* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    32.16161    92.01490   -14.57635
    2     1 S   H    _HN1     2     1.02857    45.72954    75.57293
    3     1 S   H    _H1_     3     1.03496   109.45476   -20.35911
    4     1 S   H    _H2_     4     1.02975   139.90532   134.34288
    5     1 S   CT   _CA1     5     1.50989    68.47181  -127.40354
    6     5 S   HC   _HA1     6     1.09625   104.66092    45.69449
    7     5 S   CO3  _C1_     7     1.54613   111.37557   -69.84008
    8     7 S   O2Z  _O11     8     1.26732   114.14892    32.94857
    9     7 S   O2Z  _O12     9     1.25995   116.73481  -147.53719
   10     5 S   CT   _CB1    10     1.52954   105.81563   161.45072
   11    10 S   HC   HB11    11     1.09828   109.17011   -44.49536
   12    10 S   HC   HB12    12     1.09315   108.90194    70.60202
   13    10 S   CT   _CG1    13     1.53172   115.65809  -166.00490
   14    13 S   HC   HG11    14     1.09348   112.23834   -68.76637
   15    13 S   HC   HG12    15     1.09551   110.54856    51.67874
   16    13 S   C    _CD1    16     1.51796   109.55555   171.08961
   17    16 S   O    _OE1    17     1.22809   121.83535  -109.99937
   18    16 S   N    _N2_    18     1.38547   112.75461    68.18050
   19    18 S   H    _HN2    19     1.01707   119.07057     6.15746
   20    18 S   CT1  _CA2    20     1.46375   123.58020  -167.67478
   21    20 S   HC   _HA2    21     1.09713   109.30041    -7.68173
   22    20 S   C    _C2_    22     1.53212   109.13558  -124.17063
   23    22 S   O    _O2_    23     1.23037   122.09033  -148.56660
   24    20 S   CT   _CB2    32     1.54071   110.68079   113.65913
   25    24 S   HC   HB21    33     1.09088   108.62849    62.82149
   26    24 S   HC   HB22    34     1.09484   110.76924  -178.89855
   27    22 S   N    _N3_    24     1.38459   113.57073    38.93504
   28    27 S   H    _HN3    25     1.01528   118.88786    -0.62932
   29    24 S   S    _SG2    35     1.82554   110.46766   -58.86378
   30    27 S   CT   _CA3    26     1.45411   123.23451   175.49715
   31    30 S   HC   HA31    27     1.09545   108.90315    30.01579
   32    30 S   HC   HA32    28     1.09489   107.18231   146.92830
   33    29 S   CT   _C7_    36     1.84842   103.05322   159.29077
   34    33 S   HC   _H6_    37     1.09744   105.82100    67.93880
   35    30 S   CO3  _C3_    29     1.52936   113.44389   -93.25944
   36    35 S   O2Z  _O31    30     1.26377   115.56039   -41.97281
   37    35 S   O2Z  _O32    31     1.26386   114.89174   139.04954
   38    33 S   CT   _C6_    38     1.55668   107.04827  -177.77754
   39    38 S   HC   _H5_    39     1.09584   109.16603   -59.52659
   40    38 S   CT   _C5_    40     1.54260   109.64586  -178.86650
   41    40 S   HC   _H4_    41     1.09702   108.76100    62.20925
   42    38 S   OS   _O41    78     1.43213   109.11250    58.60703
   43    40 S   CT   _C4_    42     1.53662   112.20472   -57.34220
   44    43 S   HC   _H3_    43     1.09677   108.82336  -179.50425
   45    40 S   OS   _O45    72     1.42324   110.61160  -179.48909
   46    42 S   P2   _P3_    79     1.63070   122.20050  -152.28160
   47    46 S   O2Z  _O44    80     1.51335   108.13487   151.36796
   48    46 S   O2Z  _O42    81     1.51134   111.44824    16.59360
   49    43 S   CT   _C9_    44     1.53836   109.16595    59.43600
   50    49 S   HC   _H8_    45     1.09282   108.46366  -178.24900
   51    43 S   OS   _O49    61     1.42253   108.95117   -61.01744
   52    45 S   P2   _P4_    73     1.63171   119.72463   -94.63873
   53    52 S   O2Z  _O48    74     1.51134   108.40857  -107.70705
   54    52 S   O2Z  _O46    75     1.51128   110.77319    27.60166
   55    46 S   OS   _O43    82     1.62986    98.85851   -97.07323
   56    55 S   HO   _H12    83     0.98127   115.98675    72.26765
   57    33 S   CT   _C8_    46     1.55465   115.52017   -51.28421
   58    57 S   HC   _H7_    47     1.09377   108.43424    66.53399
   59    49 S   OS   _O33    55     1.42756   108.30640    63.45269
   60    51 S   P1   _P5_    62     1.60871   121.79699  -155.43833
   61    60 S   O2Z  _O50    63     1.49818   116.25741   -39.55879
   62    52 S   OS   _O47    76     1.63079    97.61196   140.05224
   63    62 S   HO   _H13    77     0.98450   115.05867   -71.41618
   64    57 S   OS   _O37    48     1.42664   111.90468   -53.35882
   65    59 S   P2   _P1_    56     1.62972   119.03422   140.23128
   66    65 S   O2Z  _O36    57     1.51090   109.17860   -68.53736
   67    65 S   O2Z  _O34    58     1.51069   109.57758    66.71544
   68    60 S   OS   _O51    64     1.61461   103.57634    87.48115
