* LIGAND DATABASE FILE (OPLS2005)
*
001      89    94    163    267     479
    1     0 S   NP   _N1_     1    28.68781    94.73795   -21.17782
    2     1 S   H    _HN1     2     1.02837    31.27926   148.20126
    3     1 S   H    _H1_     3     1.02780    89.71994   -84.95655
    4     1 S   H    _H2_     4     1.02966    89.76145    23.35356
    5     1 S   CT   _CA1     5     1.50105   142.04547   147.50228
    6     5 S   HC   _HA1     6     1.09566   105.29117    59.59716
    7     5 S   CO3  _C1_     7     1.53757   112.32897   -60.78443
    8     7 S   O2Z  _O11     8     1.26359   114.95639   -44.71205
    9     7 S   O2Z  _O12     9     1.26244   114.91642   134.51137
   10     5 S   CT   _CB1    10     1.53062   107.44112   177.64034
   11    10 S   HC   HB11    11     1.09826   109.43374   -50.13988
   12    10 S   HC   HB12    12     1.09828   110.35666    66.41320
   13    10 S   CT   _CG1    13     1.53025   112.70047  -171.21886
   14    13 S   HC   HG11    14     1.09608   110.46764   -61.98583
   15    13 S   HC   HG12    15     1.09634   110.05720    57.33101
   16    13 S   C    _CD1    16     1.51784   112.12662   177.77191
   17    16 S   O    _OE1    17     1.22729   123.22108    -2.66183
   18    16 S   N    _N2_    18     1.38638   111.71885   177.13926
   19    18 S   H    _HN2    19     1.01576   119.08682     2.51201
   20    18 S   CT1  _CA2    20     1.46269   123.20341  -177.10930
   21    20 S   HC   _HA2    21     1.09728   109.39506   -10.94462
   22    20 S   C    _C2_    22     1.53353   108.51138  -126.81856
   23    22 S   O    _O2_    23     1.23014   122.17523  -145.61602
   24    20 S   CT   _CB2    32     1.53430   111.27214   110.91698
   25    24 S   HC   HB21    33     1.09467   109.66161    58.97389
   26    24 S   HC   HB22    34     1.09525   110.59086   177.15696
   27    22 S   N    _N3_    24     1.38481   113.37616    41.65498
   28    27 S   H    _HN3    25     1.01529   118.91759    -0.61739
   29    24 S   S    _SG2    35     1.82867   111.54000   -63.43789
   30    27 S   CT   _CA3    26     1.45466   123.53445   175.12356
   31    30 S   HC   HA31    27     1.09517   109.34338    22.09863
   32    30 S   HC   HA32    28     1.09499   107.09030   139.12832
   33    29 S   CT   _C27    36     1.85548   100.01836   152.23833
   34    33 S   HC   _H4_    37     1.09676   106.03026    43.13221
   35    30 S   CO3  _C3_    29     1.52929   113.05987  -101.44945
   36    35 S   O2Z  _O31    30     1.26408   115.38651   -44.40575
   37    35 S   O2Z  _O32    31     1.26352   114.98912   136.50681
   38    33 S   CT   _C28    38     1.53273   109.85661   -76.99293
   39    38 S   HC   _H5_    39     1.09574   111.53230    42.78073
   40    33 S   CO   _C14    48     1.55135   110.70125   160.68549
   41    38 S   CA   _C9_    40     1.50320   111.55840   -79.64082
   42    40 S   CT   _C15    49     1.56415   112.82213  -167.46675
   43    42 S   HC   _H3_    50     1.09701   111.84409    30.72023
   44    38 S   OH   _O44    88     1.42787   109.88627   160.76289
   45    44 S   HO   _H19    89     0.97303   107.43890   -67.34423
   46    41 S   CA   _C8_    41     1.40245   119.51947   163.80954
   47    46 S   HA   _H10    42     1.08903   119.15789     0.34150
   48    42 S   CA   _C16    51     1.48826    99.89941   144.39705
   49    42 S   OH   _O43    74     1.41186   114.60231   -95.10413
   50    49 S   HO   _H18    75     0.97320   107.28265    73.18675
   51    46 S   CA   _C7_    43     1.40036   121.00133  -179.60238
   52    48 S   CA   _C21    52     1.38229   108.51990   -18.52995
   53    51 S   CA   _C12    44     1.39802   119.88610     0.44367
   54    52 S   CA   _C20    53     1.38269   122.04319  -176.52092
   55    40 S   OS   _O37    73     1.46905   107.44543   -52.64621
   56    53 S   CA   _C11    45     1.40482   119.26089    -0.79006
