* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    239     437
    1     0 S   NP   _N1_     1    33.14470   102.10285   -21.58907
    2     1 S   H    _HN1     2     1.02734    69.05368  -114.45719
    3     1 S   H    _H1_     3     1.02863    88.31382   135.99581
    4     1 S   H    _H2_     4     1.03416   163.70155   -33.35214
    5     1 S   CT   _CA1     5     1.50591    57.48334    20.81167
    6     5 S   HC   _HA1     6     1.09578   104.32767   135.44712
    7     5 S   CO3  _C1_     7     1.54454   111.66835    19.49228
    8     7 S   O2Z  _O11     8     1.26095   116.66763  -135.35884
    9     7 S   O2Z  _O12     9     1.26639   114.06429    43.94749
   10     5 S   CT   _CB1    10     1.53160   106.83821  -108.12847
   11    10 S   HC   HB11    11     1.09639   109.61461   -37.78930
   12    10 S   HC   HB12    12     1.09803   109.89836    77.64865
   13    10 S   CT   _CG1    13     1.53393   113.02458  -160.68801
   14    13 S   HC   HG11    14     1.09567   110.69077  -103.78121
   15    13 S   HC   HG12    15     1.09595   111.94911    15.54202
   16    13 S   C    _CD1    16     1.51476   109.86385   136.48750
   17    16 S   O    _OE1    17     1.22829   122.02412    95.73802
   18    16 S   N    _N2_    18     1.38352   112.54071   -81.34321
   19    18 S   H    _HN2    19     1.02028   119.13426    -6.49401
   20    18 S   CT1  _CA2    20     1.45903   123.14477   174.29676
   21    20 S   HC   _HA2    21     1.09717   108.55150    33.09786
   22    20 S   C    _C2_    22     1.53207   109.49929   -83.43565
   23    22 S   O    _O2_    23     1.23155   120.97464   154.05391
   24    20 S   CT   _CB2    32     1.53253   111.57116   156.38882
   25    24 S   HC   HB21    33     1.09340   109.79296    55.26177
   26    24 S   HC   HB22    34     1.09552   109.87439   173.56300
   27    22 S   N    _N3_    24     1.38272   114.62752   -33.21284
   28    27 S   H    _HN3    25     1.01609   119.03938     1.12553
   29    24 S   S    _SG2    35     1.82742   110.63311   -67.42611
   30    27 S   CT   _CA3    26     1.45352   123.12683  -177.55303
   31    30 S   HC   HA31    27     1.09564   108.39193   -38.87489
   32    30 S   HC   HA32    28     1.09529   107.19382    77.56409
   33    29 S   CT   _C15    36     1.88610   103.17876   155.27780
   34    30 S   CO3  _C3_    29     1.52919   114.28534  -161.75774
   35    34 S   O2Z  _O31    30     1.26472   116.09470   -17.45476
   36    34 S   O2Z  _O32    31     1.26370   114.65072   162.91783
   37    33 S   CM   _C13    37     1.53594   111.93281   -72.10371
   38    33 S   CT   _C17    72     1.56566   106.54488   165.89568
   39    38 S   HC   _H5_    73     1.09463   109.57294  -175.94469
   40    37 S   N4   _N8_    38     1.36371   116.44829   159.35471
   41    37 S   CMA  _C14    69     1.52877   123.72672   -15.66649
   42    41 S   OM   _O36    70     1.26417   121.01043   102.95514
   43    41 S   OM   _O37    71     1.26220   120.61483   -78.35289
   44    38 S   CT   _C18    74     1.52745   118.42297    62.08562
   45    44 S   HC   _H15    75     1.09355   112.72298    80.81214
   46    44 S   HC   _H16    76     1.09398   112.69022   -42.25507
   47    40 S   C4   _C12    39     1.35308   137.36062  -173.64992
   48    47 S   O    _O35    40     1.20846   134.75265    -3.74878
   49    40 S   C4T  _C11    43     1.45047   125.62079    15.57833
   50    49 S   HC   _H4_    44     1.09709   112.08526    77.06229
   51    44 S   CT   _C19    77     1.50991   101.55016  -158.54806
   52    51 S   HC   _H17    78     1.09308   113.71356   159.87921
   53    51 S   HC   _H18    79     1.09650   109.77592   -78.73890
   54    47 S   C4T  _C10    41     1.56919    89.31645   172.44649
   55    54 S   HC   _H3_    42     1.09444   114.37198   127.96183
   56    49 S   S    _S2_    45     1.80882   114.56036   -53.56457
   57    51 S   CT   _C20    80     1.51251   102.02622    37.87374
