* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    161    249     462
    1     0 S   NP   _N1_     1    28.61872    94.83555   -21.55746
    2     1 S   H    _HN1     2     1.02780    90.48350   -93.68487
    3     1 S   H    _H1_     3     1.02959    89.30340    14.63390
    4     1 S   H    _H2_     4     1.02838    31.00914   140.75081
    5     1 S   CT   _CA1     5     1.50143   141.73079   137.85014
    6     5 S   HC   _HA1     6     1.09558   105.27313    60.91229
    7     5 S   CO3  _C1_     7     1.53928   112.19096   -59.50153
    8     7 S   O2Z  _O11     8     1.26384   114.97323   -44.31473
    9     7 S   O2Z  _O12     9     1.26222   114.96682   134.71887
   10     5 S   CT   _CB1    10     1.53116   107.42529   179.06770
   11    10 S   HC   HB11    11     1.09824   109.75956   -47.32254
   12    10 S   HC   HB12    12     1.09824   110.19203    69.30309
   13    10 S   CT   _CG1    13     1.53054   112.64482  -168.27133
   14    13 S   HC   HG11    14     1.09592   110.46020   -57.72349
   15    13 S   HC   HG12    15     1.09624   110.06108    61.52675
   16    13 S   C    _CD1    16     1.51841   112.15431  -177.80429
   17    16 S   O    _OE1    17     1.22737   123.21186    -3.33272
   18    16 S   N    _N2_    18     1.38661   111.73233   176.00678
   19    18 S   H    _HN2    19     1.01578   119.10151     3.81901
   20    18 S   CT1  _CA2    20     1.46354   123.24398  -173.99508
   21    20 S   HC   _HA2    21     1.09726   109.34157    -9.44323
   22    20 S   C    _C2_    22     1.53299   108.84662  -125.51267
   23    22 S   O    _O2_    23     1.23023   122.12954  -146.70976
   24    20 S   CT   _CB2    32     1.53592   111.09612   112.11596
   25    24 S   HC   HB21    33     1.09588   109.40422    59.63789
   26    24 S   HC   HB22    34     1.09502   110.78983   178.53180
   27    22 S   N    _N3_    24     1.38470   113.43515    40.69124
   28    27 S   H    _HN3    25     1.01525   118.91454    -0.61453
   29    24 S   S    _SG2    35     1.82629   111.24440   -61.16168
   30    27 S   CT   _CA3    26     1.45456   123.46201   175.06723
   31    30 S   HC   HA31    27     1.09523   109.24730    24.12302
   32    30 S   HC   HA32    28     1.09496   107.11814   141.13299
   33    29 S   CT   _C14    36     1.80678    99.82455   160.72082
   34    33 S   HC   _H3_    37     1.09858   107.13988   -41.65380
   35    30 S   CO3  _C3_    29     1.52928   113.11335   -99.35917
   36    35 S   O2Z  _O31    30     1.26402   115.40438   -44.29845
   37    35 S   O2Z  _O32    31     1.26355   114.98040   136.62740
   38    33 S   CM   _C4_    38     1.50183   117.99736  -160.19806
   39    38 S   CMA  _C5_    39     1.35494   108.81239  -153.66018
   40    39 S   OM   _O21    40     1.26257   128.37251  -171.15920
   41    38 S   CT   _C12    63     1.50343   122.49300    32.10419
   42    41 S   HC   _H32    64     1.09562   110.24827   -20.75568
   43    41 S   HC   _H33    65     1.09897   106.30904    90.46462
   44    39 S   OS   _O24    41     1.43444   109.64769     8.57297
   45    33 S   CT   _C16    42     1.52332   116.29424    81.92118
   46    45 S   HC   _H38    43     1.09783   108.43139   -83.59840
   47    45 S   CT   _C13    44     1.55643   119.85009    39.49977
   48    47 S   HC   _H34    45     1.09819   107.19584  -168.43024
   49    47 S   HC   _H35    46     1.09562   110.50229   -54.23792
   50    47 S   C3T  _C20    47     1.51433   115.29394    72.24393
   51    50 S   C3T  _C18    48     1.53118   117.64991   -72.61145
   52    51 S   HC   _H40    49     1.07625   122.55871    -6.96751
   53    50 S   CT   _C23    81     1.50743   116.26585    90.84617
   54    53 S   HC   _H48    82     1.09489   112.24385   175.10879
   55    53 S   HC   _H49    83     1.09563   109.91736    56.20738
   56    53 S   HC   _H50    84     1.09145   111.96572   -63.40094
   57    51 S   CT   _C17    50     1.49298   119.85184   146.06816
   58    57 S   HC   _H39    51     1.09653   110.94966   -18.69207
   59    50 S   O3T  _O26    80     1.43691   116.52573  -138.07098
   60    57 S   CT   _C15    52     1.53648   114.06098  -143.89604
   61    60 S   HC   _H37    53     1.10025   109.99694   -43.43626
   62    60 S   CM   _C6_    54     1.50723    97.47300  -153.39493
   63    60 S   CT   _C19    61     1.55646   117.90645    81.18690
   64    63 S   HC   _H41    62     1.09514   109.85919    61.57987
   65    62 S   CO4  _C7_    55     1.47984   108.15275    29.24351
   66    65 S   O    _O22    56     1.21740   127.35458   164.95211
