* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    171    249     479
    1     0 S   NP   _N1_     1    29.62531    93.25208   -26.48522
    2     1 S   H    _HN1     2     1.02828    26.49803  -143.06033
    3     1 S   H    _H1_     3     1.02789   126.65471   -92.44491
    4     1 S   H    _H2_     4     1.02948    82.52267    14.93043
    5     1 S   CT   _CA1     5     1.50113   111.82078   123.97980
    6     5 S   HC   _HA1     6     1.09573   105.17964    87.72345
    7     5 S   CO3  _C1_     7     1.53772   112.50327   -32.50214
    8     7 S   O2Z  _O11     8     1.26372   115.00740   -41.97882
    9     7 S   O2Z  _O12     9     1.26241   114.94345   137.13551
   10     5 S   CT   _CB1    10     1.53069   107.42099  -154.29063
   11    10 S   HC   HB11    11     1.09841   109.34309   -49.65916
   12    10 S   HC   HB12    12     1.09812   110.46076    66.93970
   13    10 S   CT   _CG1    13     1.53009   112.62591  -170.62114
   14    13 S   HC   HG11    14     1.09572   110.70773   -66.89852
   15    13 S   HC   HG12    15     1.09672   109.71937    52.35638
   16    13 S   C    _CD1    16     1.51791   112.07854   172.82695
   17    16 S   O    _OE1    17     1.22726   123.15809    10.74514
   18    16 S   N    _N2_    18     1.38616   111.74115  -169.39943
   19    18 S   H    _HN2    19     1.01574   118.93179     0.82709
   20    18 S   CT1  _CA2    20     1.46139   123.45761   176.20940
   21    20 S   HC   _HA2    21     1.09698   109.37086     3.13375
   22    20 S   C    _C2_    22     1.53584   108.90778  -112.23762
   23    22 S   O    _O2_    23     1.23062   122.28339  -149.50489
   24    20 S   CT   _CB2    32     1.53185   111.60987   125.14654
   25    24 S   HC   HB21    33     1.09577   110.62663    53.06861
   26    24 S   HC   HB22    34     1.09123   109.58007   171.87153
   27    22 S   N    _N3_    24     1.38240   113.72247    37.91905
   28    27 S   H    _HN3    25     1.01561   119.55567    -2.83048
   29    24 S   S    _SG2    35     1.82559   111.41041   -67.83081
   30    27 S   CT   _CA3    26     1.45244   123.29347   177.00651
   31    30 S   HC   HA31    27     1.09544   107.61973   -62.72553
   32    30 S   HC   HA32    28     1.09551   107.89463    53.69838
   33    29 S   CT   _C20    36     1.85026    99.81290  -169.91989
   34    33 S   HC   _H6_    37     1.09378   106.17093   -34.35675
   35    30 S   CO3  _C3_    29     1.52982   113.94781   175.62874
   36    35 S   O2Z  _O31    30     1.26399   116.05421     1.52380
   37    35 S   O2Z  _O32    31     1.26417   114.45627  -178.49611
   38    33 S   CM   _C21    38     1.53538   108.02562  -152.84357
   39    33 S   C3T  _C16    50     1.51373   107.87483    81.90894
   40    39 S   HC   _H5_    51     1.08787   111.70314    47.23313
   41    38 S   CMA  _C22    39     1.36791   122.88191   101.46303
   42    41 S   OM   _O36    40     1.26954   125.51587   177.65774
   43    38 S   CT   _C24    46     1.52042   115.09026   -79.63488
   44    43 S   HC   _H27    47     1.09460   110.31745   -68.23432
   45    43 S   HC   _H28    48     1.09417   113.45751   171.54381
   46    43 S   HC   _H29    49     1.09460   110.80463    51.94076
   47    39 S   C3T  _C15    52     1.51826   120.19001   -97.14045
   48    47 S   HC   _H4_    53     1.08685   117.37718    -7.38302
   49    41 S   OS   _O37    41     1.41904   111.86767    -0.75069
   50    39 S   C3T  _C17    54     1.52474   122.99639  -168.76898
   51    47 S   CO4  _C14    63     1.47974   119.75465   134.79097
   52    51 S   O    _O35    64     1.22229   121.98343   137.10747
   53    49 S   CT   _C23    42     1.42742   113.54051  -134.92885
   54    53 S   HC   _H24    43     1.09403   107.75274   170.70441
   55    53 S   HC   _H25    44     1.09546   111.11416    52.51814
   56    53 S   HC   _H26    45     1.09476   111.04067   -71.32645
   57    50 S   CT   _C18    55     1.50845   120.35637     2.72290
   58    57 S   HC   _H18    56     1.09482   110.37470   -81.32697
