* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    236     425
    1     0 S   NP   _N1_     1    28.13989    96.41365   -22.95099
    2     1 S   H    _HN1     2     1.02955    76.21579    -4.69736
    3     1 S   H    _H1_     3     1.02833    34.17438   149.38565
    4     1 S   H    _H2_     4     1.02774   104.77378  -110.38847
    5     1 S   CT   _CA1     5     1.50146   137.06856   100.52274
    6     5 S   HC   _HA1     6     1.09574   105.20563    86.12440
    7     5 S   CO3  _C1_     7     1.53787   112.30092   -34.06190
    8     7 S   O2Z  _O11     8     1.26373   114.98915   -44.45614
    9     7 S   O2Z  _O12     9     1.26227   114.93541   134.52427
   10     5 S   CT   _CB1    10     1.53085   107.40154  -155.96486
   11    10 S   HC   HB11    11     1.09830   109.35233   -50.06329
   12    10 S   HC   HB12    12     1.09815   110.42826    66.49605
   13    10 S   CT   _CG1    13     1.53021   112.67878  -171.09618
   14    13 S   HC   HG11    14     1.09594   110.53282   -64.48374
   15    13 S   HC   HG12    15     1.09657   109.90119    54.73194
   16    13 S   C    _CD1    16     1.51842   112.23547   175.12516
   17    16 S   O    _OE1    17     1.22763   123.29037     2.23633
   18    16 S   N    _N2_    18     1.38498   111.76255  -177.83481
   19    18 S   H    _HN2    19     1.01622   119.21168     2.99892
   20    18 S   CT1  _CA2    20     1.45900   122.89296   178.84513
   21    20 S   HC   _HA2    21     1.09730   108.79384    27.69384
   22    20 S   C    _C2_    22     1.52900   107.06087   -89.56630
   23    22 S   O    _O2_    23     1.22992   123.02490   -28.71632
   24    20 S   CT   _CB2    32     1.53170   111.93980   150.78282
   25    24 S   HC   HB21    33     1.09458   109.55576    56.15199
   26    24 S   HC   HB22    34     1.09486   110.27064   174.58159
   27    22 S   N    _N3_    24     1.38506   112.62212   153.80447
   28    27 S   H    _HN3    25     1.01661   120.36365    -1.10464
   29    24 S   S    _SG2    35     1.82910   110.58085   -65.79010
   30    27 S   CT   _CA3    26     1.45354   122.39501   178.81584
   31    30 S   HC   HA31    27     1.09566   107.53056   -62.01045
   32    30 S   HC   HA32    28     1.09571   107.85942    54.28243
   33    29 S   CT   _C21    36     1.85851   101.45520   156.05215
   34    30 S   CO3  _C3_    29     1.52878   114.44651   176.26367
   35    34 S   O2Z  _O31    30     1.26318   116.11528    -0.69492
   36    34 S   O2Z  _O32    31     1.26459   114.38764   179.36480
   37    33 S   CM   _C20    37     1.51095   107.71856   179.10847
   38    33 S   CO4  _C22    70     1.53462   108.32470    57.48848
   39    38 S   O    _O36    71     1.23749   119.38416   -87.09945
   40    33 S   C    _C23    74     1.54649   109.79260   -65.73261
   41    40 S   O    _O37    75     1.23103   124.51106   -13.38793
   42    37 S   CMA  _C19    38     1.35286   126.75554  -118.95729
   43    42 S   OM   _O39    39     1.26528   127.32279  -172.91471
   44    37 S   OH   _O38    72     1.39714   114.15192    65.03554
   45    44 S   HO   _H15    73     0.97536   105.86936   178.28229
   46    40 S   N    _N4_    76     1.38112   114.26314   169.00316
   47    46 S   H    _H13    77     1.01472   122.63908    -0.58081
   48    46 S   H    _H14    78     1.01345   120.29062   179.05333
   49    42 S   CT   _C17    40     1.55765   119.93007     4.86804
   50    49 S   HC   _H3_    41     1.10526   104.67814  -100.84302
   51    49 S   CT   _C18    42     1.56201   114.47771   143.15101
   52    51 S   HC   _H11    43     1.09772   110.83963   170.46929
   53    51 S   HC   _H12    44     1.09512   108.39953    55.14859
   54    51 S   CA   _C6_    45     1.51501   112.34091   -68.42009
   55    54 S   CA   _C7_    46     1.39537   119.09014   -34.79397
   56    55 S   CA   _C8_    47     1.40509   119.26341   177.51210
   57    55 S   CO4  _C15    66     1.50078   119.59147    -4.53069
   58    57 S   O    _O35    67     1.23319   118.60924  -162.14056
   59    56 S   CA   _C9_    48     1.42692   122.73573    -1.94269
   60    56 S   OH   _O34    64     1.37854   119.84109   179.93439
   61    60 S   HO   _H10    65     0.97258   109.90053    -4.80277
   62    49 S   CT   _C16    68     1.55135   113.97116    18.06650
   63    62 S   OM   _O40    69     1.32544   109.43367  -161.68053
   64    59 S   CA   _C10    49     1.42970   118.85729     1.54028
   65    54 S   CA   _C5_    50     1.42332   121.40666   146.86264
   66    64 S   CA   _C11    55     1.44342   116.15471  -175.05946