   57    54 S   CA   _C19    54     1.40636   118.70183    -0.56890
   58    54 S   OH   _O38    71     1.36537   117.24588   179.47400
   59    58 S   HO   _H12    72     0.97352   109.15845   178.09207
   60    53 S   CO4  _C13    78     1.48780   119.11461   179.60189
   61    60 S   O    _O33    79     1.22534   121.35628  -179.79826
   62    41 S   CA   _C10    46     1.39746   121.35456   -16.60284
   63    57 S   CA   _C18    55     1.41250   119.68819     0.82733
   64    56 S   OH   _O35    76     1.37237   122.51058  -179.63631
   65    64 S   HO   _H11    77     0.97320   109.29796    -1.00736
   66    60 S   OS   _O34    80     1.36636   117.21584     0.60877
   67    62 S   OS   _O36    47     1.37070   123.31002    -0.69295
   68    48 S   CA   _C17    56     1.38451   131.00529   166.13040
   69    63 S   CO4  _C25    59     1.48099   119.62467   179.60042
   70    69 S   O    _O40    60     1.22561   121.82957   178.13817
   71    66 S   CM   _C5_    81     1.41078   122.30038    -0.74677
   72    68 S   OH   _O42    57     1.36581   117.27529    -2.67679
   73    72 S   HO   _H17    58     0.97342   109.29226  -178.32112
   74    69 S   CM   _C24    61     1.47204   118.44394    -2.14128
   75    74 S   HC   _H13    62     1.08527   116.73818  -178.87274
   76    51 S   CM   _C6_    82     1.45442   119.87668  -179.66312
   77    76 S   HC   _H9_    83     1.08425   119.38834    -0.67782
   78    71 S   CT   _C4_    84     1.49314   114.06369  -178.77299
   79    78 S   HC   _H6_    85     1.09458   110.20062   -60.22418
   80    78 S   HC   _H7_    86     1.09487   112.07044   179.53145
   81    78 S   HC   _H8_    87     1.09468   110.16292    59.37293
   82    74 S   CM   _C23    63     1.33385   122.45280     0.62055
   83    57 S   CO4  _C22    64     1.48372   120.33262  -179.34928
   84    83 S   O    _O39    65     1.22636   120.87845     4.48026
   85    82 S   OS   _O41    66     1.38358   120.30548   178.35325
   86    85 S   CT   _C26    67     1.42647   110.92575   106.30337
   87    86 S   HC   _H14    68     1.09400   107.88324  -176.32539
   88    86 S   HC   _H15    69     1.09450   111.48942    65.22339
   89    86 S   HC   _H16    70     1.09562   110.95938   -58.06888
  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  13   6  14  11  12   7   3   1  10   4  13
   5   1  11  10  11  10   5   8  12   3   1   7   2   3  10   2
   1   7   1   6   7   3   6   1   1   6   3   5   1   3   2   1
   1   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    67    40    42    55    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    46    62    67    40    42    43    48    52    55    49    44    45  
   38    39    41    67    40    42    55    44  
   36    37  
   37  
    0  
   39    41    46    47    51    56    62    67    40    42    55    44    45  
   41    46    62    40    44    45  
   42    43    48    52    54    68    55    49    50    44    41    56    62    67  
   46    47    51    53    56    62    67    64    76    44    45  
   43    48    52    54    63    68    72    55    49    50    62    67  
   48    52    68    55    49    50    67  
   45    46    62  
    0  
   47    51    53    56    62    67    60    71    76    77  
   51    53    62    76  
   52    54    57    63    68    72    73    69    58    55    49    50    67  
   50    52    55    67    68  
    0  
   53    56    62    64    60    61    66    71    76    77    78  
   54    57    63    68    72    83    58    59    55    67  
   56    62    67    64    65    60    61    66    71    76    77  
   57    63    68    69    82    83    84    58    59    55  
   57    58    62    67    68  
   62    67    64    65    60    61    66    76  
   63    68    72    69    70    74    82    83    84    85    58    59  
   59    63    83  
    0  
