* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    203    333     605
    1     0 S   NP   _N1_     1    28.64334    96.98127   -20.31451
    2     1 S   H    _HN1     2     1.02989    89.14128    55.26406
    3     1 S   H    _H1_     3     1.02837    43.78725   171.51751
    4     1 S   H    _H2_     4     1.02793    76.52824   -53.59331
    5     1 S   CT   _CA1     5     1.50135   153.20939  -166.11206
    6     5 S   HC   _HA1     6     1.09606   105.20278    43.45963
    7     5 S   CO3  _C1_     7     1.53729   112.49692   -76.27813
    8     7 S   O2Z  _O11     8     1.26334   115.05334   -48.59350
    9     7 S   O2Z  _O12     9     1.26217   114.95307   130.76288
   10     5 S   CT   _CB1    10     1.53077   107.24795   160.74130
   11    10 S   HC   HB11    11     1.09819   108.83577   -57.00887
   12    10 S   HC   HB12    12     1.09705   110.68892    59.18807
   13    10 S   CT   _CG1    13     1.52858   112.87423  -178.47864
   14    13 S   HC   HG11    14     1.09615   110.24589   -66.76562
   15    13 S   HC   HG12    15     1.09657   110.10734    52.37519
   16    13 S   C    _CD1    16     1.51755   112.40711   172.36578
   17    16 S   O    _OE1    17     1.22704   123.33102    -9.63700
   18    16 S   N    _N2_    18     1.38557   111.52597   171.82324
   19    18 S   H    _HN2    19     1.01590   119.02843    -1.14620
   20    18 S   CT1  _CA2    20     1.46021   123.41937   176.71366
   21    20 S   HC   _HA2    21     1.09758   109.46375    -9.26219
   22    20 S   C    _C2_    22     1.53576   108.06795  -124.46777
   23    22 S   O    _O2_    23     1.23028   122.34930  -145.10702
   24    20 S   CT   _CB2    32     1.53539   111.76499   113.18559
   25    24 S   HC   HB21    33     1.09277   109.32368    51.34028
   26    24 S   HC   HB22    34     1.09181   108.47254   170.61915
   27    22 S   N    _N3_    24     1.38539   113.38780    42.39459
   28    27 S   H    _HN3    25     1.01509   118.95069    -0.58283
   29    24 S   S    _SG2    35     1.82622   111.31241   -69.97737
   30    27 S   CT   _CA3    26     1.45433   123.31996   174.89704
   31    30 S   HC   HA31    27     1.09532   109.07072    27.61373
   32    30 S   HC   HA32    28     1.09490   107.16238   144.61263
   33    29 S   CT   _C21    36     1.90342   104.98779  -174.89904
   34    30 S   CO3  _C3_    29     1.52944   113.24039   -95.72912
   35    34 S   O2Z  _O31    30     1.26393   115.48020   -42.46846
   36    34 S   O2Z  _O32    31     1.26366   114.93349   138.46636
   37    33 S   CM   _C5_    37     1.55413   109.62092    32.80215
   38    37 S   CM   _C4_    38     1.34936   120.44805   -95.05360
   39    38 S   HC   _H39    39     1.08509   121.71105  -177.36344
   40    37 S   CT   _C20    74     1.55001   119.65852    90.97201
   41    38 S   CO4  _C6_    40     1.47169   122.73428     5.92238
   42    41 S   O    _O26    41     1.22488   121.21267   166.74411
   43    40 S   CT   _C8_    75     1.55731   108.69535   -25.32143
   44    43 S   HC   _H40    76     1.09953   106.78033   -62.81091
   45    40 S   C3T  _C12    90     1.53126   113.56382  -140.12259
   46    45 S   HC   _H44    91     1.08182   115.73678    17.77599
   47    40 S   CT   _C23    99     1.55441   105.53926    99.11358
   48    47 S   HC   _H52   100     1.08887   113.42914  -172.26132
   49    47 S   HC   _H53   101     1.09777   110.70016    68.66022
   50    47 S   HC   _H54   102     1.09156   113.57685   -50.81383
   51    41 S   OS   _O28    42     1.35350   115.81845   -10.72622
   52    43 S   CT   _C10    77     1.51842   113.89831    57.46310
   53    52 S   HC   _H42    78     1.10085   108.83653  -155.97692
   54    81 S   O3T  _O30    92     1.43358   116.08540  -103.75766
   55    33 S   CT   _C18    43     1.57431   112.83419   -83.60645
   56    55 S   HC   _H50    44     1.10269   106.95519   178.62841
   57    33 S   CT   _C9_    79     1.60010   110.27734   151.75567
   58    57 S   OM   _O25    80     1.32709   111.64928    55.19312
   59    57 S   HC   _H41    81     1.09802   105.45018  -178.25729
   60    52 S   OS   _O29    82     1.44206   103.48919    91.47035
