* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    29.40675    95.93246   -19.15271
    2     1 S   H    _HN1     2     1.02757    77.42978   -61.14611
    3     1 S   H    _H1_     3     1.02989    91.76289    47.27528
    4     1 S   H    _H2_     4     1.02813    41.25741   161.54073
    5     1 S   CT   _CA1     5     1.50250   150.24629  -174.19029
    6     5 S   HC   _HA1     6     1.09590   105.14232    42.51651
    7     5 S   CO3  _C1_     7     1.53780   112.11381   -77.20189
    8     7 S   O2Z  _O11     8     1.26350   114.98128   -44.36764
    9     7 S   O2Z  _O12     9     1.26241   114.85000   134.01540
   10     5 S   CT   _CB1    10     1.53014   107.14689   159.96925
   11    10 S   HC   HB11    11     1.09814   108.90156   -52.49106
   12    10 S   HC   HB12    12     1.09776   110.46126    63.67518
   13    10 S   CT   _CG1    13     1.53019   113.04535  -173.87631
   14    13 S   HC   HG11    14     1.09449   110.30153   -64.70139
   15    13 S   HC   HG12    15     1.09641   110.22591    54.17584
   16    13 S   C    _CD1    16     1.51914   111.85216   173.46796
   17    16 S   O    _OE1    17     1.22827   122.82059   -21.94606
   18    16 S   N    _N2_    18     1.38541   112.32852   160.21585
   19    18 S   H    _HN2    19     1.01668   119.15388    -3.36598
   20    18 S   CT1  _CA2    20     1.46145   123.16189   175.12766
   21    20 S   HC   _HA2    21     1.09744   109.19776    -6.75410
   22    20 S   C    _C2_    22     1.53486   109.17921  -121.91892
   23    22 S   O    _O2_    23     1.23067   122.08854  -154.71733
   24    20 S   CT   _CB2    32     1.53239   111.86837   115.34405
   25    24 S   HC   HB21    33     1.09267   110.28452    55.19032
   26    24 S   HC   HB22    34     1.09529   110.42201   172.86634
   27    22 S   N    _N3_    24     1.38273   113.91922    32.87141
   28    27 S   H    _HN3    25     1.01630   119.46154    -3.72993
   29    24 S   S    _SG2    35     1.82750   111.98540   -68.96624
   30    27 S   CT   _CA3    26     1.45281   123.09468   176.97011
   31    30 S   HC   HA31    27     1.09551   107.53711   -64.02102
   32    30 S   HC   HA32    28     1.09559   107.96339    52.36156
   33    29 S   CT   _C25    36     1.83828   100.51504   125.18502
   34    33 S   HC   _H3_    37     1.09360   105.79862    45.84505
   35    30 S   CO3  _C3_    29     1.52917   114.13367   174.48140
   36    35 S   O2Z  _O31    30     1.26361   116.06459     2.19989
   37    35 S   O2Z  _O32    31     1.26435   114.43398  -177.82588
   38    33 S   CM   _C11    38     1.53444   111.33597   -75.93316
   39    33 S   CT   _C23    89     1.53078   108.47706   158.72661
   40    39 S   HC   _H52    90     1.09553   112.73059    56.38774
   41    39 S   HC   _H53    91     1.09581   110.68709   177.33494
   42    39 S   HC   _H54    92     1.09649   110.75634   -64.08155
   43    38 S   CMA  _C12    39     1.37015   123.03794   113.44354
   44    43 S   OM   _O23    40     1.26856   124.64934  -179.98022
   45    38 S   CT   _C24    79     1.52765   115.84469   -66.89327
   46    45 S   HC   _H55    80     1.09532   110.64608    41.11616
   47    45 S   HC   _H56    81     1.09478   112.32457   160.37940
   48    43 S   OS   _O28    41     1.41653   111.54619     0.34718
   49    45 S   OS   _O29    82     1.43701   109.19636   -79.75037
   50    48 S   CT   _C19    42     1.43543   119.44111   175.64877
   51    50 S   HC   _H42    43     1.09676   110.27781    28.80356
   52    49 S   CO4  _C13    83     1.36240   115.46654   173.25046
   53    52 S   O    _O25    84     1.22360   126.45487    -1.25195
   54    50 S   CT   _C15    44     1.56058   111.64115   -86.51961
   55    54 S   HC   _H37    45     1.09826   107.63249  -179.75292
   56    54 S   HC   _H38    46     1.09817   108.45390    67.11791
   57    50 S   CT   _C18    60     1.55735   108.83528   143.86468
   58    57 S   HC   _H41    61     1.09994   107.93898   168.23633
   59    52 S   CT   _C22    85     1.49828   109.46501   179.07910