   59    57 S   HC   _H19    57     1.09529   110.10528   159.40364
   60    57 S   HC   _H20    58     1.09441   112.71449    39.66211
   61    50 S   CT   _C19    59     1.50934   116.82387  -141.23431
   62    61 S   HC   _H21    60     1.09514   110.19341    90.28260
   63    61 S   HC   _H22    61     1.09516   112.46160   -29.60515
   64    61 S   HC   _H23    62     1.09494   110.32275  -150.22414
   65    51 S   OS   _O34    65     1.36061   111.15929   -45.29705
   66    65 S   CT   _C11    66     1.43457   116.74703  -178.16240
   67    66 S   HC   _H3_    67     1.09689   110.62318   -42.50559
   68    66 S   CM   _C10    68     1.50548   108.19744  -163.71485
   69    68 S   CM   _C9_    69     1.34071   114.66032  -116.06986
   70    68 S   CT   _C25    89     1.49376   118.57693    63.71260
   71    70 S   HC   _H30    90     1.09482   110.40769   -59.35487
   72    70 S   HC   _H31    91     1.09328   112.60886  -179.34329
   73    70 S   HC   _H32    92     1.09461   110.16291    60.32844
   74    69 S   CO4  _C13    70     1.47686   105.55895    -0.49059
   75    74 S   O    _O33    71     1.22248   123.68974   179.78511
   76    69 S   CT   _C8_    75     1.48919   131.64956  -178.15136
   77    76 S   HC   _H14    76     1.09445   109.37884   135.46702
   78    76 S   HC   _H15    77     1.09619   110.37357    20.77696
   79    66 S   CT   _C12    72     1.52572   110.77379    81.93238
   80    79 S   HC   _H16    73     1.09331   113.22088    -5.10515
   81    79 S   HC   _H17    74     1.09430   111.05404  -130.25915
   82    76 S   CM   _C7_    78     1.50037   112.00903   -99.43910
   83    82 S   HC   _H13    79     1.08923   115.26485    67.11243
   84    82 S   CM   _C6_    80     1.34204   127.76179  -114.14258
   85    84 S   HC   _H12    81     1.08950   117.10571  -179.48111
   86    84 S   CT   _C5_    82     1.50010   127.65421     1.65114
   87    86 S   HC   _H10    83     1.09330   112.26804     8.65885
   88    86 S   HC   _H11    84     1.09546   108.55471   125.78074
   89    86 S   CT   _C4_    85     1.52058   111.22737  -114.09057
   90    89 S   HC   _H7_    86     1.09536   111.27554   -58.89512
   91    89 S   HC   _H8_    87     1.09473   110.18974  -178.55951
   92    89 S   HC   _H9_    88     1.09527   111.14105    61.74669
  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   9   5   4   3
  17   7   2   1   1  12  17   6  10   3   4   2   1   1  14   6
   4  11   8   2   3   2   1   1   7   3   2   1   3   2   1   1
   9  13   7  14  15   6   2   1   1   8   4   8   4   3   2   1
   1   7   3   8   4   6   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    43    44    45    46    39    40    47    48    50    57    61    51  
   38    41    43    39    40    47    50  
   36    37  
   37  
    0  
   41    42    49    53    43    44    45    46    39    40    47    50  
   40    47    48    50    57    58    59    60    61    62    63    64    51    52    65    41    43  
   47    48    50    57    61    51  
   42    49    53    54    55    56    43    44    45    46  
   49    53    43  
   44    45    46    49  
   45    46  
   46  
    0  
   48    50    57    58    59    60    61    62    63    64    51    52    65    66  
   50    57    61    51    52    65  
   53    54    55    56  
   57    58    59    60    61    62    63    64    51    52    65  
   52    65    66    67    68    79    57    61  
   65    66  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    74    79    80    81    70  
   67    68    69    74    75    79    80    81    76    70    71    72    73  
   68    69    74    79    80    81    70  
   69    74    75    79    80    81    76    77    78    82    70    71    72    73  
   74    75    79    80    81    76    77    78    82    83    84    70    71    72    73  
   71    72    73    74    76    79  
   72    73  
   73  
    0  
   75    79    80    81    76    77    78    82  
   79    80    81    76  
   77    78    82    83    84    85    86    79  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86    87    88    89    90    91    92  
