* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     480
    1     0 S   NP   _N1_     1    29.17587    96.56310   -24.32356
    2     1 S   H    _HN1     2     1.02957    74.54379     0.01978
    3     1 S   H    _H1_     3     1.02827    32.97522   170.48438
    4     1 S   H    _H2_     4     1.02787   114.03575  -103.47090
    5     1 S   CT   _CA1     5     1.50122   128.68044   104.01865
    6     5 S   HC   _HA1     6     1.09574   105.22304    91.48013
    7     5 S   CO3  _C1_     7     1.53773   112.40576   -28.75205
    8     7 S   O2Z  _O11     8     1.26363   115.01403   -44.15386
    9     7 S   O2Z  _O12     9     1.26240   114.92807   134.96466
   10     5 S   CT   _CB1    10     1.53055   107.38050  -150.61801
   11    10 S   HC   HB11    11     1.09835   109.30543   -50.59086
   12    10 S   HC   HB12    12     1.09821   110.43317    65.93280
   13    10 S   CT   _CG1    13     1.53017   112.71539  -171.66271
   14    13 S   HC   HG11    14     1.09585   110.56197   -64.88940
   15    13 S   HC   HG12    15     1.09651   109.93543    54.41971
   16    13 S   C    _CD1    16     1.51740   112.10887   174.74417
   17    16 S   O    _OE1    17     1.22746   123.27232     2.02275
   18    16 S   N    _N2_    18     1.38583   111.91126  -178.10514
   19    18 S   H    _HN2    19     1.01592   119.12713     2.94125
   20    18 S   CT1  _CA2    20     1.45787   122.67981   177.36664
   21    20 S   HC   _HA2    21     1.09476   110.06111    13.21354
   22    20 S   C    _C2_    22     1.52773   105.39175  -102.70109
   23    22 S   O    _O2_    23     1.22924   122.81845   -99.38934
   24    20 S   CT   _CB2    32     1.53074   111.76742   136.44268
   25    24 S   HC   HB21    33     1.09632   110.37792    56.13795
   26    24 S   HC   HB22    34     1.09586   110.54191   173.89944
   27    22 S   N    _N3_    24     1.38520   112.72467    78.43353
   28    27 S   H    _HN3    25     1.01710   119.96508    -1.11627
   29    24 S   S    _SG2    35     1.82965   114.04977   -63.83219
   30    27 S   CT   _CA3    26     1.45308   122.52265  -179.20058
   31    30 S   HC   HA31    27     1.09569   107.38908   -62.53711
   32    30 S   HC   HA32    28     1.09559   108.00289    53.73236
   33    29 S   CT   _C22    36     1.82841    99.75385   -61.66918
   34    33 S   HC   _H26    37     1.09406   108.42967   -41.05943
   35    33 S   HC   _H27    38     1.09112   105.55965    76.40099
   36    30 S   CO3  _C3_    29     1.52850   114.35069   175.39883
   37    36 S   O2Z  _O31    30     1.26321   116.04232   -12.95299
   38    36 S   O2Z  _O32    31     1.26425   114.45144   167.23792
   39    33 S   CT   _C20    39     1.52955   112.51024  -163.85586
   40    39 S   HC   _H7_    40     1.09718   110.72493   -51.95838
   41    39 S   CO4  _C21    41     1.51047   110.90804    69.42805
   42    41 S   O    _O38    42     1.22117   126.06536   -77.72990
   43    41 S   OS   _O39    43     1.36365   109.98376   101.30371
   44    43 S   CT   _C7_    44     1.44737   110.87846     1.27978
   45    44 S   HC   _H3_    45     1.09882   105.61869   -92.39552
   46    44 S   CM   _C6_    46     1.50917   105.40189   156.54918
   47    46 S   HC   _H11    47     1.09576   107.01200    62.27086
   48    39 S   CT   _C8_    61     1.55175   117.07551  -176.50587
   49    48 S   HC   _H4_    62     1.09333   102.24889   161.21158
   50    46 S   CM   _C5_    48     1.35201   139.51547  -117.67575
   51    50 S   CO   _C14    49     1.52527   130.55066     0.02798
   52    50 S   CT   _C4_    83     1.52468   116.76804  -179.73166
   53    52 S   HC   _H8_    84     1.09452   110.75842   122.21953
   54    52 S   HC   _H9_    85     1.09541   112.96587     2.45503