   67    66 S   Cl   Cl1_    56     1.74030   124.20000   169.86566
   68    65 S   CT   _C4_    51     1.51606   117.27501    11.03985
   69    68 S   HC   _H4_    52     1.09339   110.80079   -96.00167
   70    68 S   HC   _H5_    53     1.09465   112.19599    25.39235
   71    68 S   HC   _H6_    54     1.09363   110.89448   139.75619
   72    66 S   CA   _C12    57     1.40024   122.85294    -4.96653
   73    72 S   HA   _H7_    58     1.08771   121.07254  -179.57296
   74    72 S   CA   _C13    59     1.37666   120.09513     1.61422
   75    74 S   HA   _H8_    60     1.08589   119.50952  -179.98022
   76    59 S   CA   _C14    61     1.42949   122.48133  -178.48509
   77    76 S   OH   _O33    62     1.37601   120.44599    -1.94541
   78    77 S   HO   _H9_    63     0.97143   109.68586   179.54115
  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   2   1   1  13  14   5   7   3  12   5   2   1   2   1   1
  11   7  11   5   4  14  12  12   6   2  13   3   1   1   1  12
   8   7   3   3   2   1   1   5   3   4   2   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    62    38    39    44    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    57    62    63    38    39    44    45    40    41    46    47    48  
   35    36  
   36  
    0  
   42    43    49    50    51    62    38    39    44    45    40    41    46  
   39    44    40    41    46    42    49    50    51    55    57    58    62    63  
   40    49    57    62    63  
   41    46    47    48    42    44    62  
   46    47    48  
   43    49    50    51    52    53    54    57    62    63    44    45  
   49    50    51    62    44  
   45    49  
    0  
   47    48  
   48  
    0  
   50    51    52    53    54    55    65    57    58    62    63  
   51    52    53    54    57    62    63  
   52    53    54    55    56    64    65    68    57    62    63  
   53    54    55    65    62  
   54    55    65    62  
   55    56    59    64    65    68    69    70    71    66    60    57    58    62  
   56    59    64    65    68    76    60    61    57    58    62    63  
   59    64    65    66    74    76    77    60    61    57    58    62  
   58    62    63    59    60    65  
   62    63  
   64    65    68    66    67    72    74    75    76    77    78    60    61  
   61    64    76  
    0  
   63  
    0  
   65    68    69    70    71    66    67    72    73    74    76    77  
   68    69    70    71    66    67    72    76  
   67    72    73    74    75    76    68  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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    38   317.000  1.522
   33    40   317.000  1.522
   37    42   465.000  1.376
   37    44   510.000  1.338
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   469.000  1.400
   54    65   469.000  1.400
   55    56   469.000  1.400
   55    57   310.000  1.470
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    64   469.000  1.400
   59    76   469.000  1.400
   64    65   469.000  1.400
   64    66   469.000  1.400
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   66    67   300.000  1.725
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   60    61   553.000  0.945
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   570.000  1.307
   62    38   317.000  1.522
   38    39   570.000  1.229
   44    45   553.000  0.945
   40    41   570.000  1.229
   40    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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    38    75.00000  110.18000
   29    33    40    70.00000  112.33000
   33    37    42    70.00000  124.00000
   33    37    44    90.00000  109.34000
   33    38    62    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    80.00000  120.40000
   33    40    46    70.00000  116.60000
   37    42    43    65.00000  137.10300
   37    42    49    65.00000  122.18000
   37    44    45    70.00000  107.45700
   42    49    50    45.00000  110.52000
   42    49    51    70.00000  112.02700
   42    49    62    70.00000  112.02700
   49    42    43    85.00000  112.85300
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    70.00000  112.17500
   49    62    57    63.00000  111.10000
   49    62    63    50.00000  109.50000
   49    62    38    63.00000  111.10000
   51    49    50    37.50000  110.70000
   51    54    55    70.00000  120.00000
   51    54    65    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    63.00000  120.00000
   54    55    57    60.00000  119.52600
   54    65    64    63.00000  120.00000
