* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    165    251     477
    1     0 S   NP   _N1_     1    28.75593    97.24338   -23.02476
    2     1 S   H    _HN1     2     1.02836    40.43783   149.99428
    3     1 S   H    _H1_     3     1.02794   110.34141  -116.08196
    4     1 S   H    _H2_     4     1.02953    68.11641   -13.81177
    5     1 S   CT   _CA1     5     1.50088   135.07874    83.71776
    6     5 S   HC   _HA1     6     1.09588   105.22132    98.65914
    7     5 S   CO3  _C1_     7     1.53776   112.36187   -21.58796
    8     7 S   O2Z  _O11     8     1.26340   115.06728   -45.56999
    9     7 S   O2Z  _O12     9     1.26276   114.90927   133.43631
   10     5 S   CT   _CB1    10     1.53077   107.44751  -143.35573
   11    10 S   HC   HB11    11     1.09834   109.41654   -49.60393
   12    10 S   HC   HB12    12     1.09804   110.50787    67.04698
   13    10 S   CT   _CG1    13     1.52956   112.49804  -170.49289
   14    13 S   HC   HG11    14     1.09582   110.75128   -65.79742
   15    13 S   HC   HG12    15     1.09665   109.65246    53.31077
   16    13 S   C    _CD1    16     1.51840   112.13865   173.88249
   17    16 S   O    _OE1    17     1.22728   123.42271    11.29055
   18    16 S   N    _N2_    18     1.38500   111.62187  -168.81223
   19    18 S   H    _HN2    19     1.01546   119.04160    -0.82044
   20    18 S   CT1  _CA2    20     1.46138   123.17316   177.87827
   21    20 S   HC   _HA2    21     1.09725   108.42611    33.55823
   22    20 S   C    _C2_    22     1.53399   110.63844   -83.14344
   23    22 S   O    _O2_    23     1.23148   120.96281   164.84573
   24    20 S   CT   _CB2    32     1.53284   111.16506   156.23396
   25    24 S   HC   HB21    33     1.09430   109.59190    55.93697
   26    24 S   HC   HB22    34     1.09527   110.75399   174.22355
   27    22 S   N    _N3_    24     1.38053   114.79556   -20.67630
   28    27 S   H    _HN3    25     1.01535   119.31135     4.71260
   29    24 S   S    _SG2    35     1.82833   111.01233   -66.21672
   30    27 S   CT   _CA3    26     1.45247   123.36525  -177.43135
   31    30 S   HC   HA31    27     1.09545   108.24198   -48.78386
   32    30 S   HC   HA32    28     1.09552   107.27015    67.65487
   33    29 S   CT   _C23    36     1.84396    99.83469   150.51928
   34    33 S   HC   _H3_    37     1.09539   104.61369    47.68677
   35    30 S   CO3  _C3_    29     1.52967   114.02080  -170.59757
   36    35 S   O2Z  _O31    30     1.26375   116.04752    12.57597
   37    35 S   O2Z  _O32    31     1.26420   114.47273  -167.69927
   38    33 S   CM   _C9_    38     1.53591   111.07715   -73.09263
   39    33 S   CT   _C22    84     1.53660   109.86254   162.65563
   40    39 S   HC   _H50    85     1.09512   112.58359    49.40161
   41    39 S   HC   _H51    86     1.09604   110.74479   169.71136
   42    38 S   CMA  _C10    39     1.36819   122.04669   124.39541
   43    42 S   OM   _O21    40     1.26861   124.93291     2.03567
   44    38 S   CT   _C20    80     1.52065   115.67203   -56.61559
   45    44 S   HC   _H45    81     1.09399   111.02039   -42.32000
   46    44 S   HC   _H46    82     1.09419   110.60774    78.17970
   47    44 S   HC   _H47    83     1.09393   113.37812  -160.97638
   48    39 S   OH   _O26    87     1.42617   111.02254   -71.55338
   49    48 S   HO   _H54    88     0.97257   107.40964   -59.04119
   50    42 S   OS   _O27    41     1.41532   110.94680  -177.12690
   51    50 S   CT   _C17    42     1.43531   120.01667   179.27207
   52    51 S   HC   _H41    43     1.09748   109.68527    33.69026
   53    51 S   CT   _C12    44     1.55526   111.95147   -82.56998
   54    53 S   HC   _H34    45     1.09828   107.51886   179.18483
   55    53 S   HC   _H35    46     1.09761   108.93724    65.87683
   56    51 S   CT   _C14    61     1.55862   108.11479   148.83116
   57    56 S   HC   _H38    62     1.09848   108.33522   173.85012
   58    53 S   CM   _C5_    47     1.51522   117.82708   -55.83365
   59    56 S   CM   _C6_    63     1.50410   113.89893   -67.92376
   60    58 S   CM   _C4_    48     1.34837   120.03379  -111.93443
   61    60 S   HC   _H29    49     1.08947   118.36337    -2.91081
   62    59 S   CO4  _C7_    64     1.47399   109.64878   144.95469
   63    62 S   O    _O22    65     1.21782   127.11703   170.82930
   64    59 S   CM   _C8_    67     1.33746   130.42156   -34.11747
   65    64 S   HC   _H30    68     1.08403   121.75186    -0.85912
   66    64 S   HC   _H31    69     1.08556   121.68570   179.29224
   67    58 S   CT   _C19    76     1.50264   115.75877    68.57205
   68    67 S   HC   _H42    77     1.09224   111.10504   -76.93994
   69    67 S   HC   _H43    78     1.09160   113.06117   161.66685