   61    55 S   CT   _C27    45     1.55483   121.18217   -62.15048
   62    61 S   HC   _H63    46     1.09446   108.33021   -64.23422
   63    60 S   CO4  _C7_    83     1.37211   110.09541    25.91158
   64    63 S   O    _O27    84     1.22230   123.99745   173.01312
   65    61 S   CT   _C25    47     1.53569   110.06614   178.67825
   66    65 S   HC   _H58    48     1.09516   111.37632   -76.35340
   67    65 S   HC   _H59    49     1.09386   110.94763   164.70143
   68    65 S   HC   _H60    50     1.09478   111.40067    45.71749
   69    61 S   OS1  _O39    51     1.43145   111.10365    56.85541
   70    43 S   CT   _C22    85     1.54585   116.15603   176.94162
   71    69 S   CO1  _C19    52     1.43738   113.90963  -157.55122
   72    71 S   HC   _H51    53     1.09809   108.74592    43.78065
   73    70 S   CT   _C13    86     1.55536   114.73218    31.02969
   74    73 S   HC   _H45    87     1.09692   109.53139   137.53591
   75    70 S   CT   _C24    95     1.54659   110.15931   153.32206
   76    75 S   HC   _H55    96     1.09570   110.99457   -64.33970
   77    75 S   HC   _H56    97     1.09670   110.74634   175.72062
   78    75 S   HC   _H57    98     1.09491   112.71318    56.78650
   79    71 S   CT   _C16    54     1.53468   107.92566   162.51677
   80    79 S   HC   _H48    55     1.09656   110.62067    54.07609
   81    73 S   C3T  _C11    88     1.50529   112.43256    19.36781
   82    81 S   HC   _H43    89     1.08110   114.16110   113.40432
   83    73 S   OH   _O34    93     1.42521   113.58038  -105.95939
   84    83 S   HO   _H64    94     0.97336   107.76549   -57.88369
   85    79 S   CT   _C14    56     1.53198   110.67067   176.66845
   86    85 S   HC   _H46    57     1.09686   109.91973    73.49211
   87    79 S   OH5  _O37    72     1.42819   109.92169   -63.84974
   88    87 S   HO   _H67    73     0.97500   107.37539    48.09420
   89    85 S   CT   _C15    58     1.53260   111.67587   -49.19424
   90    89 S   HC   _H47    59     1.09662   109.19435   -72.39316
   91    85 S   OH5  _O35    70     1.43003   109.86983  -170.80724
   92    91 S   HO   _H65    71     0.97602   107.53664    68.16607
   93    89 S   CT   _C17    60     1.53104   110.89178    48.80954
   94    93 S   HC   _H49    61     1.09831   111.01327    65.38906
   95    89 S   OH5  _O36    68     1.42682   109.68519   170.73068
   96    95 S   HO   _H66    69     0.97252   108.05753   -57.19343
   97    71 S   OS1  _O33    62     1.42764   111.24725   -77.81722
   98    93 S   CT   _C26    63     1.52978   111.45945  -173.81037
   99    98 S   HC   _H61    64     1.09505   110.99716    69.73883
  100    98 S   HC   _H62    65     1.09398   111.55207   -52.65210
  101    98 S   OH5  _O38    66     1.42521   109.10065  -171.59160
  102   101 S   HO   _H68    67     0.97231   106.97686  -177.75615
  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
  21   2   1   1  24  10   4  21   5   2  25  10  13   5   7   2
   1   1   7  11   6   6  12   5   6   2   1   5  10   6  10   3
   5   3   2   1   8  10  13   6   9   5   5   2   1   1  12   7
   3   1   1   1  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    55    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    51    55    56    61    40    52    57    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    51    55    56    61    62    65    69    40    43    52    53    57    58    59    60    45    47  
   35    36  
   36  
    0  
   38    39    41    42    51    55    56    61    40    43    44    52    57    58    59    70    81    45    46    54    47    48    49    50  
   39    41    42    51    55    40    43    57    45    47  
   41    42    51    40  
   43    44    52    53    57    60    63    70    73    81    82    45    46    54    75    47    48    49    50    41    55  
   42    51    55    56    61  
   51    55  
   44    52    53    57    58    59    60    63    64    70    73    74    81    45    46    54    83    75    76    77    78    47    48    49    50  
   52    53    57    60    63    70    73    45    75    47  