   60    59 S   HC   _H49    86     1.09292   109.83532   -60.54180
   61    59 S   HC   _H50    87     1.09378   109.36580  -179.55809
   62    59 S   HC   _H51    88     1.09292   109.81053    61.35870
   63    54 S   CM   _C7_    47     1.51660   118.25212   -54.50026
   64    57 S   CM   _C8_    62     1.50520   115.51459   -73.93462
   65    63 S   CM   _C5_    48     1.35060   120.37656  -108.78705
   66    65 S   HC   _H32    49     1.08963   118.32134    -3.58414
   67    64 S   CO4  _C9_    63     1.47859   108.54743   153.86406
   68    67 S   O    _O24    64     1.21734   127.18914   165.30159
   69    64 S   CM   _C10    66     1.33680   131.34313   -24.73549
   70    69 S   HC   _H33    67     1.08382   121.96356    -0.87492
   71    69 S   HC   _H34    68     1.08555   121.55513   179.26671
   72    63 S   CT   _C21    75     1.50390   115.79902    70.34160
   73    72 S   HC   _H46    76     1.09106   110.83626   -80.61282
   74    72 S   HC   _H47    77     1.09296   112.73914   157.90818
   75    72 S   HC   _H48    78     1.09533   110.43688    39.63994
   76    65 S   CT   _C17    50     1.51323   126.01924   163.42783
   77    76 S   HC   _H40    51     1.09322   111.95355    24.88870
   78    91 S   OS   _O26    65     1.43951   107.22415   116.06488
   79    76 S   CT   _C14    52     1.55379   110.76581   -97.58435
   80    79 S   HC   _H35    53     1.09910   109.55473   -75.13282
   81    79 S   HC   _H36    54     1.09725   109.84429   170.48264
   82    76 S   OH   _O27    73     1.42523   108.08011   142.58432
   83    82 S   HO   _H58    74     0.97231   107.41475   179.17504
   84    79 S   CM   _C6_    55     1.52048   111.43509    47.52237
   85    84 S   CM   _C4_    56     1.34847   117.73848   -85.76837
   86    85 S   HC   _H31    57     1.09072   117.37402   -10.79426
   87    84 S   CT   _C20    69     1.50020   115.93698    86.90661
   88    87 S   HC   _H43    70     1.09364   110.92224   -55.52137
   89    87 S   HC   _H44    71     1.09252   113.17962  -177.09357
   90    87 S   HC   _H45    72     1.09531   109.60364    63.61554
   91    85 S   CT   _C16    58     1.49776   128.13897   158.90143
   92    91 S   HC   _H39    59     1.09389   112.16697    -1.54205
  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  13   5   2   1   1  10   3   7   3   2  10
   6  16   8   5   4  14   5   4  14   7   3   2   1   1  10   9
  13   5   8   3   4   1   1   4   2   1   1   9   6   5  12   5
   4   2   1   8   7   3   4   2   1   1   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    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    50    45    46    47    49    52    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    50    51    54    57    45    46    47    49  
   48    50    45  
   46    47    49    52    53    59    48  
   47    49    52  
   49    52  
   50    51    54    55    56    63    91    57    58    64  
   52    53    59    60    61    62  
   51    54    55    56    63    65    85    91    92    57    58    64    67    78    69    72  
   54    55    56    63    91    57    58    64  
   53    59    60    61    62  
   59    60    61    62  
   55    56    63    65    66    76    91    57    58    64    72    73    74    75  
   56    63    65    57    72  
   63    65    57    72  
   58    64    67    68    78    69    70    71    63    84    85    86    91    92  
   64    67    78    69    85    91    92  
   60    61    62  
   61    62  
   62  
    0  
   65    66    76    77    79    82    72    73    74    75  
   67    68    78    69    70    71    85    91    92  
   66    76    77    79    80    81    84    82    83    72    73    74    75  
   76    77    79    82    72  
   68    78    69    70    71    85    91    92  
   78    69    91  
   70    71    78    91  
   71  
    0  
   73    74    75    76  
   74    75  
   75  
    0  
   77    79    80    81    84    85    87    82    83  
   79    80    81    84    82    83  
   84    85    86    91    92  