   58    57 S   HC   _H19    81     1.09516   111.19742    86.15681
   59    57 S   HC   _H20    82     1.09352   112.58425  -151.74573
   60    33 S   CT   _C16    46     1.55987   106.83180    47.35469
   61    60 S   HC   _H13    47     1.09398   110.94942   -61.52215
   62    60 S   HC   _H14    48     1.09606   111.03698    57.01951
   63    54 S   N    _N7_    49     1.48038   111.78095  -102.76444
   64    63 S   H    _H12    50     1.01765   118.65288    92.48882
   65    38 S   OS   _O38    83     1.44758   111.51780   -61.16286
   66    63 S   C    _C9_    51     1.37838   122.28111   -75.86575
   67    66 S   O    _O34    52     1.22031   128.44974   -13.83871
   68    66 S   CD   _C5_    53     1.50822   112.38394   161.92977
   69    68 S   C5B  _C6_    54     1.45372   118.43787   -73.60971
   70    68 S   NI   _N4_    63     1.29693   122.42212   106.10069
   71    69 S   C5A  _C7_    55     1.38072   126.53049  -175.56929
   72    71 S   HA   _H9_    56     1.08093   128.93645     0.42978
   73    70 S   OS   _O33    64     1.40180   111.21357    -0.55355
   74    71 S   SA   _S1_    57     1.71518   110.00091  -179.78511
   75    73 S   CT   _C4_    65     1.41973   108.17323   179.43283
   76    75 S   HC   _H6_    66     1.09316   108.47304  -180.00000
   77    75 S   HC   _H7_    67     1.09443   110.33477    60.98318
   78    75 S   HC   _H8_    68     1.09443   110.33678   -60.97497
   79    74 S   CRA  _C8_    58     1.72248    90.00445     0.49258
   80    69 S   N5B  _N5_    59     1.38651   119.15132     5.04046
   81    79 S   NE   _N6_    60     1.34470   121.05568   179.29252
   82    81 S   H    _H10    61     1.01899   121.28367  -176.18069
   83    81 S   H    _H11    62     1.01598   122.56752     1.42834
  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  12   5   4   3
  19   2   1   1  17  17   7  12   5   1   1  10   6   5   9   4
  10   5   6   5   4   8   4   4   3   2   1   3   1   1   6   3
   1   7   3   9   8   7   5   3   4   5   3   2   1   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    60    61    62    41    38    39    44    65  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    47    49    56    60    61    62    41    42    43    38    39    44    45    46    51    57    65  
   35    36  
   36  
    0  
   40    47    48    54    49    50    56    60    61    62    41    42    43    38    39    44    65  
   39    44    45    46    51    52    53    57    58    59    65    40    41    56    60    61    62  
   44    45    46    51    57    65    60  
   47    48    54    55    49    50    56    60    63    41    42    43  
   42    43    47    49    60  
   43  
    0  
   45    46    51    52    53    57    58    59    65    60  
   46    51    52    53    57    65  
   51    52    53    57    65  
   48    54    55    49    50    56    63    64    66  
   54    55    49    63  
   50    56    60    61    62    63    64    66    54    55  
   56    60    63    54    55  
   52    53    57    58    59    65  
   53    57    58    59    65  
   57    58    59    65  
   55    56    60    63    64    66    67    68  
   56    63    64    66  
   60    61    62    63  
   58    59    65  
   59    65  
   65  
   61    62    65  
   62  
    0  
   64    66    67    68    69    70  
   66    67    68  
    0  
   67    68    69    71    80    70    73  
   68    69    70  
   69    71    72    74    79    80    70    73    75  
   71    72    74    79    80    81    70    73  
   73    75    76    77    78    71    80  
   72    74    79    80    81  
   74    79    80  
   75    76    77    78  
   79    80    81    82    83  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   75   3.5000   0.0660   0.042500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   81   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   82   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.360000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    60   268.000  1.529