   46    54    83    47    48    49    50    52    70    73    74    81    82  
   54    47    73    81    82  
   48    49    50    52    54    70    81  
   49    50  
   50  
    0  
   55    56    61    62    65    69    57  
   53    57    58    59    60    63    64    70    73    75    55  
   57    58    59    60    63    70  
   83    70    73    74    81    82  
   56    61    62    65    66    67    68    69    71    57    58    59  
   61    62    65    69    57  
   58    59    60    63    70    61  
   59    60  
   60  
   63    64    70    73    75  
   62    65    66    67    68    69    71    72    79    97  
   65    66    67    68    69    71  
   64    70    73    74    81    83    75    76    77    78  
   70    73    75  
   66    67    68    69    71  
   67    68    69  
   68    69  
   69  
   71    72    79    80    85    93    97    87  
   73    74    81    82    83    84    75    76    77    78  
   72    79    80    85    86    89    93    94    97    98    91    87    88  
   79    80    85    93    97    87  
   74    81    82    83    84    75    76    77    78  
   81    82    83    84    75  
   76    77    78    81    83  
   77    78  
   78  
    0  
   80    85    86    89    90    93    97    95    91    92    87    88  
   85    86    89    97    91    87    88  
   82    83    84  
   83  
   84  
    0  
   86    89    90    93    94    97    98    95    96    91    92    87    88  
   89    90    93    95    91    92    87  
   88    89    91    97  
    0  
   90    93    94    97    98    99   100   101    95    96    91    92  
   93    94    97    98    95    96    91  
   92    93    95  
    0  
   94    97    98    99   100   101   102    95    96  
   97    98    99   100   101    95  
   96    97    98  
    0  
   98    99   100   101  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   3.5000   0.0660   0.205000   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   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    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    55   268.000  1.529
   33    57   268.000  1.529
   37    38   549.000  1.340
   37    40   317.000  1.510
   38    39   340.000  1.080
   38    41   320.000  1.462
   41    42   570.000  1.229
   41    51   214.000  1.327
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    69   335.000  1.422
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    71   370.000  1.399
   71    72   360.000  1.097
   71    79   255.000  1.525
   71    97   370.000  1.399
   79    80   340.000  1.090
   79    85   268.000  1.529
   79    87   355.000  1.421
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   355.000  1.421
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   355.000  1.421
   93    94   340.000  1.090
   93    97   335.000  1.422
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   355.000  1.421
  101   102   580.000  0.967
   95    96   580.000  0.967
   91    92   580.000  0.967
   87    88   580.000  0.967
   40    43   268.000  1.529
   40    45   275.000  1.510
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    52   268.000  1.529
   43    70   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    60   320.000  1.410
   57    58   570.000  1.307
   57    59   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    73   268.000  1.529
   70    75   268.000  1.529
   73    74   340.000  1.090
   73    81   275.000  1.510
   73    83   320.000  1.410
   81    82   340.000  1.088
   81    45   260.000  1.509
   81    54   335.000  1.432
   45    46   340.000  1.088
   45    54   335.000  1.432
   83    84   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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    55    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    55    51    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    61    58.35000  112.70000
   33    57    52    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    65.00000  118.96000
   37    40    43    70.00000  112.02700
   37    40    45    70.00000  112.02700
   37    40    47    70.00000  112.02700
   38    41    42    80.00000  123.72100