   67    62 S   CM   _C8_    58     1.33662   132.55155  -147.31047
   68    67 S   HC   _H29    59     1.08189   122.33790    -1.56960
   69    67 S   HC   _H30    60     1.08593   121.47226   178.11415
   70    63 S   OS   _O27    66     1.46548   105.61217   178.71002
   71    57 S   OS   _O25    57     1.44117   108.74272    98.94696
   72    70 S   CO4  _C11    67     1.36032   118.21750  -153.60849
   73    72 S   O    _O23    68     1.21870   126.94676     4.63870
   74    72 S   CM   _C9_    69     1.48131   106.98072  -175.39870
   75    74 S   HC   _H31    70     1.08758   115.17689   -24.29110
   76    74 S   CM   _C10    71     1.34534   125.30023   155.51573
   77    76 S   CT   _C21    72     1.50690   119.79100   178.63069
   78    77 S   HC   _H42    73     1.09503   110.32061   118.16873
   79    77 S   HC   _H43    74     1.09520   112.44561    -1.97556
   80    77 S   HC   _H44    75     1.09500   110.16748  -121.98684
   81    76 S   CT   _C22    76     1.50310   126.12696    -2.75847
   82    81 S   HC   _H45    77     1.09454   110.13578   106.76109
   83    81 S   HC   _H46    78     1.09171   113.55872   -15.18100
   84    81 S   HC   _H47    79     1.09581   110.09911  -134.01197
  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
  15   7   2   1   1  13   9   3  12   5   4   6   8   4  11   5
   4  11  14   6   5   3   2   1  12   7   2  12   7   9   8   2
   5   2   3   1   1   5   1   6   3  10   3   8   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    47    48    49    50    63    41    42    43  
   38    39    44    45    46    47    41  
   36    37  
   37  
    0  
   39    40    44    45    46    47    60    63    64    41    42    43    70  
   40    44    45    46    47    63    41    42    43  
   44    45    41  
   42    43    70    72    44    45    57    60    61    62    63    64  
   43    70    60    63    64  
   70    60    63    64  
   45    46    47    48    49    50  
   46    47    48    49    50    51    59    53  
   47    48    49    50  
   48    49    50    51    52    57    59    53    54    55    56  
   49    50    51    59    53  
   50    51    59    53  
   51    52    57    58    60    71    59    53    54    55    56  
   52    57    58    60    61    62    65    71    63    59    53    54    55    56  
   57    58    60    71    59    53  
   54    55    56    57    59  
   55    56    59  
   56    59  
   59  
   58    60    61    62    65    66    71    67    63    64    70    59  
   60    61    62    65    71    63    59  
   60    71  
   61    62    65    66    71    67    68    69    63    64    70    72  
   62    65    71    67    63    64    70  
   65    66    71    67    68    69    63    64    70  
   64    70    72    73    74    65    67    71  
   70    72  
   66    71    67    68    69  
   71    67  
   68    69    71  
   69  
    0  
   72    73    74    75    76  
    0  
   73    74    75    76    77    81  
   74    75    76  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   440.000  1.360
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   275.000  1.510
   50    51   260.000  1.509
   50    59   335.000  1.432
   50    53   275.000  1.510
   51    52   340.000  1.088
   51    57   275.000  1.510
   51    59   335.000  1.432
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    71   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    71   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    41   268.000  1.529
   63    70   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    44    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    80.00000  120.01400
   38    41    63    70.00000  112.02700
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   39    44    45    90.00000  111.18400
   44    39    40    65.00000  121.00000
   44    45    46    35.00000  109.50000
   44    45    47    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    70.00000  112.37300
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  120.94000
   47    50    59    80.00000  116.47100
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  109.38400
   50    47    49    45.00000  109.38400
   50    51    52    37.50000  117.20000
   50    51    57    60.00000  120.94000
   50    51    59    15.00000   60.43100
   50    59    51    15.00000   59.14900
   50    53    54    45.00000  109.38400
   50    53    55    45.00000  109.38400
   50    53    56    45.00000  109.38400
   51    57    58    45.00000  109.38400
   51    57    60    70.00000  112.37300
   51    57    71    50.00000  109.50000
   57    51    52    40.00000  115.04500