   33    38   268.000  1.529
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    47   440.000  1.369
   40    49   305.000  1.456
   47    48   930.000  1.212
   47    54   250.000  1.540
   54    55   340.000  1.090
   54    49   268.000  1.529
   54    63   337.000  1.449
   49    50   340.000  1.090
   49    56   200.000  1.824
   56    60   222.000  1.810
   60    61   340.000  1.090
   60    62   340.000  1.090
   63    64   434.000  1.010
   63    66   490.000  1.335
   66    67   570.000  1.229
   66    68   270.000  1.486
   68    69   305.000  1.466
   68    70   500.000  1.261
   69    71   520.000  1.370
   69    80   410.000  1.394
   71    72   367.000  1.080
   71    74   265.000  1.745
   74    79   250.000  1.765
   79    80   488.000  1.335
   79    81   420.000  1.385
   81    82   434.000  1.010
   81    83   434.000  1.010
   70    73   320.000  1.394
   73    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   340.000  1.090
   38    44   268.000  1.529
   38    65   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   320.000  1.410
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    60    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    60    56    75.00000  111.63000
   33    60    61    37.50000  110.70000
   33    60    62    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    44    58.35000  112.70000
   33    38    65    50.00000  109.50000
   37    40    47    50.00000  132.10000
   37    40    49    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    47    48    75.00000  131.60000
   40    47    54    95.00000   92.72400
   40    49    54   105.00000   87.49700
   40    49    50    50.00000  112.01000
   40    49    56    80.00000  108.62000
   47    54    55    40.00000  113.37500
   47    54    49   100.00000   86.36000
   47    54    63    75.00000  110.24000
   54    47    48    60.00000  136.58000
   54    49    50    37.50000  110.70000
   54    49    56    65.00000  119.05700
   54    63    64    38.00000  118.40000
   54    63    66    50.00000  121.90000
   49    40    47   100.00000   93.00000
   49    54    55    37.50000  110.70000
   49    56    60    85.00000   99.86700
   56    49    50    45.00000  109.41400
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   60    33    37    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    54    55    50.00000  112.01000
   63    54    49    80.00000  110.05700
   63    66    67    80.00000  122.90000
   63    66    68    75.00000  109.57000
   66    63    64    35.00000  119.80000
   66    68    69    75.00000  114.44000
   66    68    70    65.00000  123.79500
   68    66    67    80.00000  120.45000
   68    69    71    60.00000  121.09900
   68    69    80    60.00000  126.00000
   68    70    73   100.00000  109.52600
   69    71    72    35.00000  130.70000
   69    71    74    80.00000  111.29200
   69    80    79    70.00000  110.00000
   71    74    79   120.00000   89.04400
   74    71    72    40.00000  122.38200
   74    79    80    80.00000  114.57700
   74    79    81    70.00000  122.29500
   79    81    82    35.00000  113.50000
   79    81    83    35.00000  113.50000
   80    69    71    70.00000  111.00000
   81    79    80    75.00000  125.31200
   83    81    82    35.00000  109.00000
   70    68    69    65.00000  124.33800
   70    73    75   110.00000  106.71400
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    60    58.35000  112.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    51    58.35000  112.70000
   38    65    57    60.00000  109.50000
   44    38    39    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    57    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    65    50.00000  109.50000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    38    39    35.00000  109.50000
   65    38    44    50.00000  109.50000
   65    57    58    35.00000  109.50000