   38    41    51    90.00000  111.29400
   41    38    39    40.00000  117.72500
   41    51    55    83.00000  116.90000
   51    41    42    83.00000  123.40000
   51    55    56    35.00000  109.50000
   51    55    61    50.00000  109.50000
   55    33    37    70.00000  112.02700
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    61    69    95.00000  107.88500
   61    55    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    71    90.00000  112.10700
   65    61    62    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    55.00000  108.98800
   69    61    65    95.00000  107.88500
   69    71    72    60.00000  105.75400
   69    71    79    90.00000  109.70700
   69    71    97   110.00000  113.16000
   71    79    80    45.00000  109.54000
   71    79    85    70.00000  111.10000
   71    79    87    90.00000  109.42000
   71    97    93    90.00000  112.10700
   79    71    72    45.00000  111.65000
   79    85    86    37.50000  110.70000
   79    85    89    58.35000  112.70000
   79    85    91    90.00000  111.45300
   79    87    88    65.00000  108.53500
   85    79    80    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    95    90.00000  111.45300
   85    91    92    65.00000  108.53500
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    95.00000  107.88500
   89    93    98    58.35000  112.70000
   89    95    96    65.00000  108.53500
   93    89    90    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    90.00000  111.45300
   97    71    72    60.00000  105.75400
   97    71    79    90.00000  109.70700
   97    93    94    55.00000  108.98800
   98    93    94    37.50000  110.70000
   98    93    97    95.00000  107.88500
   98   101   102    65.00000  108.53500
  100    98    99    33.00000  107.80000
  101    98    99    60.00000  109.39000
  101    98   100    60.00000  109.39000
   95    89    90    60.00000  109.39000
   95    89    93    90.00000  111.45300
   91    85    86    60.00000  109.39000
   91    85    89    90.00000  111.45300
   87    79    80    60.00000  109.39000
   87    79    85    90.00000  111.45300
   40    37    38    70.00000  124.00000
   40    43    44    37.50000  110.70000
   40    43    52    58.35000  112.70000
   40    43    70    58.35000  112.70000
   40    45    81    60.00000  120.94000
   40    45    46    40.00000  115.04500
   40    45    54    80.00000  116.47100
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    57    58.35000  112.70000
   43    52    60    50.00000  109.50000
   43    70    63    63.00000  111.10000
   43    70    73    58.35000  112.70000
   43    70    75    58.35000  112.70000
   52    43    44    37.50000  110.70000
   52    57    58    50.00000  109.50000
   52    57    59    37.50000  110.70000
   52    60    63    83.00000  116.90000
   57    33    37    70.00000  112.02700
   57    33    55    58.35000  112.70000
   57    52    53    37.50000  110.70000
   59    57    58    45.00000  125.66300
   60    52    53    35.00000  109.50000
   60    52    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    70    81.00000  111.40000
   63    70    73    63.00000  111.10000
   63    70    75    63.00000  111.10000
   70    43    44    37.50000  110.70000
   70    43    52    58.35000  112.70000
   70    63    64    80.00000  120.40000
   70    73    74    37.50000  110.70000
   70    73    81    70.00000  112.37300
   70    73    83    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   73    81    82    40.00000  115.04500
   73    81    45    60.00000  120.94000
   73    81    54    80.00000  116.47100
   73    83    84    55.00000  108.50000
   81    73    74    45.00000  109.38400
   81    45    46    37.50000  117.20000
   81    45    54    15.00000   60.43100
   81    54    45    15.00000   59.14900
   45    40    43    70.00000  112.37300
   45    81    82    37.50000  117.20000
   54    81    82    50.00000  114.27700
   54    81    45    15.00000   60.43100
   54    45    46    50.00000  114.27700
   83    73    74    35.00000  109.50000
   83    73    81    50.00000  109.50000