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    58.35000  112.70000
   57    71    65    83.00000  116.90000
   60    57    58    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    41    58.35000  112.70000
   60    63    70    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    71    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   71    57    58    35.00000  109.50000
   71    57    60    50.00000  109.50000
   71    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    41    42    37.50000  110.70000
   63    41    43    37.50000  110.70000
   63    70    72    83.00000  116.90000
   41    38    39    70.00000  124.00000
   41    63    64    37.50000  110.70000
   43    41    42    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    41    50.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    74    90.00000  111.29400
   72    74    75    40.00000  117.72500
   72    74    76    65.00000  118.96000
   74    72    73    80.00000  123.72100
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   59    50    51    15.00000   60.43100
   59    51    52    50.00000  114.27700
   59    51    57    80.00000  116.47100
   53    50    51    60.00000  120.94000
   53    50    59    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    44   0.56750  1.0 1.0
   29    33    45    44  -0.07550 -1.0 2.0
   29    33    45    44   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    44   7.00000 -1.0 2.0
   33    38    41    63   0.46850  1.0 1.0
   33    38    41    63   0.08550 -1.0 2.0
   33    38    41    63   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.15000  1.0 3.0
   33    45    47    50   0.47050  1.0 1.0
   33    45    47    50   0.03900 -1.0 2.0
   33    45    47    50   0.20100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    44   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.15000  1.0 3.0
   38    33   -45    44   0.61850  1.0 1.0
   38    33   -45    44  -0.22750 -1.0 2.0
   38    33   -45    44   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.34400  1.0 1.0
   38    33    45    47   0.09450 -1.0 2.0
   38    33    45    47   0.11100  1.0 3.0
   38    39   -44    45  -2.26850  1.0 1.0
   38    39   -44    45   3.39050 -1.0 2.0
   39    38    41    63   0.09850  1.0 1.0
   39    38    41    63   0.15250 -1.0 2.0
   39    38    41    63  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    44   -45    33  -0.46850  1.0 1.0
   39    44   -45    33   0.09300 -1.0 2.0
   39    44   -45    33  -0.12850  1.0 3.0
   39    44    45    46   0.08050  1.0 3.0
   39    44    45    47  -0.46850  1.0 1.0
   39    44    45    47   0.09300 -1.0 2.0
   39    44    45    47  -0.12850  1.0 3.0
   40    39    44    45   2.00000 -1.0 2.0
   44    45    47    48   0.23400  1.0 3.0
   44    45    47    49   0.23400  1.0 3.0
   44    45    47    50  -0.26800  1.0 1.0
   44    45    47    50   0.69150 -1.0 2.0
   44    45    47    50  -0.48750  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    50    51   0.07850  1.0 1.0
   45    47    50    51  -0.03950 -1.0 2.0
   45    47    50    51   0.67350  1.0 3.0
   45    47    50    59   0.02550  1.0 1.0
   45    47    50    59  -0.02600 -1.0 2.0
   45    47    50    59   1.20400  1.0 3.0
   45    47    50    53   0.56750  1.0 1.0
   45    47    50    53  -0.07550 -1.0 2.0
   45    47    50    53   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    57   0.56750  1.0 1.0
   47    50    51    57  -0.07550 -1.0 2.0
   47    50    51    57   0.20000  1.0 3.0
   47    50   -51    59   0.02550  1.0 1.0
   47    50   -51    59  -0.02600 -1.0 2.0
   47    50   -51    59   1.20400  1.0 3.0
   47    50   -59    51   0.06250  1.0 1.0
   47    50   -59    51  -0.01100 -1.0 2.0
   47    50   -59    51   0.28050  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50    53    56   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    59   0.23400  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    59   0.23400  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    60   0.07850  1.0 1.0
   50    51    57    60  -0.03950 -1.0 2.0
   50    51    57    60   0.67350  1.0 3.0
   50    51    57    71  -0.26800  1.0 1.0
   50    51    57    71   0.69150 -1.0 2.0
   50    51    57    71  -0.48750  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.34400  1.0 1.0
   51    57    60    62   0.09450 -1.0 2.0
   51    57    60    62   0.11100  1.0 3.0
   51    57    60    63   0.47050  1.0 1.0
   51    57    60    63   0.03900 -1.0 2.0
   51    57    60    63   0.20100  1.0 3.0
   51    57    71    65  -0.25900  1.0 1.0
