* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    158    236     462
    1     0 S   NP   _N1_     1    28.97174    96.71699   -23.12267
    2     1 S   H    _HN1     2     1.02944    70.01686    41.29611
    3     1 S   H    _H1_     3     1.02843    44.76135  -174.20029
    4     1 S   H    _H2_     4     1.02798    96.75020   -65.69425
    5     1 S   CT   _CA1     5     1.50114   148.34556   138.32593
    6     5 S   HC   _HA1     6     1.09605   105.15237    93.28756
    7     5 S   CO3  _C1_     7     1.53767   112.04276   -26.45554
    8     7 S   O2Z  _O11     8     1.26332   115.13644   -55.98085
    9     7 S   O2Z  _O12     9     1.26257   114.85722   122.82494
   10     5 S   CT   _CB1    10     1.53112   107.33988  -149.39506
   11    10 S   HC   HB11    11     1.09827   109.09806   -53.33197
   12    10 S   HC   HB12    12     1.09802   110.68169    63.18728
   13    10 S   CT   _CG1    13     1.52940   112.50572  -174.42666
   14    13 S   HC   HG11    14     1.09605   110.36076   -67.77410
   15    13 S   HC   HG12    15     1.09682   109.90229    51.30340
   16    13 S   C    _CD1    16     1.51892   112.42146   171.61391
   17    16 S   O    _OE1    17     1.22710   123.36324     2.95453
   18    16 S   N    _N2_    18     1.38521   111.48436  -176.74713
   19    18 S   H    _HN2    19     1.01550   118.85674     0.33220
   20    18 S   CT1  _CA2    20     1.46298   123.86946   177.20404
   21    20 S   HC   _HA2    21     1.09729   109.43866    -5.56243
   22    20 S   C    _C2_    22     1.53531   108.38650  -120.90619
   23    22 S   O    _O2_    23     1.23041   122.40160  -150.49434
   24    20 S   CT   _CB2    32     1.53270   111.04921   116.89384
   25    24 S   HC   HB21    33     1.09359   109.32268    50.77873
   26    24 S   HC   HB22    34     1.09474   111.09966   169.69962
   27    22 S   N    _N3_    24     1.38379   113.58946    37.18053
   28    27 S   H    _HN3    25     1.01615   119.45319    -3.55121
   29    24 S   S    _SG2    35     1.82751   111.14267   -71.11205
   30    27 S   CT   _CA3    26     1.45261   123.19546   177.15758
   31    30 S   HC   HA31    27     1.09544   107.55297   -63.98172
   32    30 S   HC   HA32    28     1.09555   107.93540    52.44373
   33    29 S   CT   _C23    36     1.84105    99.98545   157.51967
   34    33 S   HC   _H3_    37     1.09518   106.35564    40.87794
   35    30 S   CO3  _C3_    29     1.52933   114.09842   174.46101
   36    35 S   O2Z  _O31    30     1.26369   116.07578     1.13281
   37    35 S   O2Z  _O32    31     1.26428   114.40601  -178.85312
   38    33 S   CM   _C11    38     1.53518   110.54500   -80.53261
   39    33 S   CT   _C21    84     1.53001   108.83000   154.81488
   40    39 S   HC   _H46    85     1.09560   112.71081    57.62644
   41    39 S   HC   _H47    86     1.09599   110.54127   178.32707
   42    39 S   HC   _H48    87     1.09634   110.83551   -63.02786
   43    38 S   CMA  _C12    39     1.36931   122.41285   114.13117
   44    43 S   OM   _O21    40     1.26873   125.20651     0.72064
   45    38 S   CT   _C22    79     1.52261   115.85493   -66.31115
   46    45 S   HC   _H49    80     1.09371   111.74348    34.19388
   47    45 S   HC   _H50    81     1.09381   112.92025   153.52315
   48    43 S   OS   _O26    41     1.41460   110.76789  -179.18579
   49    45 S   OH   _O25    82     1.42265   109.42088   -85.72434
   50    49 S   HO   _H53    83     0.97195   106.88493  -177.76699
   51    48 S   CT   _C18    42     1.43238   120.18565  -174.07388
   52    51 S   HC   _H39    43     1.09701   110.14670    29.06091
   53    51 S   CT   _C14    44     1.56077   111.83528   -86.82290
   54    53 S   HC   _H34    45     1.09821   107.79020  -175.94015
   55    53 S   HC   _H35    46     1.09808   108.46474    71.07558
   56    51 S   CT   _C17    60     1.55853   108.15032   144.39321
   57    56 S   HC   _H38    61     1.09968   108.30481   166.81815
   58    53 S   CM   _C6_    47     1.51707   118.13277   -50.38480
   59    56 S   CM   _C8_    62     1.50576   115.46463   -74.87524
   60    58 S   CM   _C4_    48     1.34965   120.31531  -108.09646
   61    60 S   HC   _H28    49     1.08942   118.51711    -3.90891
   62    59 S   CO4  _C9_    63     1.47940   108.60393   153.22342
   63    62 S   O    _O22    64     1.21759   127.20367   166.81298
   64    59 S   CM   _C10    66     1.33680   131.32277   -25.01690
   65    64 S   HC   _H30    67     1.08381   121.90881    -1.06128
   66    64 S   HC   _H31    68     1.08559   121.56490   178.83837
   67    58 S   CT   _C19    75     1.50433   115.89088    71.37416
   68    67 S   HC   _H40    76     1.09143   111.25526   -80.62942
   69    67 S   HC   _H41    77     1.09311   112.69647   157.62473
   70    67 S   HC   _H42    78     1.09525   110.19458    39.65373
   71    60 S   CT   _C13    50     1.51547   126.10023   163.18622
