* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    163    255     471
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02109    71.83683   -94.61564
    3     1 S   H    _H1_     3     1.02018   103.19963    11.02918
    4     1 S   H    _H2_     4     1.02070    41.74337   114.45593
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88696   179.08678
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.82624    98.03764   161.84120
   34    33 S   HC   _H3_    37     1.09462   106.81705    40.77244
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C7_    38     1.51070   109.00189   -80.02681
   39    38 S   HC   _H27    39     1.09149   114.95556   -63.03267
   40    33 S   CT   _C21    80     1.52637   109.72908   158.14398
   41    40 S   HC   _H46    81     1.09635   110.42609    63.65624
   42    40 S   HC   _H47    82     1.09587   111.18764  -177.39751
   43    40 S   HC   _H48    83     1.09636   112.17501   -56.06465
   44    38 S   CMA  _C8_    40     1.35607   127.02871   117.80279
   45    44 S   OM   _O20    41     1.26954   125.60089    -0.64710
   46    44 S   OS   _O24    42     1.42367   109.27598   179.74359
   47    46 S   CT   _C14    43     1.42651   115.95198   149.98872
   48    47 S   HC   _H36    44     1.09154   106.72410    39.97545
   49    47 S   CT   _C10    45     1.55127   107.48516   -78.66244
   50    49 S   HC   _H30    46     1.09396   111.70097   120.50246
   51    49 S   HC   _H31    47     1.09664   110.28409     0.27836
   52    49 S   CT   _C13    48     1.53805   104.77534  -118.10397
   53    52 S   HC   _H35    49     1.09439   111.79967   148.29237
   54    52 S   C3T  _C17    50     1.48780   102.85323    25.64088
   55    52 S   OS   _O23    67     1.43203   111.99080   -90.01647
   56    54 S   C3T  _C11    51     1.50944   124.82412   150.13091
   57    56 S   HC   _H32    52     1.08214   118.25160     7.53017
   58    56 S   HC   _H33    53     1.08130   119.30693   155.08016
   59    47 S   CT   _C16    55     1.57747   111.99366   165.13706
   60    54 S   O3T  _O22    54     1.43519   114.26625    83.07329
   61    59 S   CT   _C15    56     1.60271   110.61443  -159.82793
   62    59 S   CT   _C20    76     1.53443   112.65226   -31.73367
   63    62 S   HC   _H43    77     1.08687   109.49936  -179.96574
   64    62 S   HC   _H44    78     1.08545   109.49145    59.99715
   65    62 S   HC   _H45    79     1.08674   109.44006   -60.01100
   66    61 S   CT   _C9_    57     1.55214   111.39142  -172.53021
   67    66 S   HC   _H28    58     1.09317   112.14411    52.53782
   68    66 S   HC   _H29    59     1.09585   110.24019   -67.57677
   69    61 S   CT   _C19    72     1.55442   110.72822    68.14328
   70    69 S   HC   _H40    73     1.08029   108.48147   -58.25949
   71    69 S   HC   _H41    74     1.07992   108.49365  -178.18038
   72    69 S   HC   _H42    75     1.07972   108.52303    61.73289
   73    66 S   CO4  _C6_    60     1.51762   113.52739   172.18317
   74    73 S   O    _O21    61     1.22997   120.78135   147.78425
   75    73 S   CM   _C5_    62     1.48905   118.58853   -35.74610
   76    75 S   CM   _C4_    63     1.34011   118.66106     6.93690
   77    76 S   HC   _H26    64     1.08895   118.65550  -178.14924
   78    75 S   CT   _C18    68     1.49635   117.84641  -172.18834
   79    78 S   HC   _H37    69     1.08963   109.65443   -90.86311
   80    78 S   HC   _H38    70     1.08873   109.74063   148.95730
   81    78 S   HC   _H39    71     1.08943   109.69638    29.26384
   82    61 S   CT   _C12    65     1.56651   109.50084   -52.58529
   83    82 S   HC   _H34    66     1.09811   108.99298    77.96760
  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
  10   7   2   1   1   9   4   4   2   1   1   6   2  10  19   8
  12   6   5  13   6  14  11   6   3   2  17   2  18   6   2   1
   1  13   6   5   7   3   2   1   9   3   8   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    46    40    41    42    43  
   38    39    44    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    46    47    40    41    42    43  
   44    45    46    40  
   41    42    43    44  
   42    43  
   43  
    0  
   45    46    47    48    49    59  
   46    47  
   47    48    49    50    51    52    54    59    61    62  
   48    49    50    51    52    53    54    56    60    59    61    66    82    55    69    62    63    64    65  
   49    50    51    52    54    59    61    62  
   50    51    52    53    54    56    60    59    61    82    55    62  
