* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    165    256     484
    1     0 S   NP   _N1_     1    29.25908    96.56450   -14.85065
    2     1 S   H    _HN1     2     1.02770    59.25348   -60.97570
    3     1 S   H    _H1_     3     1.02937   103.87163    42.45794
    4     1 S   H    _H2_     4     1.02833    52.32895   143.27682
    5     1 S   CT   _CA1     5     1.50206   145.35459  -146.23212
    6     5 S   HC   _HA1     6     1.09584   105.09174     5.52237
    7     5 S   CO3  _C1_     7     1.53853   112.43031  -114.19248
    8     7 S   O2Z  _O11     8     1.26346   115.03048   -37.69412
    9     7 S   O2Z  _O12     9     1.26255   114.94262   141.15757
   10     5 S   CT   _CB1    10     1.53158   107.44232   123.21051
   11    10 S   HC   HB11    11     1.09818   109.22530   -50.72842
   12    10 S   HC   HB12    12     1.09776   110.35290    65.60129
   13    10 S   CT   _CG1    13     1.53079   112.80741  -171.80056
   14    13 S   HC   HG11    14     1.09528   110.48039   -63.08582
   15    13 S   HC   HG12    15     1.09660   109.94855    55.79779
   16    13 S   C    _CD1    16     1.51952   112.58895   175.73364
   17    16 S   O    _OE1    17     1.22710   123.21454   -10.94818
   18    16 S   N    _N2_    18     1.38648   111.64383   170.35926
   19    18 S   H    _HN2    19     1.01610   118.75497    -1.44334
   20    18 S   CT1  _CA2    20     1.46317   123.82317   177.19795
   21    20 S   HC   _HA2    21     1.09751   109.15453   -18.56923
   22    20 S   C    _C2_    22     1.53527   107.73427  -133.74143
   23    22 S   O    _O2_    23     1.22993   122.40582  -144.61728
   24    20 S   CT   _CB2    32     1.53549   111.90769   104.08305
   25    24 S   HC   HB21    33     1.09419   110.13803    51.75718
   26    24 S   HC   HB22    34     1.09525   110.40780   169.65594
   27    22 S   N    _N3_    24     1.38560   113.23952    42.66013
   28    27 S   H    _HN3    25     1.01533   118.92594    -0.44102
   29    24 S   S    _SG2    35     1.82922   111.65709   -72.62587
   30    27 S   CT   _CA3    26     1.45456   123.45352   175.12331
   31    30 S   HC   HA31    27     1.09522   109.23141    24.24967
   32    30 S   HC   HA32    28     1.09494   107.11187   141.27029
   33    29 S   CT   _C23    36     1.86738   102.03087   130.64313
   34    30 S   CO3  _C3_    29     1.52936   113.16485   -99.21652
   35    34 S   O2Z  _O31    30     1.26399   115.44449   -42.90334
   36    34 S   O2Z  _O32    31     1.26360   114.95175   138.03498
   37    33 S   C    _C24    37     1.52778   103.75692  -172.67766
   38    37 S   O    _O37    38     1.22355   124.02823   -94.02120
   39    33 S   CT   _C22    86     1.53360   109.46329    66.35784
   40    39 S   HC   _H25    87     1.09743   110.98063    67.41001
   41    39 S   HC   _H26    88     1.09680   110.53125   -50.28495
   42    37 S   N    _N4_    39     1.39214   107.03299    87.91958
   43    42 S   CA   _C13    40     1.42969   124.61641  -165.85644
   44    42 S   C    _C17    73     1.38882   111.21072    15.09496
   45    44 S   O    _O36    74     1.22256   129.79177  -174.89174
   46    43 S   CA   _C12    41     1.40726   120.85222  -156.96761
   47    46 S   HA   _H17    42     1.08522   119.87263     4.28560
   48    33 S   CT   _C18    75     1.53402   112.79823   -64.33996
   49    48 S   HC   _H3_    76     1.09340   112.56632    38.87002
   50    46 S   CA   _C11    43     1.40486   121.75137  -178.19376
   51    48 S   CT   _C19    77     1.53532   114.48915   164.30932
   52    51 S   HC   _H19    78     1.09724   109.19801  -166.52357
   53    51 S   HC   _H20    79     1.09850   110.74992    77.65224
   54    50 S   CA   _C16    44     1.39678   119.33161    -2.54407
   55    54 S   Cl   Cl1_    45     1.72706   121.42441  -178.86512
   56    50 S   OS   _O35    50     1.37269   123.24039   179.14637
   57    51 S   CT   _C20    80     1.52055   112.73365   -44.51039
   58    57 S   HC   _H21    81     1.09667   109.89574   -65.03944
   59    57 S   HC   _H22    82     1.09581   109.53584   177.58443
   60    54 S   CA   _C15    46     1.39131   120.02506     2.61644
   61    60 S   HA   _H18    47     1.08675   121.00998   177.80331
   62    56 S   CT   _C10    51     1.42450   115.16937   -32.92534
   63    62 S   HC   _H15    52     1.09661   110.86736   -42.26823
   64    62 S   HC   _H16    53     1.09484   109.82460    81.97122
   65    57 S   CT   _C21    83     1.52159   110.58763    56.65497
   66    65 S   HC   _H23    84     1.09658   109.95400    61.08614
   67    65 S   HC   _H24    85     1.09604   109.60562   178.24498
   68    43 S   CA   _C14    48     1.40314   122.08290    24.41975
   69    68 S   F    F1__    49     1.34053   121.27389     4.19750
   70    62 S   CO4  _C9_    54     1.51081   108.22697  -160.27224