   75    70    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   47    40    43    58.35000  112.70000
   47    40    45    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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
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   63    70    75    76  -0.11250  1.0 3.0
   63    70    75    77  -0.11250  1.0 3.0
   63    70    75    78  -0.11250  1.0 3.0
   64    63    70    43   0.30150 -1.0 2.0
   64    63    70    73   0.30150 -1.0 2.0
   64    63    70    75   0.30150 -1.0 2.0
   70    43    52    53   0.15000  1.0 3.0
   70    43    52    57   0.56750  1.0 1.0
   70    43    52    57  -0.07550 -1.0 2.0
   70    43    52    57   0.20000  1.0 3.0
   70    43   -52    60   0.62750  1.0 1.0
   70    43   -52    60  -0.30950 -1.0 2.0
   70    43   -52    60   0.27300  1.0 3.0
   70    73    81    82   0.15000  1.0 3.0
   70    73    81    45   0.07850  1.0 1.0
   70    73    81    45  -0.03950 -1.0 2.0
   70    73    81    45   0.67350  1.0 3.0
   70    73    81    54   0.02550  1.0 1.0
   70    73    81    54  -0.02600 -1.0 2.0
   70    73    81    54   1.20400  1.0 3.0
   70    73    83    84  -0.11600  1.0 1.0
   70    73    83    84  -0.09450 -1.0 2.0
   70    73    83    84   0.21250  1.0 3.0
   73    70    75    76   0.15000  1.0 3.0
   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    81   -45    40   0.56750  1.0 1.0
   73    81   -45    40  -0.07550 -1.0 2.0
   73    81   -45    40   0.20000  1.0 3.0
   73    81    45    46   0.15000  1.0 3.0
   73    81   -45    54   0.02550  1.0 1.0
   73    81   -45    54  -0.02600 -1.0 2.0
   73    81   -45    54   1.20400  1.0 3.0
   73    81   -54    45   0.06250  1.0 1.0
   73    81   -54    45  -0.01100 -1.0 2.0
   73    81   -54    45   0.28050  1.0 3.0
   74    73    81    82   0.15000  1.0 3.0
   74    73    81    45   0.15000  1.0 3.0
   74    73    81    54   0.23400  1.0 3.0
   74    73    83    84   0.19450  1.0 3.0
   81    73    83    84  -0.11600  1.0 1.0
   81    73    83    84  -0.09450 -1.0 2.0
   81    73    83    84   0.21250  1.0 3.0
   82    81    45    40   0.15000  1.0 3.0
   82    81    45    46   0.15000  1.0 3.0
   82    81   -45    54   0.23400  1.0 3.0
   82    81   -54    45   0.36800  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    52   0.47050  1.0 1.0
   45    40    43    52   0.03900 -1.0 2.0
   45    40    43    52   0.20100  1.0 3.0
   45    40   -43    70   0.47050  1.0 1.0
   45    40   -43    70   0.03900 -1.0 2.0
   45    40   -43    70   0.20100  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    50   0.15000  1.0 3.0
   46    45   -54    81   0.36800  1.0 3.0
   54    81   -45    40   0.02550  1.0 1.0
   54    81   -45    40  -0.02600 -1.0 2.0
   54    81   -45    40   1.20400  1.0 3.0
   54    81   -45    46   0.23400  1.0 3.0
   83    73    81    82   0.23400  1.0 3.0
   83    73    81    45   0.86500  1.0 1.0
   83    73    81    45  -0.17500 -1.0 2.0
   83    73    81    45   0.20800  1.0 3.0
   83    73    81    54   3.69350  1.0 1.0
   83    73    81    54  -1.82950 -1.0 2.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    81   0.47050  1.0 1.0
   75    70    73    81   0.03900 -1.0 2.0
   75    70    73    81   0.20100  1.0 3.0
   75    70    73    83   0.86500  1.0 1.0
   75    70    73    83  -0.17500 -1.0 2.0
   75    70    73    83   0.20800  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    52   0.56750  1.0 1.0
   47    40    43    52  -0.07550 -1.0 2.0
   47    40    43    52   0.20000  1.0 3.0
   47    40    43    70   0.56750  1.0 1.0
   47    40    43    70  -0.07550 -1.0 2.0
   47    40    43    70   0.20000  1.0 3.0
   47    40    45    81   0.07850  1.0 1.0
   47    40    45    81  -0.03950 -1.0 2.0
   47    40    45    81   0.67350  1.0 3.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    54   0.02550  1.0 1.0
   47    40    45    54  -0.02600 -1.0 2.0
   47    40    45    54   1.20400  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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    51    41    42  10.50000 -1.0 2.0
   60    70    63    64  10.50000 -1.0 2.0
END