   51    52    53    54    59    55  
   52    53    54    59    55  
   53    54    56    57    58    60    59    61    76    82    83    55    62  
   54    56    60    59    82    55  
   56    57    58    60    59    61    66    82    55    69    62    63    64    65  
   69    56    59    60    61    66    75    76    77    82    83  
   57    58    60    59    61    62  
   58    60    59  
   60    59  
   61    66    67    68    73    76    82    83    69    70    71    72    62    63    64    65    60  
   61    62  
   66    67    68    73    74    75    76    77    82    83    69    70    71    72    62    63    64    65  
   63    64    65    66    69    82  
   64    65  
   65  
    0  
   67    68    73    74    75    76    82    83    78    69    70    71    72  
   68    73    74    75    82    69  
   73    74    75    82    69  
   70    71    72    73    76    82    83  
   71    72    82  
   72    82  
   82  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    78    79    80    81  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.184000   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    44   465.000  1.376
   44    45   745.000  1.250
   44    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    60   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    60   335.000  1.432
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    82   268.000  1.529
   61    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   317.000  1.522
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    55   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    44    45    65.00000  137.10300
   38    44    46    80.00000  120.01400
   44    38    39    40.00000  120.50800
   44    46    47    90.00000  111.18400
   46    44    45    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    59    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    54    70.00000  112.37300
   47    59    61    58.35000  112.70000
   47    59    62    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.37300
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    56    60.00000  120.94000
   52    54    60    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    82    60.00000  109.50000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   54    59    61    70.00000  112.37300
   54    59    62    70.00000  112.37300
   58    56    57    35.00000  114.30000
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    50.00000  114.27700
   59    47    48    37.50000  110.70000
   59    47    49    58.35000  112.70000
   59    54    56    60.00000  120.94000
   59    54    60    80.00000  116.47100
   59    61    66    58.35000  112.70000
   59    61    82    58.35000  112.70000
   59    61    69    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    73    63.00000  111.10000
   61    82    76    70.00000  112.02700
   61    82    83    37.50000  110.70000
   61    82    55    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   66    73    74    80.00000  120.40000
   66    73    75    65.00000  118.62400
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    55    85.00000  110.90400
   82    61    66    58.35000  112.70000
   82    76    77    35.00000  117.00000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    82    83    35.00000  109.50000
   78    75    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
   69    61    66    58.35000  112.70000
   69    61    82    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    46    47  -2.26850  1.0 1.0
   38    44    46    47   3.39050 -1.0 2.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.08050  1.0 3.0
   44    46    47    49  -0.46850  1.0 1.0
   44    46    47    49   0.09300 -1.0 2.0
   44    46    47    49  -0.12850  1.0 3.0
   44    46    47    59  -0.46850  1.0 1.0
   44    46    47    59   0.09300 -1.0 2.0
   44    46    47    59  -0.12850  1.0 3.0
   45    44    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    52   0.62750  1.0 1.0
   46    47    49    52  -0.30950 -1.0 2.0
   46    47    49    52   0.27300  1.0 3.0
   46    47    59    54  -0.26800  1.0 1.0
   46    47    59    54   0.69150 -1.0 2.0
   46    47    59    54  -0.48750  1.0 3.0
   46    47    59    61   0.62750  1.0 1.0
   46    47    59    61  -0.30950 -1.0 2.0
   46    47    59    61   0.27300  1.0 3.0
   46    47    59    62   0.62750  1.0 1.0
   46    47    59    62  -0.30950 -1.0 2.0
