* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    247     474
    1     0 S   NP   _N1_     1    29.09257    93.11416   -23.23212
    2     1 S   H    _HN1     2     1.02820    17.87764   147.90725
    3     1 S   H    _H1_     3     1.02775   101.60590   -99.13607
    4     1 S   H    _H2_     4     1.02959    94.07943    10.51242
    5     1 S   CT   _CA1     5     1.50193   127.94426   130.25430
    6     5 S   HC   _HA1     6     1.09566   105.22678    65.08932
    7     5 S   CO3  _C1_     7     1.53864   112.44852   -55.03664
    8     7 S   O2Z  _O11     8     1.26375   115.07775   -38.47313
    9     7 S   O2Z  _O12     9     1.26259   114.92347   140.48196
   10     5 S   CT   _CB1    10     1.52981   107.24076  -176.98027
   11    10 S   HC   HB11    11     1.09827   109.49794   -49.61981
   12    10 S   HC   HB12    12     1.09570   110.04431    66.77466
   13    10 S   CT   _CG1    13     1.52914   113.13432  -170.97966
   14    13 S   HC   HG11    14     1.09575   110.56969   -62.42968
   15    13 S   HC   HG12    15     1.09634   109.98844    56.97501
   16    13 S   C    _CD1    16     1.51807   112.07731   177.53725
   17    16 S   O    _OE1    17     1.22736   123.30216     1.47127
   18    16 S   N    _N2_    18     1.38658   111.74663  -178.82597
   19    18 S   H    _HN2    19     1.01580   119.15250     1.77520
   20    18 S   CT1  _CA2    20     1.46083   123.12284  -178.47556
   21    20 S   HC   _HA2    21     1.09589   109.23385    -7.07593
   22    20 S   C    _C2_    22     1.53432   108.99018  -122.33154
   23    22 S   O    _O2_    23     1.23037   122.05057  -148.41812
   24    20 S   CT   _CB2    32     1.53415   111.71119   115.04083
   25    24 S   HC   HB21    33     1.09657   109.55922    64.42046
   26    24 S   HC   HB22    34     1.09572   110.89232  -178.26878
   27    22 S   N    _N3_    24     1.38455   113.54122    39.13844
   28    27 S   H    _HN3    25     1.01510   118.92928    -0.84116
   29    24 S   S    _SG2    35     1.82804   114.62028   -55.15671
   30    27 S   CT   _CA3    26     1.45448   123.50711   174.78774
   31    30 S   HC   HA31    27     1.09520   109.29172    23.35692
   32    30 S   HC   HA32    28     1.09497   107.11170   140.39776
   33    29 S   CT   _C22    36     1.83033    99.96341   -68.44776
   34    33 S   HC   _H3_    37     1.09155   107.98841    58.44750
   35    33 S   HC   _H4_    38     1.09455   108.15819   -58.90300
   36    30 S   CO3  _C3_    29     1.52932   113.07401  -100.13808
   37    36 S   O2Z  _O31    30     1.26404   115.41133   -43.79783
   38    36 S   O2Z  _O32    31     1.26353   114.97371   137.11402
   39    33 S   CT   _C23    39     1.53915   110.89039   178.75290
   40    39 S   HC   _H52    40     1.09817   107.36191   -44.61235
   41    39 S   CO4  _C12    41     1.52834   111.64912    69.91333
   42    41 S   O    _O23    42     1.22370   125.28356    20.05631
   43    39 S   CT   _C16    48     1.56724   113.64854  -164.22672
   44    43 S   HC   _H42    49     1.10045   105.92433  -166.62893
   45    41 S   OS   _O28    43     1.36711   109.39728  -159.73863
   46    43 S   CT   _C17    50     1.54555   111.70401    77.33212
   47    46 S   HC   _H43    51     1.09538   109.77661   -61.48419
   48    43 S   CT   _C18    65     1.54713   114.29151   -48.70516
   49    48 S   HC   _H44    66     1.09541   110.03633    59.33802
   50    45 S   CT   _C20    44     1.43029   115.23279   179.93744
   51    50 S   HC   _H45    45     1.09325   108.10048   179.94065
   52    50 S   HC   _H46    46     1.09423   110.27302    61.27800
   53    50 S   HC   _H47    47     1.09420   110.29693   -61.35879
   54    46 S   CT   _C13    52     1.53418   110.66959   176.01774
   55    54 S   HC   _H37    53     1.09818   109.34763   179.72804
   56    54 S   HC   _H38    54     1.10032   108.18097   -66.83537
   57    48 S   OH   _O25    67     1.42886   109.01374   -57.12532
   58    57 S   HO   _H53    68     0.97248   108.23212   -62.41248
   59    46 S   OS   _O27    77     1.44678   108.24347    56.66550
   60    54 S   CT   _C19    55     1.54595   114.44078    55.91875
