* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    156    244     467
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033   105.62945   -28.03242
    3     1 S   H    _H1_     3     1.02082    64.42742    75.56273
    4     1 S   H    _H2_     4     1.02147    48.02241  -129.31848
    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   167.74441
   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    57.98762
   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     8.59078
   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   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C21    36     1.91345    95.42851   161.87257
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C15    37     1.57594   104.13328   179.98022
   38    37 S   HC   _H40    38     1.10068   108.87450   -30.27898
   39    37 S   HC   _H41    39     1.08763   108.89680  -139.18020
   40    33 S   CT   _C18    59     1.62624   103.42548    64.65407
   41    40 S   OM   _O20    60     1.32571   110.58229   -78.74282
   42    40 S   HC   _H44    61     1.10559   102.80496    46.72869
   43    33 S   CO   _C20    66     1.58328   104.41491   -57.76441
   44    43 S   HC   _H46    67     1.09472   111.58424    76.61827
   45    37 S   CT   _C19    40     1.55498   120.98056    96.74099
   46    45 S   HC   _H45    41     1.08888   114.16931    -6.01083
   47    43 S   OH   _O25    68     1.43788   110.41426   -39.78095
   48    47 S   HO   _H49    69     0.96597   105.82974  -179.95154
   49    45 S   CT   _C17    42     1.55509   112.61457   120.32478
   50    49 S   HC   _H43    43     1.10187   107.77781    53.47043
   51    45 S   OS   _O27    73     1.43648   105.81081  -122.70665
   52    49 S   CM   _C6_    44     1.49964   119.88877   173.59391
   53    51 S   CO4  _C11    74     1.35876   115.53401    91.77682
   54    53 S   O    _O22    75     1.22239   125.99036     0.06853
   55    52 S   CO4  _C7_    45     1.48626   107.22337   158.71222
   56    55 S   O    _O21    46     1.21700   127.41016   163.53701
   57    52 S   CM   _C8_    70     1.33480   132.24039   -18.15282
   58    57 S   HC   _H30    71     1.08346   120.72474    -3.45695
   59    57 S   HC   _H31    72     1.08414   120.72710   176.53966
   60    53 S   CM   _C10    76     1.48967   109.51589  -179.89721
   61    55 S   OS   _O23    47     1.36906   106.54258   -15.26249
   62    60 S   CM   _C9_    77     1.34170   116.95965  -150.06121
   63    62 S   HC   _H32    78     1.08588   120.84011  -179.50742
   64    62 S   HC   _H33    79     1.08477   122.65976     0.40494
   65    60 S   CT   _C22    80     1.49992   120.96072    30.93222
   66    65 S   HC   _H47    81     1.09547   111.67887   -61.09636
   67    65 S   HC   _H48    82     1.09541   110.84697   178.76600
   68    49 S   CT   _C16    48     1.53746   116.37426   -70.70454
   69    68 S   HC   _H42    49     1.09586   111.47506   -54.52493
   70    65 S   OH   _O26    83     1.42161   109.48247    58.42204
   71    70 S   HO   _H50    84     0.97011   106.82117   180.00000
   72    68 S   CM   _C4_    50     1.49993   113.50605    72.19580
   73    72 S   HC   _H29    51     1.08877   115.70766    63.12182
   74    72 S   CM   _C5_    52     1.34916   125.00052  -106.73732
   75    74 S   CT   _C12    53     1.49954   120.24969   163.07063
   76    75 S   HC   _H34    54     1.09804   109.58810    43.81846
   77    75 S   HC   _H35    55     1.09581   110.99146   159.33751
   78    74 S   CT   _C13    62     1.49974   124.56169    -8.61001
   79    78 S   HC   _H36    63     1.09550   113.43081   177.03034
   80    78 S   HC   _H37    64     1.09652   108.44285   -65.67295
   81    75 S   CT   _C14    56     1.53779   111.96835   -76.67658
   82    81 S   HC   _H38    57     1.09799   108.14034    70.53891
   83    81 S   HC   _H39    58     1.10149   106.28851  -179.18795
   84    78 S   OS   _O24    65     1.41111   110.41559    52.15224
  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  13   5   4   3
  20   2   1   1  18   7   6  14   6   5  10   4  14   6   3   1
  15   8   7   9   9   3   8   3   4   1   1   8   5   6   2   1
   4   3   2   6   3   1   1  10   3  10   9   5   4   4   2   1