   71    70 S   O    _O34    55     1.22319   125.37136    -4.79097
   72    70 S   OS   _O33    56     1.36553   108.85052   175.09404
   73    72 S   CT   _C8_    57     1.43586   115.68699   179.76761
   74    73 S   HC   _H13    58     1.09593   109.20965   -61.53593
   75    73 S   HC   _H14    59     1.09604   109.38361    58.40443
   76    73 S   CT   _C7_    60     1.52413   107.90745   178.42480
   77    76 S   HC   _H11    61     1.09710   109.27076   -57.96946
   78    76 S   HC   _H12    62     1.09726   109.31881    57.42371
   79    76 S   CT   _C6_    63     1.52676   111.71212   179.78239
   80    79 S   HC   _H9_    64     1.09682   109.57605    58.53880
   81    79 S   HC   _H10    65     1.09681   109.57776   -58.73625
   82    79 S   CT   _C5_    66     1.52839   111.30037   179.89347
   83    82 S   HC   _H7_    67     1.09625   109.86441   -58.84111
   84    82 S   HC   _H8_    68     1.09624   109.86475    58.87953
   85    82 S   CT   _C4_    69     1.52034   111.49782  -179.98022
   86    85 S   HC   _H4_    70     1.09469   111.00106   -60.25792
   87    85 S   HC   _H5_    71     1.09469   111.00085    60.26216
   88    85 S   HC   _H6_    72     1.09449   110.26118  -180.00000
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3   9   4   8
   4  10   8   5   4   7   4   7   5   4   3   3   2   6   4   3
   2   1   1   1   1   6   2   7   9   5   4   9   5   4   9   5
   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    51    65    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    51    52    53    57    65    66    67    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    68    44    45    48    49    51    65    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    51    57    58    59    65    66    67  
   41    48    57    65    66    67  
   48    57    65    66    67  
   43    46    47    50    60    68    69    44    45    48    49    51  
   46    47    50    54    60    61    68    69    56    44    45    48  
   45    48    49    51    52    53    57    46    68  
   48    49    51  
   47    50    54    55    60    68    69    56    62  
   50    54    68    56  
   49    51    52    53    57    58    59    65  
   51    52    53    57  
   54    55    60    61    68    56    62    63    64    70  
   52    53    57    58    59    65    66    67  
   53    57    58    59    65  
   57    58    59    65  
   55    60    61    68    69    56    62  
   60    61    68    56  
   62    63    64    70    71    72    60  
   58    59    65    66    67  
   59    65    66    67  
   65    66    67  
   61    68    69  
   68    69  
   63    64    70    71    72    73  
   64    70    71    72  
   70    71    72  
   66    67  
   67  
    0  
   69  
    0  
   71    72    73    74    75    76  
   72    73  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   0.007500   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    68   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   300.000  1.725
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   420.000  1.354
   56    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   317.000  1.522
   70    71   570.000  1.229
   70    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    39   268.000  1.529
   39    40   340.000  1.090
   39    41   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    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    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    68    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    68    60    63.00000  120.00000
   43    68    69    80.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    56    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    75.00000  120.00000
   50    54    60    63.00000  120.00000
   50    56    62    75.00000  111.00000
   54    60    61    35.00000  120.00000
   54    60    68    63.00000  120.00000
   60    54    55    75.00000  120.00000
   60    68    69    80.00000  120.00000
   68    43    46    63.00000  120.00000
   68    60    61    35.00000  120.00000
   56    50    54    70.00000  120.00000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    70    90.00000  108.74100
   62    70    71    80.00000  120.40000
   62    70    72    81.00000  111.40000
   64    62    63    33.00000  107.80000
   70    62    63    35.00000  109.50000
   70    62    64    35.00000  109.50000
   70    72    73    83.00000  116.90000
   72    70    71    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    50.00000  109.50000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    51    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    57    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    65    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    39    58.35000  112.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    41    37.50000  110.70000