   55    52 S   HC   _H10    86     1.09477   110.57622  -117.37178
   56    51 S   CT   _C13    50     1.54109   112.04992  -113.68094
   57    56 S   HC   _H14    51     1.09654   111.34923    20.62095
   58    56 S   HC   _H15    52     1.09570   112.25527  -100.48175
   59    51 S   OH   _O34    81     1.42950   109.73024   126.59820
   60    59 S   HO   _H16    82     0.97192   107.35707   -43.03577
   61    56 S   CT   _C12    53     1.51721   103.51672   137.69119
   62    61 S   HC   _H6_    54     1.09439   113.16569  -152.54269
   63    61 S   CT   _C11    55     1.53214   102.35848   -30.49074
   64    61 S   OH   _O35    79     1.42468   108.98455    87.40896
   65    64 S   HO   _H17    80     0.97242   107.62449    63.16784
   66    63 S   CT   _C10    56     1.54505   111.09519   -78.89034
   67    66 S   HC   _H12    57     1.09664   110.83438    49.40364
   68    66 S   HC   _H13    58     1.09816   108.36476   -64.36526
   69    51 S   OS   _O33    74     1.42433   112.77490     6.75958
   70    63 S   CT   _C15    75     1.52843   113.45951   154.55134
   71    70 S   HC   _H18    76     1.09568   111.40009   -58.06618
   72    70 S   HC   _H19    77     1.09491   111.47710  -175.21849
   73    70 S   HC   _H20    78     1.09450   111.32824    63.35496
   74    66 S   CT   _C9_    59     1.54308   116.88508   172.28663
   75    74 S   HC   _H5_    60     1.09726   109.36767    69.40471
   76    74 S   OS   _O36    63     1.45317   106.31311  -173.34837
   77    76 S   CO4  _C16    64     1.36177   117.93616   -80.83973
   78    77 S   O    _O37    65     1.22231   125.85966    -0.57777
   79    77 S   CM   _C17    66     1.48939   109.53580   179.30875
   80    79 S   CM   _C18    67     1.34116   117.34282   177.45524
   81    80 S   HC   _H21    68     1.08578   121.02882  -179.92087
   82    80 S   HC   _H22    69     1.08537   122.56851    -0.54965
   83    79 S   CT   _C19    70     1.49730   120.30620    -2.70400
   84    83 S   HC   _H23    71     1.09494   110.62768   -58.08421
   85    83 S   HC   _H24    72     1.09438   110.63558    62.49491
   86    83 S   HC   _H25    73     1.09541   111.86890  -177.82354
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  13  16   6   2   1   1  12   7   6   4   1  13   6  13   4
   1  11   6   5   5   4   2   1   1   5   2   5   9   3   7   6
   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    74    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    74    75    48    49    76  
   41    42    43    44    74    48    49  
   42    43    44    45    46    74    48    49  
   43    44    48  
   44    45    46    47    50    74    48    49  
   45    46    47    50    51    66    74    75    48    49    76    52  
   46    47    50    74    48    49  
   47    50    51    56    74    48    49    69    59    52    53    54    55  
   50    51    48    52  
   49    76    77    50    63    66    67    68    74    75  
   76    66    74    75  
   51    56    57    58    61    63    69    59    60    52    53    54    55  
   56    57    58    61    62    63    66    69    70    64    59    60    52    53    54    55  
   53    54    55    56    59    69  
   54    55  
   55  
    0  
   57    58    61    62    63    66    69    70    64    65    59    60  
   58    61    62    63    69    64    59  
   61    62    63    69    64    59  
   60    61    63    69  
   69  
   62    63    66    67    68    74    69    70    71    72    73    64    65  
   63    66    69    70    64    65  
   66    67    68    74    75    76    69    70    71    72    73    64    65  
   65    66    69    70  
    0  
   67    68    74    75    76    77    69    70    71    72    73  
   68    74    75    76    69    70  
   74    75    76    69    70  