   61    66    71    76    78    62    64  
   66    71  
   67    64    65  
   68    72    73    69    70    74    75    82    83    84  
   65    67  
    0  
   71    76    77    78    79    80    81  
    0  
   72    73    69    70    74    83  
   70    74    75    82    83    85    72  
   74    75    82  
   76    77    78    79    80    81  
   73  
    0  
   75    82    83    84    85    86  
   82    83    85  
   77    78    79    80    81  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89  
   84    85    86  
   85  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.320000   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   250.000  1.527
   38    39   340.000  1.090
   38    41   317.000  1.510
   38    44   320.000  1.410
   41    46   469.000  1.400
   41    62   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    53   469.000  1.400
   51    76   320.000  1.460
   53    56   469.000  1.400
   53    60   310.000  1.470
   56    62   469.000  1.400
   56    64   450.000  1.364
   62    67   450.000  1.364
   67    40   320.000  1.380
   40    42   250.000  1.527
   40    55   320.000  1.380
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   320.000  1.410
   48    52   469.000  1.400
   48    68   469.000  1.400
   52    54   469.000  1.400
   52    55   450.000  1.364
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    63   469.000  1.400
   57    83   310.000  1.470
   63    68   469.000  1.400
   63    69   310.000  1.470
   68    72   450.000  1.364
   72    73   553.000  0.945
   69    70   570.000  1.229
   69    74   320.000  1.462
   74    75   340.000  1.080
   74    82   549.000  1.340
   82    83   320.000  1.462
   82    85   440.000  1.360
   83    84   570.000  1.229
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   58    59   553.000  0.945
   49    50   553.000  0.945
   64    65   553.000  0.945
   60    61   570.000  1.229
   60    66   214.000  1.327
   66    71   440.000  1.360
   71    76   549.000  1.340
   71    78   317.000  1.510
   76    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    38    44    50.00000  109.50000
   33    40    67    90.00000  108.56700
   33    40    42    65.00000  112.71400
   33    40    55    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    41    46    70.00000  120.00000
   38    41    62    70.00000  120.00000
   38    44    45    55.00000  108.50000
   41    38    39    35.00000  109.50000
   41    46    47    35.00000  120.00000
   41    46    51    63.00000  120.00000
   41    62    56    63.00000  120.00000
   41    62    67    70.00000  120.00000
   46    51    53    63.00000  120.00000
   46    51    76    60.00000  120.93500
   51    46    47    35.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    60    60.00000  119.52600
   51    76    71    60.00000  123.20500
   51    76    77    40.00000  117.26300
   53    56    62    63.00000  120.00000
   53    56    64    70.00000  120.00000
   53    60    61    75.00000  123.78400
   53    60    66    81.00000  111.40000
   56    62    67    70.00000  120.00000
   56    64    65    35.00000  113.00000
   62    41    46    63.00000  120.00000
   62    67    40   100.00000  112.36700
   67    40    42    90.00000  108.56700
   67    40    55    92.60000  111.55000
   40    33    34    45.00000  108.72000
   40    33    38    75.00000  109.43000
   40    42    43    45.00000  108.72000
   40    42    48    70.00000  112.17500
   40    42    49    90.00000  111.58700
   40    55    52   100.00000  112.36700
   42    48    52    70.00000  120.00000
   42    48    68    70.00000  120.00000
   42    49    50    55.00000  108.50000
   48    42    43    35.00000  109.50000
   48    52    54    63.00000  120.00000
   48    52    55    70.00000  120.00000
   48    68    63    63.00000  120.00000
   48    68    72    70.00000  120.00000