   67    65    66    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    65    66    37.50000  110.70000
   39    65    67    37.50000  110.70000
   41    39    40    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    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    57   0.56750  1.0 1.0
   33    48    51    57  -0.07550 -1.0 2.0
   33    48    51    57   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    51  -0.95700  1.0 1.0
   37    33    48    51  -0.18200 -1.0 2.0
   37    33    48    51   0.29450  1.0 3.0
   37    33    39    65  -0.95700  1.0 1.0
   37    33    39    65  -0.18200 -1.0 2.0
   37    33    39    65   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    68   1.00100  1.0 1.0
   37    42    43    68   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    68    60   3.62500 -1.0 2.0
   42    43    68    69   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    51   1.39750  1.0 1.0
   42    44    48    51  -0.07950 -1.0 2.0
   42    44    48    51  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46    50    56   3.62500 -1.0 2.0
   46    43    68    60   3.62500 -1.0 2.0
   46    43    68    69   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50   -54    60   3.62500 -1.0 2.0
   46    50    56    62   1.63200 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    56   3.62500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    60    68   3.62500 -1.0 2.0
   50    56    62    63   0.08050  1.0 3.0
   50    56    62    64   0.08050  1.0 3.0
   50    56    62    70  -0.25600  1.0 1.0
   50    56    62    70  -0.40050 -1.0 2.0
   50    56    62    70   0.34700  1.0 3.0
   54    50    56    62   1.63200 -1.0 2.0
   54    60   -68    43   3.62500 -1.0 2.0
   54    60    68    69   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    68   3.62500 -1.0 2.0
   61    60    68    43   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   68    43    46    47   3.62500 -1.0 2.0
   68    43   -46    50   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    60   3.62500 -1.0 2.0
   56    62    70    71   0.30150 -1.0 2.0
   56    62    70    72   0.40000  1.0 3.0
   62    70    72    73   1.63150  1.0 1.0
   62    70    72    73   2.92000 -1.0 2.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   64    62    70    71   0.00000  1.0 1.0
   64    62    70    72   0.00000  1.0 1.0
   70    72    73    74   0.08050  1.0 3.0
   70    72    73    75   0.08050  1.0 3.0
   70    72    73    76  -0.25900  1.0 1.0
   70    72    73    76  -0.47000 -1.0 2.0
   70    72    73    76   0.11750  1.0 3.0
   71    70    72    73   3.00000 -1.0 2.0
   72    73    76    77   0.23400  1.0 3.0
   72    73    76    78   0.23400  1.0 3.0
   72    73    76    79   0.62750  1.0 1.0
   72    73    76    79  -0.30950 -1.0 2.0
   72    73    76    79   0.27300  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    68   1.00100  1.0 1.0
   44    42    43    68   0.85050 -1.0 2.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    57  -0.95700  1.0 1.0
   44    48    51    57  -0.18200 -1.0 2.0
   44    48    51    57   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    65   0.56750  1.0 1.0
   48    33    39    65  -0.07550 -1.0 2.0
   48    33    39    65   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    59   0.15000  1.0 3.0
   48    51   -57    65   0.56750  1.0 1.0
   48    51   -57    65  -0.07550 -1.0 2.0
   48    51   -57    65   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    57   0.15000  1.0 3.0
   51    57    65    66   0.15000  1.0 3.0
   51    57    65    67   0.15000  1.0 3.0
   51    57    65    39   0.56750  1.0 1.0
   51    57    65    39  -0.07550 -1.0 2.0
   51    57    65    39   0.20000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    65   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    65   0.15000  1.0 3.0
   57    65   -39    33   0.56750  1.0 1.0
   57    65   -39    33  -0.07550 -1.0 2.0
   57    65   -39    33   0.20000  1.0 3.0
   57    65    39    40   0.15000  1.0 3.0
   57    65    39    41   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    39   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    39   0.15000  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    41   0.15000  1.0 3.0
   67    65    39    33   0.15000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    51   0.56750  1.0 1.0
   39    33   -48    51  -0.07550 -1.0 2.0
   39    33   -48    51   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    68    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   54    56    50    46   4.00000 -1.0 2.0
   60    55    54    50   4.00000 -1.0 2.0
   68    61    60    54   1.10000 -1.0 2.0
   60    69    68    43   4.00000 -1.0 2.0
   62    72    70    71  10.50000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