   70    71    72    73    74  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77  
   77    78    79    80    83  
   78    79    80    81    82    83    84    85    86  
   79    80    83  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    52   317.000  1.510
   51    56   250.000  1.527
   51    69   320.000  1.380
   51    59   380.000  1.407
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    64   320.000  1.410
   63    66   268.000  1.529
   63    69   320.000  1.410
   63    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    48   268.000  1.529
   74    76   320.000  1.410
   48    49   340.000  1.090
   76    77   214.000  1.327
   77    78   570.000  1.229
   77    79   320.000  1.462
   79    80   549.000  1.340
   79    83   317.000  1.510
   80    81   340.000  1.080
   80    82   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   553.000  0.945
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    74    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    74    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    52    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    56    70.00000  112.02700
   50    51    69    85.00000  110.90400
   50    51    59    90.00000  110.39200
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    56    57    45.00000  108.72000
   51    56    58    45.00000  108.72000
   51    56    61    75.00000  109.43000
   51    69    63    60.00000  109.50000
   51    59    60    70.00000  107.92000
   56    61    62    37.50000  110.70000
   56    61    63    58.35000  112.70000
   56    61    64    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    63    66    58.35000  112.70000
   61    63    69    50.00000  109.50000
   61    63    70    58.35000  112.70000
   61    64    65    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    74    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    48    58.35000  112.70000
   66    74    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    48    49    37.50000  110.70000
   74    76    77    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    74    75    37.50000  110.70000
   76    74    75    35.00000  109.50000
   76    74    48    50.00000  109.50000
   76    77    78    83.00000  123.40000
   76    77    79    90.00000  111.29400
   77    79    80    65.00000  118.96000
   77    79    83    65.00000  116.34900
   79    77    78    80.00000  123.72100
   79    80    81    35.00000  120.00000
   79    80    82    35.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   82    80    81    35.00000  117.00000
   83    79    80    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    51    56    90.00000  108.56700
   69    63    66    50.00000  109.50000
   70    63    66    58.35000  112.70000
   70    63    69    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    50.00000  109.50000
   59    51    56    90.00000  110.19100
   59    51    69   110.00000  112.08000
   52    50    51    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    74   0.56750  1.0 1.0
   33    39    48    74  -0.07550 -1.0 2.0
   33    39    48    74   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    74   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    74  -0.95700  1.0 1.0
   41    39    48    74  -0.18200 -1.0 2.0
   41    39    48    74   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    74   0.62750  1.0 1.0
   43    44    48    74  -0.30950 -1.0 2.0
   43    44    48    74   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    52   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    74   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    74   0.34400  1.0 1.0
   46    44    48    74   0.09450 -1.0 2.0