   80    81    84    85    86    91    87    88    89    90    82    83  
   81    84    85    87    82  
   84    85    87    82  
   83    84  
    0  
   85    86    91    92    87    88    89    90  
   86    91    92    87    88    89    90  
   91    92    87  
   88    89    90    91  
   89    90  
   90  
    0  
   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  -0.670200   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   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   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    48   440.000  1.360
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   317.000  1.510
   63    65   549.000  1.340
   63    72   317.000  1.510
   65    66   340.000  1.080
   65    76   317.000  1.510
   76    77   340.000  1.090
   76    79   268.000  1.529
   76    82   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   317.000  1.510
   84    85   549.000  1.340
   84    87   317.000  1.510
   85    86   340.000  1.080
   85    91   317.000  1.510
   91    92   340.000  1.090
   91    57   268.000  1.529
   91    78   320.000  1.410
   57    58   340.000  1.090
   57    64   317.000  1.510
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    78   214.000  1.327
   69    70   340.000  1.080
   69    71   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    85.00000  110.90400
   43    48    50    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    50    51    35.00000  109.50000
   48    50    54    50.00000  109.50000
   48    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    70.00000  112.02700
   50    57    91    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    64    70.00000  112.02700
   54    50    51    37.50000  110.70000
   54    63    65    70.00000  124.00000
   54    63    72    65.00000  117.92700
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    76    70.00000  124.00000
   63    72    73    35.00000  109.50000
   63    72    74    35.00000  109.50000
   63    72    75    35.00000  109.50000
   65    76    77    35.00000  109.50000
   65    76    79    70.00000  112.02700
   65    76    82    90.00000  110.39200
   76    65    66    35.00000  117.00000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    84    70.00000  112.02700
   76    82    83    55.00000  108.50000
   79    76    77    37.50000  110.70000
   79    84    85    70.00000  124.00000
   79    84    87    65.00000  117.92700
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    85    86    35.00000  120.00000
   84    85    91    70.00000  124.00000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   85    91    92    35.00000  109.50000
   85    91    57    70.00000  112.02700
   85    91    78    85.00000  110.90400
   91    85    86    35.00000  117.00000
   91    57    58    37.50000  110.70000
   91    57    64    70.00000  112.02700
   91    78    67    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    91    92    37.50000  110.70000
   57    64    67    65.00000  116.34900
   57    64    69    70.00000  124.00000
   64    57    58    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    78    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   78    91    92    35.00000  109.50000
   78    91    57    50.00000  109.50000
   78    67    68    83.00000  123.40000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   87    84    85    70.00000  124.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    79    50.00000  109.50000
   72    63    65    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    52    53    83.00000  123.40000
   49    52    59    81.00000  111.40000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   59    52    53    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    48   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    49   0.09700  1.0 1.0
   33    38    45    49   0.15600 -1.0 2.0
   33    38    45    49  -0.50800  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    48    50  -2.26850  1.0 1.0
   38    43    48    50   3.39050 -1.0 2.0