   70    67 S   HC   _H44    79     1.09490   110.05555    43.27212
   71    60 S   CT   _C11    50     1.50670   126.94920   167.56235
   72    71 S   HC   _H32    51     1.09303   112.25531    18.75252
   73    71 S   HC   _H33    52     1.09599   109.03512   136.24021
   74    84 S   OS   _O23    66     1.44172   107.72523   106.59890
   75    71 S   CT   _C13    53     1.54243   110.46268  -103.34465
   76    75 S   HC   _H36    54     1.09602   109.32554   175.48916
   77    75 S   HC   _H37    55     1.09816   109.13274   -68.90696
   78    75 S   C3T  _C18    56     1.51405   111.75088    53.07089
   79    78 S   C3T  _C16    57     1.53415   114.98174   -83.03399
   80    79 S   HC   _H40    58     1.08280   120.09983    -6.32633
   81    78 S   CT   _C21    71     1.50282   117.55087    75.64044
   82    81 S   HC   _H48    72     1.09203   111.03684   -60.19418
   83    81 S   HC   _H49    73     1.09404   112.08987   178.25146
   84    79 S   CT   _C15    59     1.49939   122.50470   148.00334
   85    84 S   HC   _H39    60     1.09380   111.18876   -10.25035
   86    78 S   O3T  _O24    70     1.43342   116.67934  -147.89290
   87    81 S   OH   _O25    74     1.42455   109.69820    59.10352
   88    87 S   HO   _H53    75     0.97636   106.38239   179.51101
  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
  14   7   2   1   1  12   6   3   2  10   3   4   2   1   1   1
   1  10  16   8  14   5   4  15   7  10   9  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   6  11   5   4  10   8   4
   6   4   3   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    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    50    44    45    46    47    39    40    41    48    49  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    50    51    44    45    46    47    39    40    41    48  
   40    41    48    49    42    44  
   41    48    49  
   48    49  
   43    50    51    52    53    56    44    45    46    47  
   50    51    44  
   45    46    47    50  
   46    47  
   47  
    0  
   49  
    0  
   51    52    53    54    55    58    84    56    57    59  
   52    53    54    55    58    60    79    84    85    56    57    59    62    74    64    67  
   53    54    55    58    84    56    57    59  
   54    55    58    60    61    71    84    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    74    64    65    66    86    58    78    79    80    84    85  
   59    62    74    64    79    84    85  
   60    61    71    72    73    75    67    68    69    70  
   62    63    74    64    65    66    79    84    85  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    79    84    85  
   74    64    84  
   65    66    74    84  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    78    79    86    81  
   73    75    76    77    78  
   75    76    77    78  
   86    78    79    80    84    85  
   76    77    78    79    80    84    86    81    82    83    87  
   77    78    79    86    81  
   78    79    86    81  
   79    80    84    85    86    81    82    83    87    88  
   80    84    85    86    81    82    83    87  
   84    85    86    81  
   82    83    87    88    84    86  
   83    87    88    86  
   87    88    86  
   85    86  
   86  
   87  
   88  
    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   0.145000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    50   440.000  1.360
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    67   317.000  1.510
   60    61   340.000  1.080
   60    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   275.000  1.510
   78    79   260.000  1.509
   78    86   335.000  1.432
   78    81   275.000  1.510
   79    80   340.000  1.088
   79    84   275.000  1.510
   79    86   335.000  1.432
   84    85   340.000  1.090
   84    56   268.000  1.529
   84    74   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   320.000  1.410
   87    88   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   320.000  1.410
   48    49   553.000  0.945
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    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    50    80.00000  120.01400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    50    51    90.00000  111.18400
   50    42    43    65.00000  121.00000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    84    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    67    65.00000  117.92700
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    71    70.00000  124.00000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   60    71    75    70.00000  112.02700
   71    60    61    35.00000  117.00000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    70.00000  112.37300