   65    57    59    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    60    56   0.56750  1.0 1.0
   29    33    60    56  -0.07550 -1.0 2.0
   29    33    60    56   0.20000  1.0 3.0
   29    33    60    61   0.15000  1.0 3.0
   29    33    60    62   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    38    65   0.56750  1.0 1.0
   29    33    38    65  -0.07550 -1.0 2.0
   29    33    38    65   0.20000  1.0 3.0
   33    37    40    47   0.00000  1.0 1.0
   33    37    40    49   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    51   0.56750  1.0 1.0
   33    38    44    51  -0.07550 -1.0 2.0
   33    38    44    51   0.20000  1.0 3.0
   33    38    65    57   0.06250  1.0 1.0
   33    38    65    57  -0.01100 -1.0 2.0
   33    38    65    57   0.28050  1.0 3.0
   37    33    60    56   0.56750  1.0 1.0
   37    33    60    56  -0.07550 -1.0 2.0
   37    33    60    56   0.20000  1.0 3.0
   37    33    60    61   0.15000  1.0 3.0
   37    33    60    62   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   0.34400  1.0 1.0
   37    33    38    44   0.09450 -1.0 2.0
   37    33    38    44   0.11100  1.0 3.0
   37    33    38    65   0.61850  1.0 1.0
   37    33    38    65  -0.22750 -1.0 2.0
   37    33    38    65   0.15300  1.0 3.0
   37    40    47    48   3.00000 -1.0 2.0
   37    40    47    54   3.00000 -1.0 2.0
   37    40   -49    54   0.00000  1.0 1.0
   37    40    49    50   0.00000  1.0 1.0
   37    40   -49    56   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    47    54    55   0.00000  1.0 1.0
   40    47   -54    49   3.00000 -1.0 2.0
   40    47    54    63   0.00000  1.0 1.0
   40    49    56    60   0.01700  1.0 1.0
   40    49    56    60  -0.23550 -1.0 2.0
   40    49    56    60   0.21350  1.0 3.0
   47    40   -49    54   0.00000  1.0 1.0
   47    40    49    50   0.00000  1.0 1.0
   47    40    49    56   0.00000  1.0 1.0
   47    54   -49    40   3.00000 -1.0 2.0
   47    54   -49    50   0.15000  1.0 3.0
   47    54   -49    56   0.00000  1.0 1.0
   47    54    63    64   0.00000  1.0 1.0
   47    54    63    66  -0.42300  1.0 1.0
   47    54    63    66  -0.07000 -1.0 2.0
   47    54    63    66   0.04150  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    49  -0.11250  1.0 1.0
   48    47    54    49   0.11400 -1.0 2.0
   48    47    54    49  -0.28950  1.0 3.0
   48    47    54    63   0.30150 -1.0 2.0
   54    49    56    60   0.25150  1.0 1.0
   54    49    56    60  -1.17200 -1.0 2.0
   54    49    56    60   0.53050  1.0 3.0
   54    63    66    67   3.04450 -1.0 2.0
   54    63    66    68   1.49850  1.0 1.0
   54    63    66    68   1.53950 -1.0 2.0
   55    54   -49    40   0.15000  1.0 3.0
   55    54    49    50   0.15000  1.0 3.0
   55    54    49    56   0.00000  1.0 1.0
   55    54    63    64   0.00000  1.0 1.0
   55    54    63    66   0.00000  1.0 1.0
   49    40   -47    48   3.00000 -1.0 2.0
   49    40   -47    54   3.00000 -1.0 2.0
   49    54    63    64   0.00000  1.0 1.0
   49    54    63    66  -0.43950  1.0 1.0
   49    54    63    66  -0.08100 -1.0 2.0
   49    54    63    66   0.03350  1.0 3.0
   49    56   -60    33  -0.25000 -1.0 2.0
   49    56   -60    33  -0.01800  1.0 3.0
   49    56    60    61   0.32350  1.0 3.0
   49    56    60    62   0.32350  1.0 3.0
   50    49    56    60   0.00000  1.0 1.0
   60    33   -37    40  -0.93550  1.0 1.0
   60    33   -37    40   0.38900 -1.0 2.0
   60    33   -37    40   0.16950  1.0 3.0
   60    33    37    41   0.09850  1.0 1.0
   60    33    37    41   0.15250 -1.0 2.0
   60    33    37    41  -0.50650  1.0 3.0
   60    33    38    39   0.15000  1.0 3.0
   60    33    38    44   0.56750  1.0 1.0
   60    33    38    44  -0.07550 -1.0 2.0
   60    33    38    44   0.20000  1.0 3.0
   60    33    38    65   0.62750  1.0 1.0
   60    33    38    65  -0.30950 -1.0 2.0
   60    33    38    65   0.27300  1.0 3.0