   86    87    88    89  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   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   317.000  1.510
   33    39   275.000  1.510
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.088
   39    47   260.000  1.509
   39    50   260.000  1.509
   47    48   340.000  1.088
   47    50   260.000  1.509
   47    51   290.000  1.496
   50    57   275.000  1.510
   50    61   275.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    52   570.000  1.229
   51    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    79   268.000  1.529
   68    69   549.000  1.340
   68    70   317.000  1.510
   69    74   320.000  1.462
   69    76   317.000  1.510
   74    75   570.000  1.229
   74    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.510
   82    83   340.000  1.080
   82    84   549.000  1.340
   84    85   340.000  1.080
   84    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    40.00000  115.04500
   33    39    47    60.00000  120.94000
   33    39    50    60.00000  120.94000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    49    53    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    45.00000  109.38400
   39    33    38    70.00000  112.02700
   39    47    48    37.50000  117.20000
   39    47    50    10.00000   60.00500
   39    47    51    65.00000  117.18000
   39    50    47    10.00000   60.00500
   39    50    57    60.00000  120.94000
   39    50    61    60.00000  120.94000
   47    39    40    37.50000  117.20000
   47    50    57    60.00000  120.94000
   47    50    61    60.00000  120.94000
   47    51    52    75.00000  121.36600
   47    51    65    81.00000  111.40000
   50    39    40    37.50000  117.20000
   50    39    47    10.00000   60.00500
   50    47    48    37.50000  117.20000
   50    57    58    45.00000  109.38400
   50    57    59    45.00000  109.38400
   50    57    60    45.00000  109.38400
   50    61    62    45.00000  109.38400
   50    61    63    45.00000  109.38400
   50    61    64    45.00000  109.38400
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    50    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    47    48    40.00000  116.18000
   51    47    50    65.00000  117.18000
   51    65    66    83.00000  116.90000
   65    51    52    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    85.00000  110.90400
   65    66    79    50.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    70    65.00000  117.92700
   66    79    74    63.00000  111.10000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   68    66    67    35.00000  109.50000
   68    69    74    65.00000  118.96000
   68    69    76    70.00000  124.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   69    74    75    80.00000  123.72100
   69    74    79    65.00000  118.62400
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    82    70.00000  110.12100
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   79    66    67    37.50000  110.70000
   79    66    68    70.00000  112.02700
   79    74    75    80.00000  120.40000
   81    79    80    33.00000  107.80000
   76    69    74    65.00000  116.34900
   76    82    83    35.00000  117.00000
   76    82    84    70.00000  124.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   82    84    85    35.00000  120.00000
   82    84    86    70.00000  124.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    70.00000  112.02700
   86    84    85    35.00000  117.00000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   70    68    69    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    38    43    46   0.34800  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39   -47    50   0.07850  1.0 1.0
   33    39   -47    50  -0.03950 -1.0 2.0
   33    39   -47    50   0.67350  1.0 3.0
   33    39    47    51  -0.95700  1.0 1.0
   33    39    47    51  -0.18200 -1.0 2.0
   33    39    47    51   0.29450  1.0 3.0