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    78    79    60.00000  120.94000
   75    78    86    80.00000  116.47100
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    45.00000  109.38400
   78    75    77    45.00000  109.38400
   78    79    80    37.50000  117.20000
   78    79    84    60.00000  120.94000
   78    79    86    15.00000   60.43100
   78    86    79    15.00000   59.14900
   78    81    82    45.00000  109.38400
   78    81    83    45.00000  109.38400
   78    81    87    50.00000  109.50000
   79    84    85    45.00000  109.38400
   79    84    56    70.00000  112.37300
   79    84    74    50.00000  109.50000
   84    79    80    40.00000  115.04500
   84    56    57    37.50000  110.70000
   84    56    59    70.00000  112.02700
   84    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    84    85    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    74    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   74    84    85    35.00000  109.50000
   74    84    56    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   86    78    79    15.00000   60.43100
   86    79    80    50.00000  114.27700
   86    79    84    80.00000  116.47100
   81    78    79    60.00000  120.94000
   81    78    86    80.00000  116.47100
   81    87    88    55.00000  108.50000
   83    81    82    33.00000  107.80000
   87    81    82    35.00000  109.50000
   87    81    83    35.00000  109.50000
   67    58    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    55.00000  108.50000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49  -0.11600  1.0 1.0
   33    39    48    49  -0.09450 -1.0 2.0
   33    39    48    49   0.21250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   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    48   0.23400  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    48   1.05650  1.0 1.0
   38    33    39    48   0.15600 -1.0 2.0
   38    33    39    48   0.53150  1.0 3.0
   38    42    50    51  -2.26850  1.0 1.0
   38    42    50    51   3.39050 -1.0 2.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    50    51    52   0.08050  1.0 3.0
   42    50    51    53  -0.46850  1.0 1.0
   42    50    51    53   0.09300 -1.0 2.0
   42    50    51    53  -0.12850  1.0 3.0
   42    50    51    56  -0.46850  1.0 1.0
   42    50    51    56   0.09300 -1.0 2.0
   42    50    51    56  -0.12850  1.0 3.0
   43    42    50    51   2.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.61850  1.0 1.0
   50    51    53    58  -0.22750 -1.0 2.0
   50    51    53    58   0.15300  1.0 3.0
   50    51    56    84   0.62750  1.0 1.0
   50    51    56    84  -0.30950 -1.0 2.0
   50    51    56    84   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    67   0.46850  1.0 1.0
   51    53    58    67   0.08550 -1.0 2.0
   51    53    58    67   0.09800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    84   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    84   0.56750  1.0 1.0
   53    51    56    84  -0.07550 -1.0 2.0
   53    51    56    84   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    71   7.00000 -1.0 2.0
   53    58    67    68   0.34800  1.0 3.0
   53    58    67    69   0.34800  1.0 3.0
   53    58    67    70   0.34800  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    67   0.34800  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    67   0.34800  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   58    60    71    75   0.09850  1.0 1.0
   58    60    71    75   0.15250 -1.0 2.0
   58    60    71    75  -0.50650  1.0 3.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   60    58    67    70   0.00000  1.0 1.0
   60    71    75    76   0.15000  1.0 3.0
   60    71    75    77   0.15000  1.0 3.0
   60    71    75    78   0.34400  1.0 1.0
   60    71    75    78   0.09450 -1.0 2.0
   60    71    75    78   0.11100  1.0 3.0
   61    60    71    72   0.33100  1.0 3.0
   61    60    71    73   0.33100  1.0 3.0
   61    60    71    75   0.00000  1.0 1.0
   71    75    78    79   0.07850  1.0 1.0
   71    75    78    79  -0.03950 -1.0 2.0
   71    75    78    79   0.67350  1.0 3.0
   71    75    78    86   0.02550  1.0 1.0
   71    75    78    86  -0.02600 -1.0 2.0
   71    75    78    86   1.20400  1.0 3.0
   71    75    78    81   0.56750  1.0 1.0
   71    75    78    81  -0.07550 -1.0 2.0
   71    75    78    81   0.20000  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.15000  1.0 3.0
   75    78    79    80   0.15000  1.0 3.0
   75    78    79    84   0.56750  1.0 1.0
   75    78    79    84  -0.07550 -1.0 2.0
   75    78    79    84   0.20000  1.0 3.0