   72    71 S   HC   _H32    51     1.09327   111.37942    22.69981
   73    71 S   HC   _H33    52     1.09629   108.24895   139.88673
   74    86 S   OS   _O23    65     1.43898   107.52301   116.86721
   75    71 S   CT   _C16    53     1.55622   111.19013   -98.78323
   76    75 S   HC   _H37    54     1.09622   109.56104   166.00650
   77    75 S   CM   _C7_    55     1.52841   111.29895    44.39106
   78    75 S   OH   _O24    73     1.42955   109.37573   -78.17231
   79    78 S   HO   _H52    74     0.97217   107.34405   -60.61016
   80    77 S   CM   _C5_    56     1.35039   119.89723   -83.49224
   81    80 S   HC   _H29    57     1.08979   117.89957   -10.35091
   82    77 S   CT   _C20    69     1.50291   114.95721    89.20120
   83    82 S   HC   _H43    70     1.09270   110.78816   -62.16818
   84    82 S   HC   _H44    71     1.09260   113.16234   176.15967
   85    82 S   HC   _H45    72     1.09540   109.77783    57.29742
   86    80 S   CT   _C15    58     1.49778   127.79039   158.97856
   87    86 S   HC   _H36    59     1.09409   112.07978    -0.52526
  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   5   3   2  10
   1   1  16   8  14   5   4  14   7  10   9  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   5  11   5  10   3   1   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    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    56    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    58    86    56    57    59  
   50  
    0  
   52    53    54    55    58    60    80    86    87    56    57    59    62    74    64    67  
   53    54    55    58    86    56    57    59  
   54    55    58    60    61    71    86    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    74    64    65    66    58    77    80    81    86    87  
   59    62    74    64    80    86    87  
   60    61    71    72    73    75    67    68    69    70  
   62    63    74    64    65    66    80    86    87  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    80    86    87  
   74    64    86  
   65    66    74    86  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    80    82    78    79  
   73    75    76    77    78  
   75    76    77    78  
   77    80    81    86    87  
   76    77    80    81    86    82    83    84    85    78    79  
   77    80    82    78    79  
   80    81    86    87    82    83    84    85    78    79  
   79    80    82  
    0  
   81    86    87    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   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   3.5000   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   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   87   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    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   317.000  1.510
   75    78   320.000  1.410
   77    80   549.000  1.340
   77    82   317.000  1.510
   80    81   340.000  1.080
   80    86   317.000  1.510
   86    87   340.000  1.090
   86    56   268.000  1.529
   86    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
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   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    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    50.00000  109.50000
   48    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    86    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    70.00000  112.02700
   71    75    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    77    80    70.00000  124.00000
   75    77    82    65.00000  117.92700
   75    78    79    55.00000  108.50000
   77    75    76    35.00000  109.50000
   77    80    81    35.00000  120.00000
   77    80    86    70.00000  124.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    86    87    35.00000  109.50000
   80    86    56    70.00000  112.02700
   80    86    74    85.00000  110.90400
   86    80    81    35.00000  117.00000
   86    56    57    37.50000  110.70000
   86    56    59    70.00000  112.02700
   86    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    86    87    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    86    87    35.00000  109.50000
   74    86    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
   82    77    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    90.00000  110.39200
   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
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   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   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  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    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  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   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53  -0.46850  1.0 1.0
   43    48    51    53   0.09300 -1.0 2.0
   43    48    51    53  -0.12850  1.0 3.0