   33    39   -50    47   0.07850  1.0 1.0
   33    39   -50    47  -0.03950 -1.0 2.0
   33    39   -50    47   0.67350  1.0 3.0
   33    39    50    57   0.56750  1.0 1.0
   33    39    50    57  -0.07550 -1.0 2.0
   33    39    50    57   0.20000  1.0 3.0
   33    39    50    61   0.56750  1.0 1.0
   33    39    50    61  -0.07550 -1.0 2.0
   33    39    50    61   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    47   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    47   0.34400  1.0 1.0
   38    33    39    47   0.09450 -1.0 2.0
   38    33    39    47   0.11100  1.0 3.0
   38    33    39    50   0.34400  1.0 1.0
   38    33    39    50   0.09450 -1.0 2.0
   38    33    39    50   0.11100  1.0 3.0
   38    41    49    53  -2.26850  1.0 1.0
   38    41    49    53   3.39050 -1.0 2.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    45   0.00000  1.0 1.0
   41    38    43    46   0.00000  1.0 1.0
   41    49    53    54   0.08050  1.0 3.0
   41    49    53    55   0.08050  1.0 3.0
   41    49    53    56   0.08050  1.0 3.0
   42    41    49    53   2.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    49   7.00000 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    43   0.46850  1.0 1.0
   39    33    38    43   0.08550 -1.0 2.0
   39    33    38    43   0.09800  1.0 3.0
   39    47   -50    57   0.07850  1.0 1.0
   39    47   -50    57  -0.03950 -1.0 2.0
   39    47   -50    57   0.67350  1.0 3.0
   39    47   -50    61   0.07850  1.0 1.0
   39    47   -50    61  -0.03950 -1.0 2.0
   39    47   -50    61   0.67350  1.0 3.0
   39    47    51    52   0.30150 -1.0 2.0
   39    47    51    65   0.36750  1.0 3.0
   39    50    57    58   0.15000  1.0 3.0
   39    50    57    59   0.15000  1.0 3.0
   39    50    57    60   0.15000  1.0 3.0
   39    50    61    62   0.15000  1.0 3.0
   39    50    61    63   0.15000  1.0 3.0
   39    50    61    64   0.15000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39   -47    50   0.15000  1.0 3.0
   40    39    47    51   0.15000  1.0 3.0
   40    39   -50    47   0.15000  1.0 3.0
   40    39    50    57   0.15000  1.0 3.0
   40    39    50    61   0.15000  1.0 3.0
   47    39   -50    57   0.07850  1.0 1.0
   47    39   -50    57  -0.03950 -1.0 2.0
   47    39   -50    57   0.67350  1.0 3.0
   47    39   -50    61   0.07850  1.0 1.0
   47    39   -50    61  -0.03950 -1.0 2.0
   47    39   -50    61   0.67350  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.15000  1.0 3.0
   47    50    61    62   0.15000  1.0 3.0
   47    50    61    63   0.15000  1.0 3.0
   47    50    61    64   0.15000  1.0 3.0
   47    51    65    66   1.63150  1.0 1.0
   47    51    65    66   2.92000 -1.0 2.0
   48    47   -50    39   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   48    47    50    61   0.15000  1.0 3.0
   48    47    51    52   0.50000  1.0 3.0
   48    47    51    65   0.00000  1.0 1.0
   50    39   -47    48   0.15000  1.0 3.0
   50    39   -47    51  -0.95700  1.0 1.0
   50    39   -47    51  -0.18200 -1.0 2.0
   50    39   -47    51   0.29450  1.0 3.0
   50    47    51    52   0.30150 -1.0 2.0
   50    47    51    65   0.36750  1.0 3.0
   57    50    61    62   0.15000  1.0 3.0
   57    50    61    63   0.15000  1.0 3.0
   57    50    61    64   0.15000  1.0 3.0
   61    50    57    58   0.15000  1.0 3.0
   61    50    57    59   0.15000  1.0 3.0
   61    50    57    60   0.15000  1.0 3.0
   51    47   -50    39  -0.95700  1.0 1.0
   51    47   -50    39  -0.18200 -1.0 2.0
   51    47   -50    39   0.29450  1.0 3.0
   51    47    50    57  -0.95700  1.0 1.0
   51    47    50    57  -0.18200 -1.0 2.0
   51    47    50    57   0.29450  1.0 3.0
   51    47    50    61  -0.95700  1.0 1.0
   51    47    50    61  -0.18200 -1.0 2.0
   51    47    50    61   0.29450  1.0 3.0
   51    65    66    67   0.08050  1.0 3.0
   51    65    66    68  -0.82050  1.0 1.0
   51    65    66    68   0.00600 -1.0 2.0
   51    65    66    68   0.04400  1.0 3.0
   51    65    66    79  -0.25900  1.0 1.0