   61    59 S   CO4  _C11    78     1.35938   117.55476  -160.61273
   62    61 S   O    _O22    79     1.22224   126.69870    -5.02605
   63    60 S   CT   _C14    56     1.54031   110.32936    66.40703
   64    63 S   HC   _H39    57     1.09411   112.95543   -53.10412
   65    63 S   HC   _H40    58     1.09691   110.98301    65.72465
   66    60 S   CM   _C9_    72     1.53427   105.74733  -177.39616
   67    66 S   HC   _H36    73     1.09073   115.33933   -69.08945
   68    61 S   CM   _C10    80     1.48405   109.17364   174.95970
   69    63 S   OS   _O24    59     1.44370   113.49831  -174.16699
   70    66 S   CM   _C7_    74     1.33916   128.54074   109.47074
   71    70 S   HC   _H32    75     1.08558   119.94399  -179.38388
   72    70 S   HC   _H33    76     1.08247   123.07990    -0.01978
   73    68 S   CM   _C8_    81     1.34103   116.80875   146.18124
   74    73 S   HC   _H34    82     1.08559   120.87155   178.93027
   75    73 S   HC   _H35    83     1.08536   122.21021    -1.10127
   76    68 S   CT   _C21    84     1.49711   119.72335   -35.32674
   77    76 S   HC   _H48    85     1.09528   111.48978  -176.84080
   78    76 S   HC   _H49    86     1.09479   111.03588    62.60197
   79    69 S   CO4  _C5_    60     1.35445   124.29891    33.73954
   80    79 S   O    _O21    61     1.22698   120.80230   171.22222
   81    76 S   OH   _O26    87     1.42210   109.21834   -57.53264
   82    81 S   HO   _H54    88     0.97231   107.10386  -175.75499
   83    79 S   CM   _C4_    62     1.48242   116.65525   -10.54003
   84    60 S   CT   _C15    63     1.54782   110.12924   -52.20679
   85    84 S   HC   _H41    64     1.10016   108.61481   -67.89233
   86    83 S   CM   _C6_    69     1.34389   116.82602  -165.45594
   87    86 S   HC   _H30    70     1.08554   120.88632   178.52873
   88    86 S   HC   _H31    71     1.08528   122.72274    -1.52020
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  15   7  10   3  17   8   4  15   7  13
   6   3   2   1   1  15   6   5   5   1   6  14   9   3  11   5
   4   8   4   8   5   3   1   1   6   2   1   4   3   2   7   3
   1   1   5   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44    46    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    50    43    44    46    47    54    84    48    49    57    59  
   41    42    45    43    44    46    48  
   42    45    50    51    52    53    43    44    46    48  
   45    50    43  
   44    46    47    54    55    56    60    83    84    85    48    49    57    58    59    61    45  
   46    47    54    84    48    49    57    59  
   50    51    52    53  
   47    54    55    56    60    63    84    48    49    57    66    59    61    62    68  
   54    55    56    60    48    59    61  
   49    57    58    86    66    59    54    60    63    79    83    84    85  
   57    58    60    83    84    85  
   51    52    53  
   52    53  
   53  
    0  
   55    56    60    63    64    65    69    83    84    85    66    67    70    59    61  
   56    60    63    84    66    59  
   60    63    84    66    59  
   58    60    83    84    85  
   84  
   61    62    68    73    76    60  
   63    64    65    69    79    83    84    85    86    66    67    70    71    72  
   62    68    73    74    75    76    77    78    81  
   68    73    76  
   64    65    69    79    80    83    84    85    66    67    70  
   65    69    79    84    66  
   69    79    84    66  
   67    70    71    72    69    83    84    85  
   70    71    72    84  
   73    74    75    76    77    78    81    82  
   79    80    83    84    86  
   71    72    84  
   72  
    0  
   74    75    76    77    78    81  
   75    76  
   76  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    86    87    88  
   83    84    86  
   82  
    0  
   84    85    86    87    88  
   85    86    87    88  
   86  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   268.000  1.529
   46    47   340.000  1.090
   46    54   268.000  1.529
   46    59   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    63   268.000  1.529
   60    84   268.000  1.529
   60    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   320.000  1.410