   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    81    40    41    42    84    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    49    75    81    82    83    40    41    42    78    84    43    44    47    48    51  
   35    36  
   36  
    0  
   38    39    45    46    49    50    52    68    81    40    41    42    84    43    44    47    51    53  
   39    45    46    49    40    43    51  
   45    46    49    40    43    51  
   41    42    84    43    44    47    45    74    75    76    77    81    82    83  
   42    43    75    81    82    83  
   43    75    81    82    83  
   44    47    48    45    74    78    79    80    81    84  
   47    48    78    84  
   46    49    50    52    55    61    68    69    72    57    51    53    54    60  
   49    50    52    68    51    53  
   48    78    84  
   84  
   50    52    55    56    61    68    69    72    73    74    57    58    59    51    53  
   52    55    61    68    69    72    57    51  
   53    54    60    62    65    52    68  
   55    56    61    68    69    72    57    58    59  
   54    60    62    63    64    65    66    67    70  
   60    62    65  
   56    61    68    69    72    57    58    59  
   61    68    57  
   58    59    61    68  
   59  
    0  
   62    63    64    65    66    67    70    71  
   68    69    72    73    74  
   63    64    65    66    67    70  
   64    65  
   65  
   66    67    70    71  
   67    70    71  
   70    71  
   69    72    73    74    75    78  
   72    73    74  
   71  
    0  
   73    74    75    76    77    81    78    79    80    84  
   74    75    78  
   75    76    77    81    82    83    78    79    80    84  
   76    77    81    82    83    78    79    80    84  
   77    81    82    83    78  
   81    82    83    78  
   79    80    84    81  
   80    84  
   84  
   82    83  
   83  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    68   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    78   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   320.000  1.410
   84    43   320.000  1.380
   43    44   340.000  1.090
   43    47   380.000  1.407
   47    48   553.000  0.945
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    62   549.000  1.340
   60    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    84    90.00000  108.56700
   33    43    44    45.00000  112.01100
   33    43    47    90.00000  110.19100
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    70.00000  112.02700
   45    49    68    58.35000  112.70000
   45    51    53    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    68    61    50.00000  109.50000
   49    68    69    37.50000  110.70000
   49    68    72    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    61    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    61    68    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    68    69    35.00000  109.50000
   61    68    72    85.00000  110.90400
   68    49    50    37.50000  110.70000
   68    49    52    70.00000  112.02700
   68    72    73    35.00000  117.00000
   68    72    74    70.00000  124.00000
   72    68    69    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    78    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    81    70.00000  112.02700
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    84    85.00000  110.90400
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    40    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    40    41    50.00000  109.50000
   81    40    42    37.50000  110.70000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   42    40    41    45.00000  125.66300
   78    74    75    65.00000  117.92700
   78    84    43    60.00000  109.50000
   80    78    79    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    80    35.00000  109.50000
   84    43    44    35.00000  109.50000
   84    43    47   110.00000  112.08000
   43    33    37    75.00000  109.43000
   43    33    40    75.00000  109.43000
   43    47    48    70.00000  107.92000
   47    43    44    60.00000  108.02500
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    90.00000  111.29400
   53    60    62    65.00000  118.96000
   53    60    65    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    62    63    35.00000  120.00000
   60    62    64    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    70    90.00000  110.39200