   52    54    57    63.00000  120.00000
   52    54    58    70.00000  120.00000
   54    57    63    63.00000  120.00000
   54    57    83    60.00000  119.52600
   54    58    59    35.00000  113.00000
   57    63    68    63.00000  120.00000
   57    63    69    60.00000  119.52600
   57    83    82    65.00000  117.02400
   57    83    84    75.00000  123.78400
   63    68    72    70.00000  120.00000
   63    69    70    75.00000  123.78400
   63    69    74    65.00000  117.02400
   68    48    52    63.00000  120.00000
   68    72    73    35.00000  113.00000
   69    63    68    60.00000  119.52600
   69    74    75    40.00000  117.72500
   69    74    82    65.00000  118.96000
   74    69    70    80.00000  123.72100
   74    82    83    65.00000  118.96000
   74    82    85    80.00000  120.01400
   82    74    75    35.00000  120.00000
   82    83    84    80.00000  123.72100
   82    85    86    90.00000  111.18400
   83    57    63    60.00000  119.52600
   85    82    83    85.00000  116.28000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   58    54    57    70.00000  120.00000
   55    40    42    90.00000  108.56700
   55    52    54    70.00000  120.00000
   49    42    43    35.00000  109.50000
   49    42    48    90.00000  112.51600
   64    56    62    70.00000  120.00000
   60    53    56    60.00000  119.52600
   60    66    71    90.00000  114.22900
   66    60    61    83.00000  123.40000
   66    71    76    80.00000  120.01400
   66    71    78    85.00000  112.85300
   71    76    77    35.00000  120.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    51    53    60.00000  120.93500
   78    71    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    41    90.00000  112.51600
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   0.20000  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    55   0.56750  1.0 1.0
   29    33    40    55  -0.07550 -1.0 2.0
   29    33    40    55   0.20000  1.0 3.0
   33    38    41    46   0.04150 -1.0 2.0
   33    38    41    62   0.04150 -1.0 2.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    48  -0.03700  1.0 1.0
   33    40    42    48   0.37200 -1.0 2.0
   33    40    42    48  -0.47300  1.0 3.0
   33    40    42    49   0.86500  1.0 1.0
   33    40    42    49  -0.17500 -1.0 2.0
   33    40    42    49   0.20800  1.0 3.0
   33    40    55    52  -0.32850  1.0 1.0
   33    40    55    52  -0.35800 -1.0 2.0
   33    40    55    52   0.33950  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    67   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    55   0.23400  1.0 3.0
   38    33    40    67   0.62750  1.0 1.0
   38    33    40    67  -0.30950 -1.0 2.0
   38    33    40    67   0.27300  1.0 3.0
   38    33    40    42   0.56750  1.0 1.0
   38    33    40    42  -0.07550 -1.0 2.0
   38    33    40    42   0.20000  1.0 3.0
   38    33    40    55   0.62750  1.0 1.0
   38    33    40    55  -0.30950 -1.0 2.0
   38    33    40    55   0.27300  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    51   3.62500 -1.0 2.0
   38    41    62    56   3.62500 -1.0 2.0
   38    41   -62    67   3.62500 -1.0 2.0
   39    38    41    46   0.00000  1.0 1.0
   39    38    41    62   0.00000  1.0 1.0
   39    38    44    45   0.19450  1.0 3.0
   41    38    44    45   0.31900  1.0 1.0
   41    38    44    45  -0.11800 -1.0 2.0
   41    38    44    45   0.38750  1.0 3.0
   41    46    51    53   3.62500 -1.0 2.0
   41    46    51    76   3.62500 -1.0 2.0
   41    62    67    40   1.63200 -1.0 2.0
   46    41    62    56   3.62500 -1.0 2.0
   46    41    62    67   3.62500 -1.0 2.0
   46    51   -53    56   3.62500 -1.0 2.0
   46    51    53    60   3.62500 -1.0 2.0
   46    51    76    71   0.15800  1.0 1.0
   46    51    76    71   1.85350 -1.0 2.0
   46    51    76    71  -0.48700  1.0 3.0
   46    51    76    77   0.56550  1.0 3.0