   38    45    49    52  -0.82050  1.0 1.0
   38    45    49    52   0.00600 -1.0 2.0
   38    45    49    52   0.04400  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.39000  1.0 1.0
   43    38    45    49  -0.05800 -1.0 2.0
   43    38    45    49  -0.55150  1.0 3.0
   43    48    50    51   0.08050  1.0 3.0
   43    48    50    54  -0.46850  1.0 1.0
   43    48    50    54   0.09300 -1.0 2.0
   43    48    50    54  -0.12850  1.0 3.0
   43    48    50    57  -0.46850  1.0 1.0
   43    48    50    57   0.09300 -1.0 2.0
   43    48    50    57  -0.12850  1.0 3.0
   44    43    48    50   2.00000 -1.0 2.0
   48    50    54    55   0.23400  1.0 3.0
   48    50    54    56   0.23400  1.0 3.0
   48    50    54    63   0.61850  1.0 1.0
   48    50    54    63  -0.22750 -1.0 2.0
   48    50    54    63   0.15300  1.0 3.0
   48    50    57    91   0.62750  1.0 1.0
   48    50    57    91  -0.30950 -1.0 2.0
   48    50    57    91   0.27300  1.0 3.0
   48    50    57    58   0.23400  1.0 3.0
   48    50    57    64   0.61850  1.0 1.0
   48    50    57    64  -0.22750 -1.0 2.0
   48    50    57    64   0.15300  1.0 3.0
   50    54    63    65   0.09850  1.0 1.0
   50    54    63    65   0.15250 -1.0 2.0
   50    54    63    65  -0.50650  1.0 3.0
   50    54    63    72   0.46850  1.0 1.0
   50    54    63    72   0.08550 -1.0 2.0
   50    54    63    72   0.09800  1.0 3.0
   50    57    64    67   0.09700  1.0 1.0
   50    57    64    67   0.15600 -1.0 2.0
   50    57    64    67  -0.50800  1.0 3.0
   50    57    64    69   0.09850  1.0 1.0
   50    57    64    69   0.15250 -1.0 2.0
   50    57    64    69  -0.50650  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   51    50    57    91   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    64   0.15000  1.0 3.0
   54    50    57    91   0.56750  1.0 1.0
   54    50    57    91  -0.07550 -1.0 2.0
   54    50    57    91   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    64   0.34400  1.0 1.0
   54    50    57    64   0.09450 -1.0 2.0
   54    50    57    64   0.11100  1.0 3.0
   54    63    65    66   7.00000 -1.0 2.0
   54    63    65    76   7.00000 -1.0 2.0
   54    63    72    73   0.34800  1.0 3.0
   54    63    72    74   0.34800  1.0 3.0
   54    63    72    75   0.34800  1.0 3.0
   55    54    63    65   0.00000  1.0 1.0
   55    54    63    72   0.34800  1.0 3.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    72   0.34800  1.0 3.0
   63    65    76    77   0.00000  1.0 1.0
   63    65    76    79   0.09850  1.0 1.0
   63    65    76    79   0.15250 -1.0 2.0
   63    65    76    79  -0.50650  1.0 3.0
   63    65    76    82   0.67800  1.0 1.0
   63    65    76    82   0.47050 -1.0 2.0
   63    65    76    82  -0.62500  1.0 3.0
   65    63    72    73   0.00000  1.0 1.0
   65    63    72    74   0.00000  1.0 1.0
   65    63    72    75   0.00000  1.0 1.0
   65    76    79    80   0.15000  1.0 3.0
   65    76    79    81   0.15000  1.0 3.0
   65    76    79    84   0.31000  1.0 1.0
   65    76    79    84   0.14700 -1.0 2.0
   65    76    79    84   0.07550  1.0 3.0
   65    76    82    83  -0.07800  1.0 1.0
   65    76    82    83  -0.21500 -1.0 2.0
   65    76    82    83  -0.03150  1.0 3.0
   66    65    76    77   0.33100  1.0 3.0
   66    65    76    79   0.00000  1.0 1.0
   66    65    76    82   0.00000  1.0 1.0
   76    79    84    85   0.09850  1.0 1.0
   76    79    84    85   0.15250 -1.0 2.0
   76    79    84    85  -0.50650  1.0 3.0
   76    79    84    87   0.46850  1.0 1.0
   76    79    84    87   0.08550 -1.0 2.0
   76    79    84    87   0.09800  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    84   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   79    76    82    83  -0.11600  1.0 1.0
   79    76    82    83  -0.09450 -1.0 2.0
   79    76    82    83   0.21250  1.0 3.0
   79    84    85    86   7.00000 -1.0 2.0
   79    84    85    91   7.00000 -1.0 2.0
   79    84    87    88   0.34800  1.0 3.0
   79    84    87    89   0.34800  1.0 3.0