   51    65    66    79  -0.47000 -1.0 2.0
   51    65    66    79   0.11750  1.0 3.0
   52    51    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.39000  1.0 1.0
   65    66    68    69  -0.05800 -1.0 2.0
   65    66    68    69  -0.55150  1.0 3.0
   65    66    68    70   0.09700  1.0 1.0
   65    66    68    70   0.15600 -1.0 2.0
   65    66    68    70  -0.50800  1.0 3.0
   65    66    79    74  -0.09450  1.0 1.0
   65    66    79    74  -1.12950 -1.0 2.0
   65    66    79    74   0.54000  1.0 3.0
   65    66    79    80   0.23400  1.0 3.0
   65    66    79    81   0.23400  1.0 3.0
   66    68   -69    74   7.00000 -1.0 2.0
   66    68    69    76   7.00000 -1.0 2.0
   66    68    70    71   0.34800  1.0 3.0
   66    68    70    72   0.34800  1.0 3.0
   66    68    70    73   0.34800  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.34800  1.0 3.0
   67    66    79    74  -0.11250  1.0 3.0
   67    66    79    80   0.15000  1.0 3.0
   67    66    79    81   0.15000  1.0 3.0
   68    66   -79    74  -0.98800  1.0 1.0
   68    66   -79    74   0.48800 -1.0 2.0
   68    66   -79    74   0.76800  1.0 3.0
   68    66    79    80   0.15000  1.0 3.0
   68    66    79    81   0.15000  1.0 3.0
   68    69    74    75   1.00000 -1.0 2.0
   68    69   -74    79  -0.33500  1.0 1.0
   68    69   -74    79   1.06600 -1.0 2.0
   68    69   -74    79  -0.14000  1.0 3.0
   68    69    76    77   0.00000  1.0 1.0
   68    69    76    78   0.00000  1.0 1.0
   68    69    76    82  -0.28300  1.0 1.0
   68    69    76    82   0.26700 -1.0 2.0
   68    69    76    82  -0.63300  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.00000  1.0 1.0
   69    74   -79    66   0.65300  1.0 1.0
   69    74   -79    66  -0.03850 -1.0 2.0
   69    74   -79    66   0.33900  1.0 3.0
   69    74    79    80   0.00000  1.0 1.0
   69    74    79    81   0.00000  1.0 1.0
   69    76    82    83   0.00000  1.0 1.0
   69    76    82    84  -0.28300  1.0 1.0
   69    76    82    84   0.26700 -1.0 2.0
   69    76    82    84  -0.63300  1.0 3.0
   74    69    76    77   0.15000  1.0 3.0
   74    69    76    78   0.15000  1.0 3.0
   74    69    76    82   0.09700  1.0 1.0
   74    69    76    82   0.15600 -1.0 2.0
   74    69    76    82  -0.50800  1.0 3.0
   75    74    79    66   0.30150 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    81   0.00000  1.0 1.0
   79    66   -68    69   0.09850  1.0 1.0
   79    66   -68    69   0.15250 -1.0 2.0
   79    66   -68    69  -0.50650  1.0 3.0
   79    66    68    70   0.46850  1.0 1.0
   79    66    68    70   0.08550 -1.0 2.0
   79    66    68    70   0.09800  1.0 3.0
   76    69    74    75  -0.64400  1.0 1.0
   76    69    74    75   0.26850 -1.0 2.0
   76    69    74    79   0.25700  1.0 1.0
   76    69    74    79   0.66200 -1.0 2.0
   76    69    74    79   0.04450  1.0 3.0
   76    82    84    85   7.00000 -1.0 2.0
   76    82    84    86   7.00000 -1.0 2.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.33100  1.0 3.0
   78    76    82    84   0.00000  1.0 1.0
   82    84    86    87   0.00000  1.0 1.0
   82    84    86    88   0.00000  1.0 1.0
   82    84    86    89   0.09850  1.0 1.0
   82    84    86    89   0.15250 -1.0 2.0
   82    84    86    89  -0.50650  1.0 3.0
   83    82    84    85   7.00000 -1.0 2.0
   83    82    84    86   7.00000 -1.0 2.0
   84    86    89    90   0.15000  1.0 3.0
   84    86    89    91   0.15000  1.0 3.0
   84    86    89    92   0.15000  1.0 3.0
   85    84    86    87   0.33100  1.0 3.0
   85    84    86    88   0.33100  1.0 3.0
   85    84    86    89   0.00000  1.0 1.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   70    68    69    74   7.00000 -1.0 2.0
   70    68    69    76   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   47    65    51    52  10.50000 -1.0 2.0
   66    70    68    69   1.10000 -1.0 2.0
   74    76    69    68   1.10000 -1.0 2.0
   69    79    74    75  10.50000 -1.0 2.0
   76    83    82    84  15.00000 -1.0 2.0
   86    85    84    82  15.00000 -1.0 2.0
END