   64    62    63    35.00000  117.00000
   65    60    62    70.00000  124.00000
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    84   0.56750  1.0 1.0
   29    33    43    84  -0.07550 -1.0 2.0
   29    33    43    84   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    51   0.62750  1.0 1.0
   33    37    45    51  -0.30950 -1.0 2.0
   33    37    45    51   0.27300  1.0 3.0
   33    43    47    48  -0.11600  1.0 1.0
   33    43    47    48  -0.09450 -1.0 2.0
   33    43    47    48   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    84   0.62750  1.0 1.0
   37    33    43    84  -0.30950 -1.0 2.0
   37    33    43    84   0.27300  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    47   0.86500  1.0 1.0
   37    33    43    47  -0.17500 -1.0 2.0
   37    33    43    47   0.20800  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    52   0.34400  1.0 1.0
   37    45    49    52   0.09450 -1.0 2.0
   37    45    49    52   0.11100  1.0 3.0
   37    45    49    68   0.56750  1.0 1.0
   37    45    49    68  -0.07550 -1.0 2.0
   37    45    49    68   0.20000  1.0 3.0
   37    45    51    53  -0.25900  1.0 1.0
   37    45    51    53  -0.47000 -1.0 2.0
   37    45    51    53   0.11750  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    51   0.23400  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    49   0.15000  1.0 3.0
   39    37    45    51   0.23400  1.0 3.0
   45    49    52    55   0.09700  1.0 1.0
   45    49    52    55   0.15600 -1.0 2.0
   45    49    52    55  -0.50800  1.0 3.0
   45    49    52    57   0.09850  1.0 1.0
   45    49    52    57   0.15250 -1.0 2.0
   45    49    52    57  -0.50650  1.0 3.0
   45    49    68    61   0.62750  1.0 1.0
   45    49    68    61  -0.30950 -1.0 2.0
   45    49    68    61   0.27300  1.0 3.0
   45    49    68    69   0.15000  1.0 3.0
   45    49    68    72   0.34400  1.0 1.0
   45    49    68    72   0.09450 -1.0 2.0
   45    49    68    72   0.11100  1.0 3.0
   45    51    53    54   3.00000 -1.0 2.0
   45    51    53    60   2.00000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    68   0.15000  1.0 3.0
   46    45    51    53   0.08050  1.0 3.0
   49    45    51    53  -0.25900  1.0 1.0
   49    45    51    53  -0.47000 -1.0 2.0
   49    45    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    61  -0.15000  1.0 1.0
   49    52   -55    61   0.89550 -1.0 2.0
   49    52   -55    61  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    68    72    73   0.00000  1.0 1.0
   49    68    72    74   0.09850  1.0 1.0
   49    68    72    74   0.15250 -1.0 2.0
   49    68    72    74  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    68    61   0.23400  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   50    49    68    72   0.15000  1.0 3.0
   52    49   -68    61   0.61850  1.0 1.0
   52    49   -68    61  -0.22750 -1.0 2.0
   52    49   -68    61   0.15300  1.0 3.0
   52    49    68    69   0.15000  1.0 3.0
   52    49    68    72   0.31000  1.0 1.0
   52    49    68    72   0.14700 -1.0 2.0
   52    49    68    72   0.07550  1.0 3.0
   52    55   -61    68   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    61   -68    49  -0.25900  1.0 1.0
   55    61   -68    49  -0.47000 -1.0 2.0
   55    61   -68    49   0.11750  1.0 3.0
   55    61    68    69   0.08050  1.0 3.0
   55    61    68    72  -0.82050  1.0 1.0
   55    61    68    72   0.00600 -1.0 2.0
   55    61    68    72   0.04400  1.0 3.0
   56    55    61    68   3.00000 -1.0 2.0
   61    68    72    73   0.00000  1.0 1.0
   61    68    72    74   0.39000  1.0 1.0
   61    68    72    74  -0.05800 -1.0 2.0
   61    68    72    74  -0.55150  1.0 3.0
   68    49   -52    55   0.09700  1.0 1.0
   68    49   -52    55   0.15600 -1.0 2.0
   68    49   -52    55  -0.50800  1.0 3.0
   68    49    52    57   0.09850  1.0 1.0
   68    49    52    57   0.15250 -1.0 2.0
   68    49    52    57  -0.50650  1.0 3.0
   68    72    74    75   7.00000 -1.0 2.0
   68    72    74    78   7.00000 -1.0 2.0
   69    68    72    73   0.33100  1.0 3.0
   69    68    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    81   0.09850  1.0 1.0
   72    74    75    81   0.15250 -1.0 2.0
   72    74    75    81  -0.50650  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    84   0.39000  1.0 1.0