   79    84    87    90   0.34800  1.0 3.0
   80    79    84    85   0.00000  1.0 1.0
   80    79    84    87   0.34800  1.0 3.0
   81    79    84    85   0.00000  1.0 1.0
   81    79    84    87   0.34800  1.0 3.0
   84    85    91    92   0.00000  1.0 1.0
   84    85    91    57   0.09850  1.0 1.0
   84    85    91    57   0.15250 -1.0 2.0
   84    85    91    57  -0.50650  1.0 3.0
   84    85    91    78   0.39000  1.0 1.0
   84    85    91    78  -0.05800 -1.0 2.0
   84    85    91    78  -0.55150  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   85    84    87    90   0.00000  1.0 1.0
   85    91    57    50   0.34400  1.0 1.0
   85    91    57    50   0.09450 -1.0 2.0
   85    91    57    50   0.11100  1.0 3.0
   85    91    57    58   0.15000  1.0 3.0
   85    91    57    64   0.31000  1.0 1.0
   85    91    57    64   0.14700 -1.0 2.0
   85    91    57    64   0.07550  1.0 3.0
   85    91    78    67  -0.82050  1.0 1.0
   85    91    78    67   0.00600 -1.0 2.0
   85    91    78    67   0.04400  1.0 3.0
   86    85    91    92   0.33100  1.0 3.0
   86    85    91    57   0.00000  1.0 1.0
   86    85    91    78   0.00000  1.0 1.0
   91    57   -64    67   0.09700  1.0 1.0
   91    57   -64    67   0.15600 -1.0 2.0
   91    57   -64    67  -0.50800  1.0 3.0
   91    57    64    69   0.09850  1.0 1.0
   91    57    64    69   0.15250 -1.0 2.0
   91    57    64    69  -0.50650  1.0 3.0
   92    91    57    50   0.15000  1.0 3.0
   92    91    57    58   0.15000  1.0 3.0
   92    91    57    64   0.15000  1.0 3.0
   92    91    78    67   0.08050  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.34400  1.0 1.0
   57    50    54    63   0.09450 -1.0 2.0
   57    50    54    63   0.11100  1.0 3.0
   57    91   -78    67  -0.25900  1.0 1.0
   57    91   -78    67  -0.47000 -1.0 2.0
   57    91   -78    67   0.11750  1.0 3.0
   57    64    67    68  -0.64400  1.0 1.0
   57    64    67    68   0.26850 -1.0 2.0
   57    64   -67    78  -0.15000  1.0 1.0
   57    64   -67    78   0.89550 -1.0 2.0
   57    64   -67    78  -0.06900  1.0 3.0
   57    64    69    70   7.00000 -1.0 2.0
   57    64    69    71   7.00000 -1.0 2.0
   58    57    64    67   0.15000  1.0 3.0
   58    57    64    69   0.00000  1.0 1.0
   64    67   -78    91   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   68    67    78    91   3.00000 -1.0 2.0
   78    91    57    50   0.62750  1.0 1.0
   78    91    57    50  -0.30950 -1.0 2.0
   78    91    57    50   0.27300  1.0 3.0
   78    91    57    58   0.23400  1.0 3.0
   78    91   -57    64   0.61850  1.0 1.0
   78    91   -57    64  -0.22750 -1.0 2.0
   78    91   -57    64   0.15300  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    78  -0.56150  1.0 1.0
   69    64    67    78   2.19150 -1.0 2.0
   87    84    85    86   7.00000 -1.0 2.0
   87    84    85    91   7.00000 -1.0 2.0
   82    76    79    80   0.23400  1.0 3.0
   82    76    79    81   0.23400  1.0 3.0
   82    76    79    84   1.05650  1.0 1.0
   82    76    79    84   0.15600 -1.0 2.0
   82    76    79    84   0.53150  1.0 3.0
   72    63    65    66   7.00000 -1.0 2.0
   72    63    65    76   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    59   1.63150  1.0 1.0
   45    49    52    59   2.92000 -1.0 2.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52   0.08050  1.0 3.0
   49    52    59    60   0.00000  1.0 1.0
   49    52    59    61   0.00000  1.0 1.0
   49    52    59    62   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    61   0.00000  1.0 1.0
   53    52    59    62   0.00000  1.0 1.0
   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
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   54    72    63    65   1.10000 -1.0 2.0
   76    66    65    63   1.10000 -1.0 2.0
   79    87    84    85   1.10000 -1.0 2.0
   91    86    85    84   1.10000 -1.0 2.0
   57    67    64    69   1.10000 -1.0 2.0
   64    78    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   49    59    52    53  10.50000 -1.0 2.0
END