   54    65    68    70.00000  120.00000
   55    56    59    63.00000  120.00000
   55    56    60    70.00000  120.00000
   55    57    58    75.00000  123.78400
   55    57    62    65.00000  115.47100
   56    59    64    63.00000  120.00000
   56    59    76    63.00000  120.00000
   56    60    61    35.00000  113.00000
   59    64    65    63.00000  120.00000
   59    64    66    63.00000  120.00000
   59    76    74    63.00000  120.00000
   59    76    77    70.00000  120.00000
   64    65    68    70.00000  120.00000
   64    66    67    75.00000  120.00000
   64    66    72    63.00000  120.00000
   65    54    55    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   66    64    65    63.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    74    63.00000  120.00000
   72    66    67    75.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    59    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   60    56    59    70.00000  120.00000
   57    55    56    60.00000  119.52600
   57    62    63    90.00000  108.74100
   57    62    38    75.00000  107.99600
   62    49    50    37.50000  110.70000
   62    49    51    58.35000  112.70000
   62    57    58    80.00000  120.40000
   62    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    62    63    90.00000  108.74100
   44    37    42    80.00000  121.38400
   40    33    37    70.00000  115.00700
   40    33    38    70.00000  107.85200
   40    46    47    35.00000  119.80000
   40    46    48    35.00000  119.80000
   46    40    41    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    62   0.65300  1.0 1.0
   29    33    38    62  -0.03850 -1.0 2.0
   29    33    38    62   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    46   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    37    44    45   2.00000 -1.0 2.0
   33    40    46    47   2.45000 -1.0 2.0
   33    40    46    48   2.45000 -1.0 2.0
   37    33    38    62   0.65300  1.0 1.0
   37    33    38    62  -0.03850 -1.0 2.0
   37    33    38    62   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41   0.30150 -1.0 2.0
   37    33    40    46   0.00000  1.0 1.0
   37    42    49    50   0.00000  1.0 1.0
   37    42    49    51   0.09850  1.0 1.0
   37    42    49    51   0.15250 -1.0 2.0
   37    42    49    51  -0.50650  1.0 3.0
   37    42   -49    62   0.09850  1.0 1.0
   37    42   -49    62   0.15250 -1.0 2.0
   37    42   -49    62  -0.50650  1.0 3.0
   42    37    44    45  -0.66100  1.0 1.0
   42    37    44    45   1.20850 -1.0 2.0
   42    37    44    45  -0.36000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   42    49    51    54   0.21200  1.0 1.0
   42    49    51    54   0.16900 -1.0 2.0
   42    49    51    54  -1.15100  1.0 3.0
   42    49    62    57  -0.98800  1.0 1.0
   42    49    62    57   0.48800 -1.0 2.0
   42    49    62    57   0.76800  1.0 3.0
   42    49    62    63   0.61850  1.0 1.0
   42    49    62    63  -0.22750 -1.0 2.0
   42    49    62    63   0.15300  1.0 3.0
   42    49    62    38  -0.98800  1.0 1.0
   42    49    62    38   0.48800 -1.0 2.0
   42    49    62    38   0.76800  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.09700  1.0 1.0
   43    42    49    51   0.15600 -1.0 2.0
   43    42    49    51  -0.50800  1.0 3.0
   43    42    49    62   0.09700  1.0 1.0
   43    42    49    62   0.15600 -1.0 2.0
   43    42    49    62  -0.50800  1.0 3.0
   49    51    54    55   0.04150 -1.0 2.0
   49    51    54    65   0.04150 -1.0 2.0
   49    62   -38    33   0.60050  1.0 1.0
   49    62   -38    33   0.05600 -1.0 2.0
   49    62   -38    33   0.26150  1.0 3.0
   49    62    38    39   0.30150 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.43200  1.0 3.0
   50    49    62    57  -0.11250  1.0 3.0
   50    49    62    63   0.23400  1.0 3.0
   50    49    62    38  -0.11250  1.0 3.0
   51    49    62    57  -0.95700  1.0 1.0
   51    49    62    57  -0.18200 -1.0 2.0
   51    49    62    57   0.29450  1.0 3.0
   51    49    62    63   0.62750  1.0 1.0
   51    49    62    63  -0.30950 -1.0 2.0
   51    49    62    63   0.27300  1.0 3.0
   51    49    62    38  -0.95700  1.0 1.0
   51    49    62    38  -0.18200 -1.0 2.0
   51    49    62    38   0.29450  1.0 3.0
   51    54    55    56   3.62500 -1.0 2.0
   51    54   -55    57   3.62500 -1.0 2.0
   51    54    65    64   3.62500 -1.0 2.0
   51    54    65    68   3.62500 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    65   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    65   0.00000  1.0 1.0
