1.0 2.0
   70    68    77    78   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    75    79   3.62500 -1.0 2.0
   72    74    76    80   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75   -77    68   3.62500 -1.0 2.0
   74    75    77    78   3.62500 -1.0 2.0
   74    75    79    84   1.63200 -1.0 2.0
   74    76    80    81   0.08050  1.0 3.0
   74    76    80    82   0.08050  1.0 3.0
   74    76    80    83   0.08050  1.0 3.0
   75    74    76    80   1.63200 -1.0 2.0
   75    79    84    85   0.08050  1.0 3.0
   75    79    84    86   0.08050  1.0 3.0
   75    79    84    87   0.08050  1.0 3.0
   77    68    70    71   3.62500 -1.0 2.0
   77    68   -70    72   3.62500 -1.0 2.0
   77    75    79    84   1.63200 -1.0 2.0
   79    75    77    68   3.62500 -1.0 2.0
   79    75    77    78   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    79   3.62500 -1.0 2.0
   69    49    54    33   0.09700  1.0 1.0
   69    49    54    33   0.15600 -1.0 2.0
   69    49    54    33  -0.50800  1.0 3.0
   69    49   -54    55   0.09700  1.0 1.0
   69    49   -54    55   0.15600 -1.0 2.0
   69    49   -54    55  -0.50800  1.0 3.0
   69    49    54    57   0.09700  1.0 1.0
   69    49    54    57   0.15600 -1.0 2.0
   69    49    54    57  -0.50800  1.0 3.0
   69    58    68    70   0.64500  1.0 1.0
   69    58    68    70   0.14800 -1.0 2.0
   69    58    68    70   0.20650  1.0 3.0
   69    58    68    77   0.64500  1.0 1.0
   69    58    68    77   0.14800 -1.0 2.0
   69    58    68    77   0.20650  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    68  -0.03700  1.0 1.0
   60    55    58    68   0.37200 -1.0 2.0
   60    55    58    68  -0.47300  1.0 3.0
   60    55    58    69   0.62750  1.0 1.0
   60    55    58    69  -0.30950 -1.0 2.0
   60    55    58    69   0.27300  1.0 3.0
   57    54    55    56   0.23400  1.0 3.0
   57    54    55    58   0.62750  1.0 1.0
   57    54    55    58  -0.30950 -1.0 2.0
   57    54    55    58   0.27300  1.0 3.0
   57    54    55    60   0.62750  1.0 1.0
   57    54    55    60  -0.30950 -1.0 2.0
   57    54    55    60   0.27300  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    53   0.15000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    50   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  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    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    49   1.10000 -1.0 2.0
   54    69    49    44   1.10000 -1.0 2.0
   70    77    68    58   4.00000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    79    75    74   4.00000 -1.0 2.0
   75    78    77    68   1.10000 -1.0 2.0
END