   75    78   -79    86   0.02550  1.0 1.0
   75    78   -79    86  -0.02600 -1.0 2.0
   75    78   -79    86   1.20400  1.0 3.0
   75    78   -86    79   0.06250  1.0 1.0
   75    78   -86    79  -0.01100 -1.0 2.0
   75    78   -86    79   0.28050  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    87   0.86500  1.0 1.0
   75    78    81    87  -0.17500 -1.0 2.0
   75    78    81    87   0.20800  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    86   0.23400  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    86   0.23400  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    79    84    85   0.15000  1.0 3.0
   78    79    84    56   0.07850  1.0 1.0
   78    79    84    56  -0.03950 -1.0 2.0
   78    79    84    56   0.67350  1.0 3.0
   78    79    84    74  -0.26800  1.0 1.0
   78    79    84    74   0.69150 -1.0 2.0
   78    79    84    74  -0.48750  1.0 3.0
   78    81    87    88  -0.11600  1.0 1.0
   78    81    87    88  -0.09450 -1.0 2.0
   78    81    87    88   0.21250  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    87   0.86500  1.0 1.0
   79    78    81    87  -0.17500 -1.0 2.0
   79    78    81    87   0.20800  1.0 3.0
   79    84    56    51   0.47050  1.0 1.0
   79    84    56    51   0.03900 -1.0 2.0
   79    84    56    51   0.20100  1.0 3.0
   79    84    56    57   0.15000  1.0 3.0
   79    84    56    59   0.34400  1.0 1.0
   79    84    56    59   0.09450 -1.0 2.0
   79    84    56    59   0.11100  1.0 3.0
   79    84    74    62  -0.25900  1.0 1.0
   79    84    74    62  -0.47000 -1.0 2.0
   79    84    74    62   0.11750  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    56   0.15000  1.0 3.0
   80    79    84    74   0.23400  1.0 3.0
   80    79   -86    78   0.36800  1.0 3.0
   84    79   -86    78   0.06250  1.0 1.0
   84    79   -86    78  -0.01100 -1.0 2.0
   84    79   -86    78   0.28050  1.0 3.0
   84    56   -59    62   0.09700  1.0 1.0
   84    56   -59    62   0.15600 -1.0 2.0
   84    56   -59    62  -0.50800  1.0 3.0
   84    56    59    64   0.09850  1.0 1.0
   84    56    59    64   0.15250 -1.0 2.0
   84    56    59    64  -0.50650  1.0 3.0
   85    84    56    51   0.15000  1.0 3.0
   85    84    56    57   0.15000  1.0 3.0
   85    84    56    59   0.15000  1.0 3.0
   85    84    74    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    84   -74    62  -0.25900  1.0 1.0
   56    84   -74    62  -0.47000 -1.0 2.0
   56    84   -74    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    74  -0.15000  1.0 1.0
   56    59   -62    74   0.89550 -1.0 2.0
   56    59   -62    74  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -74    84   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    74    84   3.00000 -1.0 2.0
   74    84    56    51   0.62750  1.0 1.0
   74    84    56    51  -0.30950 -1.0 2.0
   74    84    56    51   0.27300  1.0 3.0
   74    84    56    57   0.23400  1.0 3.0
   74    84   -56    59   0.61850  1.0 1.0
   74    84   -56    59  -0.22750 -1.0 2.0
   74    84   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    74  -0.56150  1.0 1.0
   64    59    62    74   2.19150 -1.0 2.0
   86    78   -79    80   0.23400  1.0 3.0
   86    78   -79    84   0.02550  1.0 1.0
   86    78   -79    84  -0.02600 -1.0 2.0
   86    78   -79    84   1.20400  1.0 3.0
   86    78    81    82   0.23400  1.0 3.0
   86    78    81    83   0.23400  1.0 3.0
   86    78    81    87   3.69350  1.0 1.0
   86    78    81    87  -1.82950 -1.0 2.0
   86    79    84    85   0.23400  1.0 3.0
   86    79    84    56   0.02550  1.0 1.0
   86    79    84    56  -0.02600 -1.0 2.0
   86    79    84    56   1.20400  1.0 3.0
   86    79    84    74   1.11900  1.0 1.0
   86    79    84    74  -1.16350 -1.0 2.0
   86    79    84    74  -0.34150  1.0 3.0
   81    78    79    80   0.15000  1.0 3.0
   81    78    79    84   0.56750  1.0 1.0
   81    78    79    84  -0.07550 -1.0 2.0
   81    78    79    84   0.20000  1.0 3.0
   81    78   -79    86   0.02550  1.0 1.0
   81    78   -79    86  -0.02600 -1.0 2.0
   81    78   -79    86   1.20400  1.0 3.0
   81    78   -86    79   0.06250  1.0 1.0
   81    78   -86    79  -0.01100 -1.0 2.0
   81    78   -86    79   0.28050  1.0 3.0
   82    81    87    88   0.19450  1.0 3.0
   83    81    87    88   0.19450  1.0 3.0
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    50   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    48    49   0.19450  1.0 3.0
   41    39    48    49   0.19450  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    44    38    42  15.00000 -1.0 2.0
   43    50    42    38  15.00000 -1.0 2.0
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    74    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