   72    74    78    84  -0.05800 -1.0 2.0
   72    74    78    84  -0.55150  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    78   7.00000 -1.0 2.0
   74    75    81    82   0.15000  1.0 3.0
   74    75    81    83   0.15000  1.0 3.0
   74    75    81    40   0.34400  1.0 1.0
   74    75    81    40   0.09450 -1.0 2.0
   74    75    81    40   0.11100  1.0 3.0
   74    78    84    43  -0.77900  1.0 1.0
   74    78    84    43  -0.36900 -1.0 2.0
   74    78    84    43   0.40400  1.0 3.0
   75    74    78    79   0.34800  1.0 3.0
   75    74    78    80   0.34800  1.0 3.0
   75    74    78    84   0.09700  1.0 1.0
   75    74    78    84   0.15600 -1.0 2.0
   75    74    78    84  -0.50800  1.0 3.0
   75    81    40    33   0.56750  1.0 1.0
   75    81    40    33  -0.07550 -1.0 2.0
   75    81    40    33   0.20000  1.0 3.0
   75    81    40    41   0.62750  1.0 1.0
   75    81    40    41  -0.30950 -1.0 2.0
   75    81    40    41   0.27300  1.0 3.0
   75    81    40    42   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    40   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    40   0.15000  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.23400  1.0 3.0
   82    81    40    42   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.23400  1.0 3.0
   83    81    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    43    84   0.62750  1.0 1.0
   40    33    43    84  -0.30950 -1.0 2.0
   40    33    43    84   0.27300  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    47   0.86500  1.0 1.0
   40    33    43    47  -0.17500 -1.0 2.0
   40    33    43    47   0.20800  1.0 3.0
   78    74    75    76   0.34800  1.0 3.0
   78    74    75    77   0.34800  1.0 3.0
   78    74    75    81   0.46850  1.0 1.0
   78    74    75    81   0.08550 -1.0 2.0
   78    74    75    81   0.09800  1.0 3.0
   78    84    43    33   0.06250  1.0 1.0
   78    84    43    33  -0.01100 -1.0 2.0
   78    84    43    33   0.28050  1.0 3.0
   78    84    43    44   0.37050  1.0 3.0
   78    84    43    47  -0.70900  1.0 1.0
   78    84    43    47  -1.18000 -1.0 2.0
   78    84    43    47   0.91650  1.0 3.0
   79    78    84    43   0.37050  1.0 3.0
   80    78    84    43   0.37050  1.0 3.0
   84    43    47    48  -0.50000  1.0 1.0
   84    43    47    48  -0.73950 -1.0 2.0
   84    43    47    48   0.17150  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    45   3.97050  1.0 1.0
   43    33    40    81   3.97050  1.0 1.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    61  -0.56150  1.0 1.0
   57    52    55    61   2.19150 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    52   0.61850  1.0 1.0
   51    45    49    52  -0.22750 -1.0 2.0
   51    45    49    52   0.15300  1.0 3.0
   51    45    49    68   0.62750  1.0 1.0
   51    45    49    68  -0.30950 -1.0 2.0
   51    45    49    68   0.27300  1.0 3.0
   51    53    60    62  -0.56150  1.0 1.0
   51    53    60    62   2.19150 -1.0 2.0
   51    53    60    65  -0.15000  1.0 1.0
   51    53    60    65   0.89550 -1.0 2.0
   51    53    60    65  -0.06900  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    64   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    70   0.09700  1.0 1.0
   53    60    65    70   0.15600 -1.0 2.0
   53    60    65    70  -0.50800  1.0 3.0
   54    53    60    62   1.00000 -1.0 2.0
   54    53    60    65  -0.64400  1.0 1.0
   54    53    60    65   0.26850 -1.0 2.0
   60    65    70    71  -0.07800  1.0 1.0
   60    65    70    71  -0.21500 -1.0 2.0
   60    65    70    71  -0.03150  1.0 3.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   62    60    65    70   0.67800  1.0 1.0
   62    60    65    70   0.47050 -1.0 2.0
   62    60    65    70  -0.62500  1.0 3.0
   65    60    62    63   7.00000 -1.0 2.0
   65    60    62    64   7.00000 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   0.19450  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
   36    30    34    35  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    61    55    56  10.50000 -1.0 2.0
   68    73    72    74   1.10000 -1.0 2.0
   75    78    74    72   1.10000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   53    65    60    62  15.00000 -1.0 2.0
   63    64    62    60  15.00000 -1.0 2.0
END