   51    57    71    65  -0.47000 -1.0 2.0
   51    57    71    65   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    51    57    71   0.23400  1.0 3.0
   52    51   -59    50   0.36800  1.0 3.0
   57    51   -59    50   0.06250  1.0 1.0
   57    51   -59    50  -0.01100 -1.0 2.0
   57    51   -59    50   0.28050  1.0 3.0
   57    60   -62    65   0.09700  1.0 1.0
   57    60   -62    65   0.15600 -1.0 2.0
   57    60   -62    65  -0.50800  1.0 3.0
   57    60    62    67   0.09850  1.0 1.0
   57    60    62    67   0.15250 -1.0 2.0
   57    60    62    67  -0.50650  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    41   0.56750  1.0 1.0
   57    60    63    41  -0.07550 -1.0 2.0
   57    60    63    41   0.20000  1.0 3.0
   57    60    63    70   0.62750  1.0 1.0
   57    60    63    70  -0.30950 -1.0 2.0
   57    60    63    70   0.27300  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    71    65   0.08050  1.0 3.0
   60    57   -71    65  -0.25900  1.0 1.0
   60    57   -71    65  -0.47000 -1.0 2.0
   60    57   -71    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    71  -0.15000  1.0 1.0
   60    62   -65    71   0.89550 -1.0 2.0
   60    62   -65    71  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    41    38   0.34400  1.0 1.0
   60    63    41    38   0.09450 -1.0 2.0
   60    63    41    38   0.11100  1.0 3.0
   60    63    41    42   0.15000  1.0 3.0
   60    63    41    43   0.15000  1.0 3.0
   60    63    70    72  -0.25900  1.0 1.0
   60    63    70    72  -0.47000 -1.0 2.0
   60    63    70    72   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    41   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    41   0.34400  1.0 1.0
   62    60    63    41   0.09450 -1.0 2.0
   62    60    63    41   0.11100  1.0 3.0
   62    60    63    70   0.61850  1.0 1.0
   62    60    63    70  -0.22750 -1.0 2.0
   62    60    63    70   0.15300  1.0 3.0
   62    65   -71    57   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    71    57   3.00000 -1.0 2.0
   71    57    60    61   0.23400  1.0 3.0
   71    57   -60    62   0.61850  1.0 1.0
   71    57   -60    62  -0.22750 -1.0 2.0
   71    57   -60    62   0.15300  1.0 3.0
   71    57    60    63   0.62750  1.0 1.0
   71    57    60    63  -0.30950 -1.0 2.0
   71    57    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    71  -0.56150  1.0 1.0
   67    62    65    71   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    72    73   3.00000 -1.0 2.0
   63    70    72    74   2.00000 -1.0 2.0
   64    63    41    38   0.15000  1.0 3.0
   64    63    41    42   0.15000  1.0 3.0
   64    63    41    43   0.15000  1.0 3.0
   64    63    70    72   0.08050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    63    70    72  -0.25900  1.0 1.0
   41    63    70    72  -0.47000 -1.0 2.0
   41    63    70    72   0.11750  1.0 3.0
   70    63    41    38   0.61850  1.0 1.0
   70    63    41    38  -0.22750 -1.0 2.0
   70    63    41    38   0.15300  1.0 3.0
   70    63    41    42   0.23400  1.0 3.0
   70    63    41    43   0.23400  1.0 3.0
   70    72    74    75   1.63100 -1.0 2.0
   70    72    74    76  -0.56150  1.0 1.0
   70    72    74    76   2.19150 -1.0 2.0
   72    74    76    77   7.00000 -1.0 2.0
   72    74    76    81   7.00000 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   1.00000 -1.0 2.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   59    50   -51    52   0.23400  1.0 3.0
   59    50   -51    57   0.02550  1.0 1.0
   59    50   -51    57  -0.02600 -1.0 2.0
   59    50   -51    57   1.20400  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    55   0.23400  1.0 3.0
   59    50    53    56   0.23400  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    60   0.02550  1.0 1.0
   59    51    57    60  -0.02600 -1.0 2.0
   59    51    57    60   1.20400  1.0 3.0
   59    51    57    71   1.11900  1.0 1.0
   59    51    57    71  -1.16350 -1.0 2.0
   59    51    57    71  -0.34150  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50   -51    59   0.02550  1.0 1.0
   53    50   -51    59  -0.02600 -1.0 2.0
   53    50   -51    59   1.20400  1.0 3.0
   53    50   -59    51   0.06250  1.0 1.0
   53    50   -59    51  -0.01100 -1.0 2.0
   53    50   -59    51   0.28050  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    41    38    39   1.10000 -1.0 2.0
   40    44    39    38   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    71    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   72    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