   47    46    51    53   3.62500 -1.0 2.0
   47    46    51    76   3.62500 -1.0 2.0
   51    53    56    62   3.62500 -1.0 2.0
   51    53    56    64   3.62500 -1.0 2.0
   51    53    60    61   1.05000 -1.0 2.0
   51    53    60    66   0.98750 -1.0 2.0
   53    51    76    71   0.15800  1.0 1.0
   53    51    76    71   1.85350 -1.0 2.0
   53    51    76    71  -0.48700  1.0 3.0
   53    51    76    77   0.56550  1.0 3.0
   53    56   -62    41   3.62500 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    64    65   0.84100 -1.0 2.0
   53    60   -66    71   2.00000 -1.0 2.0
   56    53    60    61   1.05000 -1.0 2.0
   56    53    60    66   0.98750 -1.0 2.0
   56    62    67    40   1.63200 -1.0 2.0
   62    41    46    47   3.62500 -1.0 2.0
   62    41   -46    51   3.62500 -1.0 2.0
   62    56    64    65   0.84100 -1.0 2.0
   62    67   -40    33  -0.32850  1.0 1.0
   62    67   -40    33  -0.35800 -1.0 2.0
   62    67   -40    33   0.33950  1.0 3.0
   62    67    40    42  -0.32850  1.0 1.0
   62    67    40    42  -0.35800 -1.0 2.0
   62    67    40    42   0.33950  1.0 3.0
   62    67    40    55  -0.25600  1.0 1.0
   62    67    40    55  -0.40050 -1.0 2.0
   62    67    40    55   0.34700  1.0 3.0
   67    40    42    43   0.23400  1.0 3.0
   67    40    42    48  -0.64350  1.0 1.0
   67    40    42    48  -0.04200 -1.0 2.0
   67    40    42    48   0.19800  1.0 3.0
   67    40    42    49   3.69350  1.0 1.0
   67    40    42    49  -1.82950 -1.0 2.0
   67    40    55    52  -0.25600  1.0 1.0
   67    40    55    52  -0.40050 -1.0 2.0
   67    40    55    52   0.34700  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41  -0.03700  1.0 1.0
   40    33   -38    41   0.37200 -1.0 2.0
   40    33   -38    41  -0.47300  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    42   -48    52   0.04150 -1.0 2.0
   40    42    48    68   0.04150 -1.0 2.0
   40    42    49    50  -0.11600  1.0 1.0
   40    42    49    50  -0.09450 -1.0 2.0
   40    42    49    50   0.21250  1.0 3.0
   42    40   -55    52  -0.32850  1.0 1.0
   42    40   -55    52  -0.35800 -1.0 2.0
   42    40   -55    52   0.33950  1.0 3.0
   42    48    52    54   3.62500 -1.0 2.0
   42    48   -52    55   3.62500 -1.0 2.0
   42    48    68    63   3.62500 -1.0 2.0
   42    48    68    72   3.62500 -1.0 2.0
   43    42    48    52   0.00000  1.0 1.0
   43    42    48    68   0.00000  1.0 1.0
   43    42    49    50   0.19450  1.0 3.0
   48    42    49    50   0.31900  1.0 1.0
   48    42    49    50  -0.11800 -1.0 2.0
   48    42    49    50   0.38750  1.0 3.0
   48    52    54    57   3.62500 -1.0 2.0
   48    52    54    58   3.62500 -1.0 2.0
   48    52   -55    40   1.63200 -1.0 2.0
   48    68    72    73   0.84100 -1.0 2.0
   52    48    68    63   3.62500 -1.0 2.0
   52    48    68    72   3.62500 -1.0 2.0
   52    54   -57    63   3.62500 -1.0 2.0
   52    54    57    83   3.62500 -1.0 2.0
   52    54    58    59   0.84100 -1.0 2.0
   54    52    55    40   1.63200 -1.0 2.0
   54    57    63    68   3.62500 -1.0 2.0
   54    57    63    69   3.62500 -1.0 2.0
   54    57    83    82  -0.11500  1.0 1.0
   54    57    83    82   1.10450 -1.0 2.0
   54    57    83    82  -0.48050  1.0 3.0
   54    57    83    84   1.05000 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    63   -68    48   3.62500 -1.0 2.0
   57    63    68    72   3.62500 -1.0 2.0
   57    63    69    70   1.05000 -1.0 2.0
   57    63    69    74  -0.11500  1.0 1.0
   57    63    69    74   1.10450 -1.0 2.0
   57    63    69    74  -0.48050  1.0 3.0
   63    57    83    82  -0.11500  1.0 1.0
   63    57    83    82   1.10450 -1.0 2.0
   63    57    83    82  -0.48050  1.0 3.0
   63    57    83    84   1.05000 -1.0 2.0
   63    68    72    73   0.84100 -1.0 2.0
   63    69    74    75   1.64500 -1.0 2.0
   63    69   -74    82  -1.65800  1.0 1.0