   46    44    48    74   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    56   0.09850  1.0 1.0
   46    50    51    56   0.15250 -1.0 2.0
   46    50    51    56  -0.50650  1.0 3.0
   46    50    51    69   0.39000  1.0 1.0
   46    50    51    69  -0.05800 -1.0 2.0
   46    50    51    69  -0.55150  1.0 3.0
   46    50    51    59   0.67800  1.0 1.0
   46    50    51    59   0.47050 -1.0 2.0
   46    50    51    59  -0.62500  1.0 3.0
   46    50    52    53   0.00000  1.0 1.0
   46    50    52    54   0.00000  1.0 1.0
   46    50    52    55   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51    69    63  -0.77900  1.0 1.0
   50    51    69    63  -0.36900 -1.0 2.0
   50    51    69    63   0.40400  1.0 3.0
   50    51    59    60  -0.07800  1.0 1.0
   50    51    59    60  -0.21500 -1.0 2.0
   50    51    59    60  -0.03150  1.0 3.0
   51    50    52    53   0.34800  1.0 3.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    52    55   0.34800  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56   -61    63   3.97050  1.0 1.0
   51    56    61    64   0.86500  1.0 1.0
   51    56    61    64  -0.17500 -1.0 2.0
   51    56    61    64   0.20800  1.0 3.0
   56    51   -69    63   0.06250  1.0 1.0
   56    51   -69    63  -0.01100 -1.0 2.0
   56    51   -69    63   0.28050  1.0 3.0
   56    51    59    60  -0.11600  1.0 1.0
   56    51    59    60  -0.09450 -1.0 2.0
   56    51    59    60   0.21250  1.0 3.0
   56    61    63    66   0.56750  1.0 1.0
   56    61    63    66  -0.07550 -1.0 2.0
   56    61    63    66   0.20000  1.0 3.0
   56    61   -63    69   0.62750  1.0 1.0
   56    61   -63    69  -0.30950 -1.0 2.0
   56    61   -63    69   0.27300  1.0 3.0
   56    61    63    70   0.56750  1.0 1.0
   56    61    63    70  -0.07550 -1.0 2.0
   56    61    63    70   0.20000  1.0 3.0
   56    61    64    65  -0.11600  1.0 1.0
   56    61    64    65  -0.09450 -1.0 2.0
   56    61    64    65   0.21250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.23400  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    68   0.15000  1.0 3.0
   61    63    66    74   0.56750  1.0 1.0
   61    63    66    74  -0.07550 -1.0 2.0
   61    63    66    74   0.20000  1.0 3.0
   61    63   -69    51   0.06250  1.0 1.0
   61    63   -69    51  -0.01100 -1.0 2.0
   61    63   -69    51   0.28050  1.0 3.0
   61    63    70    71   0.15000  1.0 3.0
   61    63    70    72   0.15000  1.0 3.0
   61    63    70    73   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    64    65   0.19450  1.0 3.0
   63    61    64    65  -0.11600  1.0 1.0
   63    61    64    65  -0.09450 -1.0 2.0
   63    61    64    65   0.21250  1.0 3.0
   63    66    74    75   0.15000  1.0 3.0
   63    66    74    48   0.56750  1.0 1.0
   63    66    74    48  -0.07550 -1.0 2.0
   63    66    74    48   0.20000  1.0 3.0
   63    66    74    76   0.62750  1.0 1.0
   63    66    74    76  -0.30950 -1.0 2.0
   63    66    74    76   0.27300  1.0 3.0
   66    63    69    51   0.06250  1.0 1.0
   66    63    69    51  -0.01100 -1.0 2.0
   66    63    69    51   0.28050  1.0 3.0
   66    63    70    71   0.15000  1.0 3.0
   66    63    70    72   0.15000  1.0 3.0
   66    63    70    73   0.15000  1.0 3.0
   66    74    48    39   0.56750  1.0 1.0
   66    74    48    39  -0.07550 -1.0 2.0
   66    74    48    39   0.20000  1.0 3.0
   66    74    48    44   0.56750  1.0 1.0
   66    74    48    44  -0.07550 -1.0 2.0
   66    74    48    44   0.20000  1.0 3.0
   66    74    48    49   0.15000  1.0 3.0
   66    74    76    77  -0.25900  1.0 1.0
   66    74    76    77  -0.47000 -1.0 2.0
   66    74    76    77   0.11750  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    48   0.15000  1.0 3.0