   46    47    59    62   0.27300  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49   -52    54   0.47050  1.0 1.0
   47    49   -52    54   0.03900 -1.0 2.0
   47    49   -52    54   0.20100  1.0 3.0
   47    49    52    55   0.62750  1.0 1.0
   47    49    52    55  -0.30950 -1.0 2.0
   47    49    52    55   0.27300  1.0 3.0
   47    59    61    66   0.56750  1.0 1.0
   47    59    61    66  -0.07550 -1.0 2.0
   47    59    61    66   0.20000  1.0 3.0
   47    59    61    82   0.56750  1.0 1.0
   47    59    61    82  -0.07550 -1.0 2.0
   47    59    61    82   0.20000  1.0 3.0
   47    59    61    69   0.56750  1.0 1.0
   47    59    61    69  -0.07550 -1.0 2.0
   47    59    61    69   0.20000  1.0 3.0
   47    59    62    63   0.15000  1.0 3.0
   47    59    62    64   0.15000  1.0 3.0
   47    59    62    65   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    59    54   0.15000  1.0 3.0
   48    47    59    61   0.15000  1.0 3.0
   48    47    59    62   0.15000  1.0 3.0
   49    47   -59    54   0.47050  1.0 1.0
   49    47   -59    54   0.03900 -1.0 2.0
   49    47   -59    54   0.20100  1.0 3.0
   49    47    59    61   0.56750  1.0 1.0
   49    47    59    61  -0.07550 -1.0 2.0
   49    47    59    61   0.20000  1.0 3.0
   49    47    59    62   0.56750  1.0 1.0
   49    47    59    62  -0.07550 -1.0 2.0
   49    47    59    62   0.20000  1.0 3.0
   49    52    54    56   0.07850  1.0 1.0
   49    52    54    56  -0.03950 -1.0 2.0
   49    52    54    56   0.67350  1.0 3.0
   49    52    54    60   0.02550  1.0 1.0
   49    52    54    60  -0.02600 -1.0 2.0
   49    52    54    60   1.20400  1.0 3.0
   49    52   -54    59   0.56750  1.0 1.0
   49    52   -54    59  -0.07550 -1.0 2.0
   49    52   -54    59   0.20000  1.0 3.0
   49    52    55    82   0.06250  1.0 1.0
   49    52    55    82  -0.01100 -1.0 2.0
   49    52    55    82   0.28050  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    60   0.02550  1.0 1.0
   52    54   -56    60  -0.02600 -1.0 2.0
   52    54   -56    60   1.20400  1.0 3.0
   52    54   -60    56   0.06250  1.0 1.0
   52    54   -60    56  -0.01100 -1.0 2.0
   52    54   -60    56   0.28050  1.0 3.0
   52    54   -59    47   0.56750  1.0 1.0
   52    54   -59    47  -0.07550 -1.0 2.0
   52    54   -59    47   0.20000  1.0 3.0
   52    54    59    61   0.56750  1.0 1.0
   52    54    59    61  -0.07550 -1.0 2.0
   52    54    59    61   0.20000  1.0 3.0
   52    54    59    62   0.56750  1.0 1.0
   52    54    59    62  -0.07550 -1.0 2.0
   52    54    59    62   0.20000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    60   0.23400  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    55    82   0.37050  1.0 3.0
   54    52    55    82   0.06250  1.0 1.0
   54    52    55    82  -0.01100 -1.0 2.0
   54    52    55    82   0.28050  1.0 3.0
   54    59    61    66   0.47050  1.0 1.0
   54    59    61    66   0.03900 -1.0 2.0
   54    59    61    66   0.20100  1.0 3.0
   54    59   -61    82   0.47050  1.0 1.0
   54    59   -61    82   0.03900 -1.0 2.0
   54    59   -61    82   0.20100  1.0 3.0
   54    59    61    69   0.47050  1.0 1.0
   54    59    61    69   0.03900 -1.0 2.0
   54    59    61    69   0.20100  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.15000  1.0 3.0
   56    54    59    47   0.07850  1.0 1.0
   56    54    59    47  -0.03950 -1.0 2.0
   56    54    59    47   0.67350  1.0 3.0
   56    54    59    61   0.07850  1.0 1.0
   56    54    59    61  -0.03950 -1.0 2.0
   56    54    59    61   0.67350  1.0 3.0
   56    54    59    62   0.07850  1.0 1.0
   56    54    59    62  -0.03950 -1.0 2.0
   56    54    59    62   0.67350  1.0 3.0
   57    56   -60    54   0.36800  1.0 3.0
   58    56   -60    54   0.36800  1.0 3.0
   60    54   -56    57   0.23400  1.0 3.0
   60    54   -56    58   0.23400  1.0 3.0
   60    54    59    47   0.02550  1.0 1.0
   60    54    59    47  -0.02600 -1.0 2.0
   60    54    59    47   1.20400  1.0 3.0
   60    54    59    61   0.02550  1.0 1.0
   60    54    59    61  -0.02600 -1.0 2.0
   60    54    59    61   1.20400  1.0 3.0
   60    54    59    62   0.02550  1.0 1.0
   60    54    59    62  -0.02600 -1.0 2.0
   60    54    59    62   1.20400  1.0 3.0
   59    47    49    50   0.15000  1.0 3.0
   59    47    49    51   0.15000  1.0 3.0
   59    47   -49    52   0.56750  1.0 1.0
   59    47   -49    52  -0.07550 -1.0 2.0
   59    47   -49    52   0.20000  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54   -56    60   0.02550  1.0 1.0