   63    69   -74    82   0.77650 -1.0 2.0
   68    48   -52    54   3.62500 -1.0 2.0
   68    48    52    55   3.62500 -1.0 2.0
   68    63    69    70   1.05000 -1.0 2.0
   68    63    69    74  -0.11500  1.0 1.0
   68    63    69    74   1.10450 -1.0 2.0
   68    63    69    74  -0.48050  1.0 3.0
   69    63    68    48   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   69    74    82    83   7.00000 -1.0 2.0
   69    74    82    85   7.00000 -1.0 2.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    82   1.00000 -1.0 2.0
   74    82   -83    57  -1.65800  1.0 1.0
   74    82   -83    57   0.77650 -1.0 2.0
   74    82    83    84   1.00000 -1.0 2.0
   74    82    85    86  -2.26850  1.0 1.0
   74    82    85    86   3.39050 -1.0 2.0
   75    74    82    83   7.00000 -1.0 2.0
   75    74    82    85   7.00000 -1.0 2.0
   82    85    86    87   0.08050  1.0 3.0
   82    85    86    88   0.08050  1.0 3.0
   82    85    86    89   0.08050  1.0 3.0
   83    57    63    68   3.62500 -1.0 2.0
   83    57   -63    69   3.62500 -1.0 2.0
   83    82    85    86   0.15100 -1.0 2.0
   85    82    83    57   1.50000 -1.0 2.0
   85    82    83    84  -0.11900  1.0 1.0
   85    82    83    84   0.76850 -1.0 2.0
   85    82    83    84   0.14100  1.0 3.0
   58    54    57    63   3.62500 -1.0 2.0
   58    54    57    83   3.62500 -1.0 2.0
   55    40    42    43   0.23400  1.0 3.0
   55    40   -42    48  -0.64350  1.0 1.0
   55    40   -42    48  -0.04200 -1.0 2.0
   55    40   -42    48   0.19800  1.0 3.0
   55    40    42    49   3.69350  1.0 1.0
   55    40    42    49  -1.82950 -1.0 2.0
   55    52    54    57   3.62500 -1.0 2.0
   55    52    54    58   3.62500 -1.0 2.0
   49    42    48    52   0.14300 -1.0 2.0
   49    42    48    52   0.00300  1.0 3.0
   49    42    48    68   0.14300 -1.0 2.0
   49    42    48    68   0.00300  1.0 3.0
   64    56    62    41   3.62500 -1.0 2.0
   64    56    62    67   3.62500 -1.0 2.0
   60    53    56    62   3.62500 -1.0 2.0
   60    53    56    64   3.62500 -1.0 2.0
   60    66    71    76  -1.93650  1.0 1.0
   60    66    71    76   2.17750 -1.0 2.0
   60    66    71    76  -0.40250  1.0 3.0
   60    66    71    78   2.00000 -1.0 2.0
   61    60    66    71   3.00000 -1.0 2.0
   66    71   -76    51   7.00000 -1.0 2.0
   66    71    76    77   7.00000 -1.0 2.0
   66    71    78    79   0.00000  1.0 1.0
   66    71    78    80   0.00000  1.0 1.0
   66    71    78    81   0.00000  1.0 1.0
   76    51    53    56   3.62500 -1.0 2.0
   76    51   -53    60   3.62500 -1.0 2.0
   76    71    78    79   0.00000  1.0 1.0
   76    71    78    80   0.00000  1.0 1.0
   76    71    78    81   0.00000  1.0 1.0
   78    71    76    51   7.00000 -1.0 2.0
   78    71    76    77   7.00000 -1.0 2.0
   44    38    41    46   0.14300 -1.0 2.0
   44    38    41    46   0.00300  1.0 3.0
   44    38    41    62   0.14300 -1.0 2.0
   44    38    41    62   0.00300  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
   36    30    35    37  10.50000 -1.0 2.0
   46    62    41    38   4.00000 -1.0 2.0
   51    47    46    41   1.10000 -1.0 2.0
   53    76    51    46   4.00000 -1.0 2.0
   56    60    53    51   4.00000 -1.0 2.0
   62    64    56    53   4.00000 -1.0 2.0
   56    67    62    41   4.00000 -1.0 2.0
   52    68    48    42   4.00000 -1.0 2.0
   54    55    52    48   4.00000 -1.0 2.0
   57    58    54    52   4.00000 -1.0 2.0
   63    83    57    54   4.00000 -1.0 2.0
   68    69    63    57   4.00000 -1.0 2.0
   63    72    68    48   4.00000 -1.0 2.0
   63    74    69    70  10.50000 -1.0 2.0
   69    75    74    82   1.10000 -1.0 2.0
   83    85    82    74   1.10000 -1.0 2.0
   57    82    83    84  10.50000 -1.0 2.0
   53    66    60    61  10.50000 -1.0 2.0
   66    78    71    76   1.10000 -1.0 2.0
   51    77    76    71   1.10000 -1.0 2.0
END