   63    54   -49    40   2.20050  1.0 1.0
   63    54   -49    40   0.63450 -1.0 2.0
   63    54   -49    40  -0.91300  1.0 3.0
   63    54    49    50   0.15000  1.0 3.0
   63    54    49    56   0.00000  1.0 1.0
   63    66    68    69   1.50000 -1.0 2.0
   63    66    68    70   1.50000 -1.0 2.0
   64    63    66    67   2.45000 -1.0 2.0
   64    63    66    68   2.56700 -1.0 2.0
   66    68    69    71   0.30050 -1.0 2.0
   66    68    69    71   0.16600  1.0 3.0
   66    68    69    80   0.30050 -1.0 2.0
   66    68    69    80   0.16600  1.0 3.0
   66    68    70    73   6.00000 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    70   1.00000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    74   3.62500 -1.0 2.0
   68    69    80    79   3.62500 -1.0 2.0
   68    70    73    75   1.50000 -1.0 2.0
   69    68    70    73   6.00000 -1.0 2.0
   69    71   -74    79   3.62500 -1.0 2.0
   71    69   -80    79   2.40000 -1.0 2.0
   71    74   -79    80   3.62500 -1.0 2.0
   71    74    79    81   3.62500 -1.0 2.0
   72    71    74    79   3.62500 -1.0 2.0
   74    79   -80    69   3.62500 -1.0 2.0
   74    79    81    82   0.47600 -1.0 2.0
   74    79    81    83   0.47600 -1.0 2.0
   80    69    71    72   3.62500 -1.0 2.0
   80    69   -71    74   3.62500 -1.0 2.0
   80    79    81    82   1.75000 -1.0 2.0
   80    79    81    83   1.75000 -1.0 2.0
   81    79    80    69   3.62500 -1.0 2.0
   70    68    69    71   1.02250 -1.0 2.0
   70    68    69    80   1.02250 -1.0 2.0
   70    73    75    76   0.37500  1.0 3.0
   70    73    75    77   0.37500  1.0 3.0
   70    73    75    78   0.37500  1.0 3.0
   41    37    40    47   0.00000  1.0 1.0
   41    37    40    49   0.00000  1.0 1.0
   38    33    37    40  -0.93550  1.0 1.0
   38    33    37    40   0.38900 -1.0 2.0
   38    33    37    40   0.16950  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    60    56   0.44750  1.0 1.0
   38    33    60    56  -0.17800 -1.0 2.0
   38    33    60    56   0.20200  1.0 3.0
   38    33    60    61   0.15000  1.0 3.0
   38    33    60    62   0.15000  1.0 3.0
   38    44    51    52   0.15000  1.0 3.0
   38    44    51    53   0.15000  1.0 3.0
   38    44   -51    57   0.56750  1.0 1.0
   38    44   -51    57  -0.07550 -1.0 2.0
   38    44   -51    57   0.20000  1.0 3.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    51   0.15000  1.0 3.0
   39    38    65    57   0.37050  1.0 3.0
   44    38   -65    57   0.06250  1.0 1.0
   44    38   -65    57  -0.01100 -1.0 2.0
   44    38   -65    57   0.28050  1.0 3.0
   44    51    57    58   0.15000  1.0 3.0
   44    51    57    59   0.15000  1.0 3.0
   44    51   -57    65   0.62750  1.0 1.0
   44    51   -57    65  -0.30950 -1.0 2.0
   44    51   -57    65   0.27300  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    57   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    57   0.15000  1.0 3.0
   51    57   -65    38   0.06250  1.0 1.0
   51    57   -65    38  -0.01100 -1.0 2.0
   51    57   -65    38   0.28050  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    65   0.23400  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    65   0.23400  1.0 3.0
   58    57    65    38   0.37050  1.0 3.0
   59    57    65    38   0.37050  1.0 3.0
   65    38    44    45   0.23400  1.0 3.0
   65    38    44    46   0.23400  1.0 3.0
   65    38   -44    51   0.62750  1.0 1.0
   65    38   -44    51  -0.30950 -1.0 2.0
   65    38   -44    51   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   49    47    40    37   1.00000 -1.0 2.0
   40    54    47    48  10.50000 -1.0 2.0
   64    66    63    54   1.00000 -1.0 2.0
   63    68    66    67  10.50000 -1.0 2.0
   66    69    68    70  10.50000 -1.0 2.0
   71    80    69    68   4.00000 -1.0 2.0
   74    72    71    69   1.10000 -1.0 2.0
   80    81    79    74   4.00000 -1.0 2.0
   83    79    81    82   1.00000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
END