   59    54   -56    60  -0.02600 -1.0 2.0
   59    54   -56    60   1.20400  1.0 3.0
   59    54   -60    56   0.06250  1.0 1.0
   59    54   -60    56  -0.01100 -1.0 2.0
   59    54   -60    56   0.28050  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    73  -0.95700  1.0 1.0
   59    61    66    73  -0.18200 -1.0 2.0
   59    61    66    73   0.29450  1.0 3.0
   59    61    82    76   0.34400  1.0 1.0
   59    61    82    76   0.09450 -1.0 2.0
   59    61    82    76   0.11100  1.0 3.0
   59    61    82    83   0.15000  1.0 3.0
   59    61    82    55   0.62750  1.0 1.0
   59    61    82    55  -0.30950 -1.0 2.0
   59    61    82    55   0.27300  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    71   0.15000  1.0 3.0
   59    61    69    72   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   61    66    73    74   0.30150 -1.0 2.0
   61    66    73    75   0.65300  1.0 1.0
   61    66    73    75  -0.03850 -1.0 2.0
   61    66    73    75   0.33900  1.0 3.0
   61    82   -55    52   0.06250  1.0 1.0
   61    82   -55    52  -0.01100 -1.0 2.0
   61    82   -55    52   0.28050  1.0 3.0
   66    61    82    76   0.34400  1.0 1.0
   66    61    82    76   0.09450 -1.0 2.0
   66    61    82    76   0.11100  1.0 3.0
   66    61    82    83   0.15000  1.0 3.0
   66    61    82    55   0.62750  1.0 1.0
   66    61    82    55  -0.30950 -1.0 2.0
   66    61    82    55   0.27300  1.0 3.0
   66    61    69    70   0.15000  1.0 3.0
   66    61    69    71   0.15000  1.0 3.0
   66    61    69    72   0.15000  1.0 3.0
   66    73   -75    76  -0.33500  1.0 1.0
   66    73   -75    76   1.06600 -1.0 2.0
   66    73   -75    76  -0.14000  1.0 3.0
   66    73    75    78   0.25700  1.0 1.0
   66    73    75    78   0.66200 -1.0 2.0
   66    73    75    78   0.04450  1.0 3.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    73    75   0.00000  1.0 1.0
   68    66    73    74   0.00000  1.0 1.0
   68    66    73    75   0.00000  1.0 1.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76   -82    61   0.09850  1.0 1.0
   75    76   -82    61   0.15250 -1.0 2.0
   75    76   -82    61  -0.50650  1.0 3.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    55   0.39000  1.0 1.0
   75    76    82    55  -0.05800 -1.0 2.0
   75    76    82    55  -0.55150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   76    82    55    52  -0.77900  1.0 1.0
   76    82    55    52  -0.36900 -1.0 2.0
   76    82    55    52   0.40400  1.0 3.0
   77    76    82    61   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    55   0.00000  1.0 1.0
   82    61    66    67   0.15000  1.0 3.0
   82    61    66    68   0.15000  1.0 3.0
   82    61   -66    73  -0.95700  1.0 1.0
   82    61   -66    73  -0.18200 -1.0 2.0
   82    61   -66    73   0.29450  1.0 3.0
   82    61    69    70   0.15000  1.0 3.0
   82    61    69    71   0.15000  1.0 3.0
   82    61    69    72   0.15000  1.0 3.0
   83    82    55    52   0.37050  1.0 3.0
   55    52    54    56  -0.26800  1.0 1.0
   55    52    54    56   0.69150 -1.0 2.0
   55    52    54    56  -0.48750  1.0 3.0
   55    52    54    60   1.11900  1.0 1.0
   55    52    54    60  -1.16350 -1.0 2.0
   55    52    54    60  -0.34150  1.0 3.0
   55    52   -54    59   0.62750  1.0 1.0
   55    52   -54    59  -0.30950 -1.0 2.0
   55    52   -54    59   0.27300  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   69    61    66    67   0.15000  1.0 3.0
   69    61    66    68   0.15000  1.0 3.0
   69    61    66    73  -0.95700  1.0 1.0
   69    61    66    73  -0.18200 -1.0 2.0
   69    61    66    73   0.29450  1.0 3.0
   69    61    82    76   0.34400  1.0 1.0
   69    61    82    76   0.09450 -1.0 2.0
   69    61    82    76   0.11100  1.0 3.0
   69    61    82    83   0.15000  1.0 3.0
   69    61    82    55   0.62750  1.0 1.0
   69    61    82    55  -0.30950 -1.0 2.0
   69    61    82    55   0.27300  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    82   0.56750  1.0 1.0
   62    59    61    82  -0.07550 -1.0 2.0
   62    59    61    82   0.20000  1.0 3.0
   62    59    61    69   0.56750  1.0 1.0
   62    59    61    69  -0.07550 -1.0 2.0
   62    59    61    69   0.20000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    44   0.09850  1.0 1.0
   40    33    38    44   0.15250 -1.0 2.0
   40    33    38    44  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
   66    75    73    74  10.50000 -1.0 2.0
   73    78    75    76   1.10000 -1.0 2.0
   82    77    76    75   1.10000 -1.0 2.0
END