   69    68 S   HO   _H14    65     0.98031   116.90260   176.18987
   70    60 S   OS   _O52    66     1.61527   101.96105  -165.81534
   71    64 S   P1   _P2_    49     1.61737   119.46662   150.23814
   72    71 S   O2Z  _O38    50     1.49841   116.66556    39.55782
   73    65 S   OS   _O35    59     1.63014    98.21717   179.52563
   74    73 S   HO   _H9_    60     0.97877   116.07562    79.91372
   75    70 S   P2   _P6_    67     1.62572   127.70798   170.13359
   76    75 S   O2Z  _O55    68     1.51032   109.34509    56.87835
   77    75 S   O2Z  _O53    69     1.51153   107.77639   -77.10793
   78    71 S   OS   _O39    51     1.61517   104.70535   -86.82770
   79    78 S   HO   _H10    52     0.97977   116.89676   174.48669
   80    71 S   OS   _O40    53     1.61251   103.65896   165.84972
   81    80 S   HO   _H11    54     0.98452   118.22268   -97.03303
   82    75 S   OS   _O54    70     1.62851    99.23948   170.78721
   83    82 S   HO   _H15    71     0.98434   116.81330    93.17796
  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  10   5   4   3
  16   8   2   1   1  17   7  16   7   8  15   7   7   4   3   2
  12   6   8   4   3   2   1   1   8   3   6   8   4   1   1   6
   4   3   2   3   1   5   5   4   1   1   4   3   2   3   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    64    71    59    45    42    46  
   38    39    40    49    57    58    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    64    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    62    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    64    59    65    51    60    61    68    70    45    52  
   49    50    57    59    51    60    45  
   52    53    54    62    63    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    64    71    59    65    66    67    73    51    60  
   57    58    64    59    65    51  
   60    61    68    69    70    75    57    59  
   53    54    62    63  
   54    62    63  
   62    63  
   56  
    0  
   58    64    71    72    78    80    59    65  
   64    71    59  
   65    66    67    73    74    64  
   61    68    69    70    75    76    77    82  
   68    69    70    75  
   63  
    0  
   71    72    78    79    80    81  
   66    67    73    74  
   67    73    74  
   73    74  
   69    70    75  
   70  
   75    76    77    82    83  
   72    78    79    80    81  
   78    79    80    81  
   74  
    0  
   76    77    82    83  
   77    82    83  
   82    83  
   79    80    81  
   80  
   81  
    0  
   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   0.107500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.8500   0.1400  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   73   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7400   0.2000   1.565000   2.1070   1.8700   0.005000000   0.000000000
   76   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   78   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    71   405.000  1.623
   71    72   675.000  1.490
   71    78   405.000  1.623
   71    80   405.000  1.623
   78    79   553.000  0.945
   80    81   553.000  0.945
   59    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    73   230.000  1.697
   73    74   553.000  0.945
   51    60   405.000  1.623
   60    61   675.000  1.490
   60    68   405.000  1.623
   60    70   405.000  1.623
   68    69   553.000  0.945
   70    75   230.000  1.697
   75    76   525.000  1.480
   75    77   525.000  1.480
   75    82   230.000  1.697
   82    83   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    62   230.000  1.697
   62    63   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   49    59    65   100.00000  120.50000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    64    71    75.00000  119.24600
   64    57    58    35.00000  109.50000
   64    71    72   100.00000  115.86100
   64    71    78   120.00000  102.38000
   64    71    80   120.00000  102.38000
   71    78    79    50.00000  113.86100
   71    80    81    50.00000  113.86100
   78    71    72   100.00000  115.86100
   80    71    72   100.00000  115.86100
   80    71    78   120.00000  102.38000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    65    66   100.00000  108.23000
   59    65    67   100.00000  108.23000
   59    65    73    45.00000  102.60000
   65    73    74    45.00000  108.50000
   67    65    66   140.00000  119.90000
   73    65    66   100.00000  108.23000
   73    65    67   100.00000  108.23000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  115.86100
   51    60    68   120.00000  102.38000
   51    60    70   120.00000  102.38000
   60    68    69    50.00000  113.86100