   54    55    56    59   3.62500 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    57    58   1.05000 -1.0 2.0
   54    55    57    62   2.26350  1.0 1.0
   54    55    57    62   0.76750 -1.0 2.0
   54    55    57    62   0.22500  1.0 3.0
   54    65    68    69   0.00000  1.0 1.0
   54    65    68    70   0.00000  1.0 1.0
   54    65    68    71   0.00000  1.0 1.0
   55    54    65    64   3.62500 -1.0 2.0
   55    54    65    68   3.62500 -1.0 2.0
   55    56   -59    64   3.62500 -1.0 2.0
   55    56    59    76   3.62500 -1.0 2.0
   55    56    60    61   0.84100 -1.0 2.0
   55    57   -62    49   0.05850 -1.0 2.0
   55    57   -62    49   0.17250  1.0 3.0
   55    57    62    63   0.65300  1.0 1.0
   55    57    62    63  -0.03850 -1.0 2.0
   55    57    62    63   0.33900  1.0 3.0
   55    57    62    38   0.65300  1.0 1.0
   55    57    62    38  -0.03850 -1.0 2.0
   55    57    62    38   0.33900  1.0 3.0
   56    55    57    58   1.05000 -1.0 2.0
   56    55    57    62   2.26350  1.0 1.0
   56    55    57    62   0.76750 -1.0 2.0
   56    55    57    62   0.22500  1.0 3.0
   56    59    64    65   3.62500 -1.0 2.0
   56    59    64    66   3.62500 -1.0 2.0
   56    59    76    74   3.62500 -1.0 2.0
   56    59    76    77   3.62500 -1.0 2.0
   59    56    60    61   0.84100 -1.0 2.0
   59    64   -65    54   3.62500 -1.0 2.0
   59    64    65    68   3.62500 -1.0 2.0
   59    64    66    67   3.62500 -1.0 2.0
   59    64    66    72   3.62500 -1.0 2.0
   59    76    77    78   0.84100 -1.0 2.0
   64    59    76    74   3.62500 -1.0 2.0
   64    59    76    77   3.62500 -1.0 2.0
   64    65    68    69   0.00000  1.0 1.0
   64    65    68    70   0.00000  1.0 1.0
   64    65    68    71   0.00000  1.0 1.0
   64    66    72    73   3.62500 -1.0 2.0
   64    66   -72    74   3.62500 -1.0 2.0
   65    54   -55    56   3.62500 -1.0 2.0
   65    54    55    57   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    72   3.62500 -1.0 2.0
   66    64    65    54   3.62500 -1.0 2.0
   66    64    65    68   3.62500 -1.0 2.0
   66    72    74    75   3.62500 -1.0 2.0
   66    72    74    76   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    74   3.62500 -1.0 2.0
   72    74   -76    59   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    59   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    59    64    65   3.62500 -1.0 2.0
   76    59   -64    66   3.62500 -1.0 2.0
   60    56    59    64   3.62500 -1.0 2.0
   60    56    59    76   3.62500 -1.0 2.0
   57    55    56    59   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    62    38    33   0.65300  1.0 1.0
   57    62    38    33  -0.03850 -1.0 2.0
   57    62    38    33   0.33900  1.0 3.0
   57    62    38    39   0.30150 -1.0 2.0
   58    57    62    49   0.30150 -1.0 2.0
   58    57    62    63   0.30150 -1.0 2.0
   58    57    62    38   0.30150 -1.0 2.0
   62    49    51    52   0.15000  1.0 3.0
   62    49    51    53   0.15000  1.0 3.0
   62    49   -51    54  -0.03700  1.0 1.0
   62    49   -51    54   0.37200 -1.0 2.0
   62    49   -51    54  -0.47300  1.0 3.0
   63    62    38    33   0.55300  1.0 1.0
   63    62    38    33   1.25850 -1.0 2.0
   63    62    38    33  -0.23600  1.0 3.0
   63    62    38    39   0.30150 -1.0 2.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    46   0.00000  1.0 1.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    49   7.00000 -1.0 2.0
   40    33    37    42  -0.51250  1.0 1.0
   40    33    37    42  -0.88800 -1.0 2.0
   40    33    37    42   0.08850  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    62   0.65300  1.0 1.0
   40    33    38    62  -0.03850 -1.0 2.0
   40    33    38    62   0.33900  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   41    40    46    47   2.45000 -1.0 2.0
   41    40    46    48   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   49    43    42    37   1.10000 -1.0 2.0
   55    65    54    51   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   59    60    56    55   4.00000 -1.0 2.0
   64    76    59    56   4.00000 -1.0 2.0
   65    66    64    59   4.00000 -1.0 2.0
   64    68    65    54   4.00000 -1.0 2.0
   72    67    66    64   4.00000 -1.0 2.0
   74    73    72    66   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    59   4.00000 -1.0 2.0
   55    62    57    58  10.50000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
   33    46    40    41  10.50000 -1.0 2.0
   48    40    46    47   1.00000 -1.0 2.0
END