   43    48    51    56  -0.46850  1.0 1.0
   43    48    51    56   0.09300 -1.0 2.0
   43    48    51    56  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    53    54   0.23400  1.0 3.0
   48    51    53    55   0.23400  1.0 3.0
   48    51    53    58   0.61850  1.0 1.0
   48    51    53    58  -0.22750 -1.0 2.0
   48    51    53    58   0.15300  1.0 3.0
   48    51    56    86   0.62750  1.0 1.0
   48    51    56    86  -0.30950 -1.0 2.0
   48    51    56    86   0.27300  1.0 3.0
   48    51    56    57   0.23400  1.0 3.0
   48    51    56    59   0.61850  1.0 1.0
   48    51    56    59  -0.22750 -1.0 2.0
   48    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    86   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    86   0.56750  1.0 1.0
   53    51    56    86  -0.07550 -1.0 2.0
   53    51    56    86   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   0.31000  1.0 1.0
   60    71    75    77   0.14700 -1.0 2.0
   60    71    75    77   0.07550  1.0 3.0
   60    71    75    78   1.05650  1.0 1.0
   60    71    75    78   0.15600 -1.0 2.0
   60    71    75    78   0.53150  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    77    80   0.09850  1.0 1.0
   71    75    77    80   0.15250 -1.0 2.0
   71    75    77    80  -0.50650  1.0 3.0
   71    75    77    82   0.46850  1.0 1.0
   71    75    77    82   0.08550 -1.0 2.0
   71    75    77    82   0.09800  1.0 3.0
   71    75    78    79  -0.11600  1.0 1.0
   71    75    78    79  -0.09450 -1.0 2.0
   71    75    78    79   0.21250  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   0.23400  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   0.23400  1.0 3.0
   75    77    80    81   7.00000 -1.0 2.0
   75    77    80    86   7.00000 -1.0 2.0
   75    77    82    83   0.34800  1.0 3.0
   75    77    82    84   0.34800  1.0 3.0
   75    77    82    85   0.34800  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   76    75    77    82   0.34800  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79  -0.07800  1.0 1.0
   77    75    78    79  -0.21500 -1.0 2.0
   77    75    78    79  -0.03150  1.0 3.0
   77    80    86    87   0.00000  1.0 1.0
   77    80    86    56   0.09850  1.0 1.0
   77    80    86    56   0.15250 -1.0 2.0
   77    80    86    56  -0.50650  1.0 3.0
   77    80    86    74   0.39000  1.0 1.0
   77    80    86    74  -0.05800 -1.0 2.0
   77    80    86    74  -0.55150  1.0 3.0
   80    77    82    83   0.00000  1.0 1.0
   80    77    82    84   0.00000  1.0 1.0
   80    77    82    85   0.00000  1.0 1.0
   80    86    56    51   0.34400  1.0 1.0
   80    86    56    51   0.09450 -1.0 2.0
   80    86    56    51   0.11100  1.0 3.0
   80    86    56    57   0.15000  1.0 3.0
   80    86    56    59   0.31000  1.0 1.0
   80    86    56    59   0.14700 -1.0 2.0
   80    86    56    59   0.07550  1.0 3.0
   80    86    74    62  -0.82050  1.0 1.0
   80    86    74    62   0.00600 -1.0 2.0
   80    86    74    62   0.04400  1.0 3.0
   81    80    86    87   0.33100  1.0 3.0
   81    80    86    56   0.00000  1.0 1.0
   81    80    86    74   0.00000  1.0 1.0
   86    56   -59    62   0.09700  1.0 1.0
   86    56   -59    62   0.15600 -1.0 2.0
   86    56   -59    62  -0.50800  1.0 3.0
   86    56    59    64   0.09850  1.0 1.0
   86    56    59    64   0.15250 -1.0 2.0
   86    56    59    64  -0.50650  1.0 3.0
   87    86    56    51   0.15000  1.0 3.0
   87    86    56    57   0.15000  1.0 3.0
   87    86    56    59   0.15000  1.0 3.0
   87    86    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    86   -74    62  -0.25900  1.0 1.0
   56    86   -74    62  -0.47000 -1.0 2.0
   56    86   -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    86   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    86   3.00000 -1.0 2.0
   74    86    56    51   0.62750  1.0 1.0
   74    86    56    51  -0.30950 -1.0 2.0
   74    86    56    51   0.27300  1.0 3.0
   74    86    56    57   0.23400  1.0 3.0
   74    86   -56    59   0.61850  1.0 1.0
   74    86   -56    59  -0.22750 -1.0 2.0
   74    86   -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
   82    77    80    81   7.00000 -1.0 2.0
   82    77    80    86   7.00000 -1.0 2.0
   78    75    77    80   0.67800  1.0 1.0
   78    75    77    80   0.47050 -1.0 2.0
   78    75    77    80  -0.62500  1.0 3.0
   78    75    77    82   0.18000  1.0 1.0
   78    75    77    82   0.16450 -1.0 2.0
   78    75    77    82   0.04450  1.0 3.0
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   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
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   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
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   1.10000 -1.0 2.0
   75    82    77    80   1.10000 -1.0 2.0
   86    81    80    77   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