   60    70    75    55.00000  126.09000
   68    60    61   100.00000  115.86100
   70    60    61   100.00000  115.86100
   70    60    68   120.00000  102.38000
   70    75    76   100.00000  108.23000
   70    75    77   100.00000  108.23000
   70    75    82    45.00000  102.60000
   75    82    83    45.00000  108.50000
   77    75    76   140.00000  119.90000
   82    75    76   100.00000  108.23000
   82    75    77   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    62    45.00000  102.60000
   52    62    63    45.00000  108.50000
   54    52    53   140.00000  119.90000
   62    52    53   100.00000  108.23000
   62    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    57    64    71  -2.65550  1.0 1.0
   33    57    64    71  -0.22350 -1.0 2.0
   33    57    64    71   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    64   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    64   0.62750  1.0 1.0
   38    33    57    64  -0.30950 -1.0 2.0
   38    33    57    64   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    62   0.05050  1.0 1.0
   40    45    52    62  -1.30700 -1.0 2.0
   40    45    52    62   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    64   0.62750  1.0 1.0
   43    49    57    64  -0.30950 -1.0 2.0
   43    49    57    64   0.27300  1.0 3.0
   43    49    59    65  -2.65550  1.0 1.0
   43    49    59    65  -0.22350 -1.0 2.0
   43    49    59    65   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    68   0.91800  1.0 1.0
   43    51    60    68   0.22900 -1.0 2.0
   43    51    60    68   0.32050  1.0 3.0
   43    51    60    70   0.91800  1.0 1.0
   43    51    60    70   0.22900 -1.0 2.0
   43    51    60    70   0.32050  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    64    71  -2.65550  1.0 1.0
   49    57    64    71  -0.22350 -1.0 2.0
   49    57    64    71   0.24150  1.0 3.0
   49    59    65    66   0.00000  1.0 1.0
   49    59    65    67   0.00000  1.0 1.0
   49    59    65    73   0.05050  1.0 1.0
   49    59    65    73  -1.30700 -1.0 2.0
   49    59    65    73   0.91550  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   50    49    59    65   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    65  -2.65550  1.0 1.0
   57    49    59    65  -0.22350 -1.0 2.0
   57    49    59    65   0.24150  1.0 3.0
   57    64    71    72   0.00000  1.0 1.0
   57    64    71    78   0.91800  1.0 1.0
   57    64    71    78   0.22900 -1.0 2.0
   57    64    71    78   0.32050  1.0 3.0
   57    64    71    80   0.91800  1.0 1.0
   57    64    71    80   0.22900 -1.0 2.0
   57    64    71    80   0.32050  1.0 3.0
   58    57    64    71   0.03000  1.0 3.0
   64    71    78    79  -0.22900  1.0 1.0
   64    71    78    79   0.09450 -1.0 2.0
   64    71    78    79  -0.07800  1.0 3.0
   64    71    80    81  -0.22900  1.0 1.0
   64    71    80    81   0.09450 -1.0 2.0
   64    71    80    81  -0.07800  1.0 3.0
   72    71    78    79   0.00000  1.0 1.0
   72    71    80    81   0.00000  1.0 1.0
   78    71    80    81  -0.22900  1.0 1.0
   78    71    80    81   0.09450 -1.0 2.0
   78    71    80    81  -0.07800  1.0 3.0
   80    71    78    79  -0.22900  1.0 1.0
   80    71    78    79   0.09450 -1.0 2.0
   80    71    78    79  -0.07800  1.0 3.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    64   1.11900  1.0 1.0
   59    49    57    64  -1.16350 -1.0 2.0
   59    49    57    64  -0.34150  1.0 3.0
   59    65    73    74   0.00000  1.0 1.0
   66    65    73    74   0.00000  1.0 1.0
   67    65    73    74   0.00000  1.0 1.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    68    69  -0.22900  1.0 1.0
   51    60    68    69   0.09450 -1.0 2.0
   51    60    68    69  -0.07800  1.0 3.0
   51    60    70    75   0.88300  1.0 1.0
   51    60    70    75   0.16450 -1.0 2.0
   51    60    70    75   0.32850  1.0 3.0
   60    70    75    76   0.50000  1.0 3.0
   60    70    75    77   0.50000  1.0 3.0
   60    70    75    82   0.15000  1.0 3.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    70    75   0.50000  1.0 3.0
   68    60    70    75   0.88300  1.0 1.0
   68    60    70    75   0.16450 -1.0 2.0
   68    60    70    75   0.32850  1.0 3.0
   70    60    68    69  -0.22900  1.0 1.0
   70    60    68    69   0.09450 -1.0 2.0
   70    60    68    69  -0.07800  1.0 3.0
   70    75    82    83   0.00000  1.0 1.0
   76    75    82    83   0.00000  1.0 1.0
   77    75    82    83   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    62    63   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   54    52    62    63   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
END