   67    66    74    76   0.23400  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    48   0.15000  1.0 3.0
   68    66    74    76   0.23400  1.0 3.0
   74    76    77    78   3.00000 -1.0 2.0
   74    76    77    79   2.00000 -1.0 2.0
   75    74    48    39   0.15000  1.0 3.0
   75    74    48    44   0.15000  1.0 3.0
   75    74    48    49   0.15000  1.0 3.0
   75    74    76    77   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    74    76    77  -0.25900  1.0 1.0
   48    74    76    77  -0.47000 -1.0 2.0
   48    74    76    77   0.11750  1.0 3.0
   76    74    48    39   0.62750  1.0 1.0
   76    74    48    39  -0.30950 -1.0 2.0
   76    74    48    39   0.27300  1.0 3.0
   76    74    48    44   0.62750  1.0 1.0
   76    74    48    44  -0.30950 -1.0 2.0
   76    74    48    44   0.27300  1.0 3.0
   76    74    48    49   0.23400  1.0 3.0
   76    77    79    80  -0.56150  1.0 1.0
   76    77    79    80   2.19150 -1.0 2.0
   76    77    79    83  -0.15000  1.0 1.0
   76    77    79    83   0.89550 -1.0 2.0
   76    77    79    83  -0.06900  1.0 3.0
   77    79    80    81   7.00000 -1.0 2.0
   77    79    80    82   7.00000 -1.0 2.0
   77    79    83    84   0.15000  1.0 3.0
   77    79    83    85   0.15000  1.0 3.0
   77    79    83    86   0.15000  1.0 3.0
   78    77    79    80   1.00000 -1.0 2.0
   78    77    79    83  -0.64400  1.0 1.0
   78    77    79    83   0.26850 -1.0 2.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   83    79    80    81   7.00000 -1.0 2.0
   83    79    80    82   7.00000 -1.0 2.0
   69    51    56    57   0.23400  1.0 3.0
   69    51    56    58   0.23400  1.0 3.0
   69    51   -56    61   0.62750  1.0 1.0
   69    51   -56    61  -0.30950 -1.0 2.0
   69    51   -56    61   0.27300  1.0 3.0
   69    51    59    60  -0.50000  1.0 1.0
   69    51    59    60  -0.73950 -1.0 2.0
   69    51    59    60   0.17150  1.0 3.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    74   0.62750  1.0 1.0
   69    63    66    74  -0.30950 -1.0 2.0
   69    63    66    74   0.27300  1.0 3.0
   69    63    70    71   0.23400  1.0 3.0
   69    63    70    72   0.23400  1.0 3.0
   69    63    70    73   0.23400  1.0 3.0
   70    63    66    67   0.15000  1.0 3.0
   70    63    66    68   0.15000  1.0 3.0
   70    63    66    74   0.56750  1.0 1.0
   70    63    66    74  -0.07550 -1.0 2.0
   70    63    66    74   0.20000  1.0 3.0
   70    63    69    51   0.06250  1.0 1.0
   70    63    69    51  -0.01100 -1.0 2.0
   70    63    69    51   0.28050  1.0 3.0
   64    61    63    66   0.86500  1.0 1.0
   64    61    63    66  -0.17500 -1.0 2.0
   64    61    63    66   0.20800  1.0 3.0
   64    61    63    69   3.69350  1.0 1.0
   64    61    63    69  -1.82950 -1.0 2.0
   64    61    63    70   0.86500  1.0 1.0
   64    61    63    70  -0.17500 -1.0 2.0
   64    61    63    70   0.20800  1.0 3.0
   59    51    56    57   0.23400  1.0 3.0
   59    51    56    58   0.23400  1.0 3.0
   59    51    56    61   0.86500  1.0 1.0
   59    51    56    61  -0.17500 -1.0 2.0
   59    51    56    61   0.20800  1.0 3.0
   59    51    69    63  -0.70900  1.0 1.0
   59    51    69    63  -1.18000 -1.0 2.0
   59    51    69    63   0.91650  1.0 3.0
   52    50    51    56   0.46850  1.0 1.0
   52    50    51    56   0.08550 -1.0 2.0
   52    50    51    56   0.09800  1.0 3.0
   52    50    51    69   0.09700  1.0 1.0
   52    50    51    69   0.15600 -1.0 2.0
   52    50    51    69  -0.50800  1.0 3.0
   52    50    51    59   0.18000  1.0 1.0
   52    50    51    59   0.16450 -1.0 2.0
   52    50    51    59   0.04450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
   76    79    77    78  10.50000 -1.0 2.0
   77    83    79    80  15.00000 -1.0 2.0
   81    82    80    79  15.00000 -1.0 2.0
END