   69    79   214.000  1.327
   79    80   570.000  1.229
   79    83   320.000  1.462
   83    84   317.000  1.510
   83    86   549.000  1.340
   84    85   340.000  1.090
   84    48   268.000  1.529
   48    49   340.000  1.090
   48    57   320.000  1.410
   57    58   553.000  0.945
   86    87   340.000  1.080
   86    88   340.000  1.080
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    72   340.000  1.080
   59    61   214.000  1.327
   61    62   570.000  1.229
   61    68   320.000  1.462
   68    73   549.000  1.340
   68    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   39    43    48    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    50    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    46    47    37.50000  110.70000
   43    46    54    58.35000  112.70000
   43    46    59    50.00000  109.50000
   43    48    84    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    57    50.00000  109.50000
   46    43    44    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    60    58.35000  112.70000
   46    59    61    83.00000  116.90000
   54    46    47    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    60    84    58.35000  112.70000
   54    60    66    70.00000  112.02700
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    69    50.00000  109.50000
   60    84    83    70.00000  112.02700
   60    84    85    37.50000  110.70000
   60    84    48    58.35000  112.70000
   60    66    67    35.00000  117.00000
   60    66    70    70.00000  124.00000
   63    69    79    83.00000  116.90000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    79    80    83.00000  123.40000
   69    79    83    90.00000  111.29400
   79    83    84    65.00000  116.34900
   79    83    86    65.00000  118.96000
   83    79    80    80.00000  123.72100
   83    84    85    35.00000  109.50000
   83    84    48    70.00000  112.02700
   83    86    87    35.00000  120.00000
   83    86    88    35.00000  120.00000
   84    60    63    58.35000  112.70000
   84    48    49    37.50000  110.70000
   84    48    57    50.00000  109.50000
   48    43    44    37.50000  110.70000
   48    43    46    58.35000  112.70000
   48    84    85    37.50000  110.70000
   48    57    58    55.00000  108.50000
   57    48    49    35.00000  109.50000
   86    83    84    70.00000  124.00000
   88    86    87    35.00000  117.00000
   66    60    63    70.00000  112.02700
   66    60    84    70.00000  112.02700
   66    70    71    35.00000  120.00000
   66    70    72    35.00000  120.00000
   70    66    67    35.00000  120.00000
   72    70    71    35.00000  117.00000
   59    46    47    35.00000  109.50000
   59    46    54    50.00000  109.50000
   59    61    62    83.00000  123.40000
   59    61    68    90.00000  111.29400
   61    68    73    65.00000  118.96000
   61    68    76    65.00000  116.34900
   68    61    62    80.00000  123.72100
   68    73    74    35.00000  120.00000
   68    73    75    35.00000  120.00000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    81    90.00000  110.39200
   75    73    74    35.00000  117.00000
   76    68    73    70.00000  124.00000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    48   0.56750  1.0 1.0
   33    39    43    48  -0.07550 -1.0 2.0
   33    39    43    48   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    45    50   1.63150  1.0 1.0
   39    41    45    50   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    54   0.56750  1.0 1.0
   39    43    46    54  -0.07550 -1.0 2.0
   39    43    46    54   0.20000  1.0 3.0
   39    43    46    59   0.62750  1.0 1.0
   39    43    46    59  -0.30950 -1.0 2.0
   39    43    46    59   0.27300  1.0 3.0
   39    43    48    84   0.56750  1.0 1.0
   39    43    48    84  -0.07550 -1.0 2.0
   39    43    48    84   0.20000  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    57   0.86500  1.0 1.0
   39    43    48    57  -0.17500 -1.0 2.0
   39    43    48    57   0.20800  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    39    43    48  -0.95700  1.0 1.0
   41    39    43    48  -0.18200 -1.0 2.0
   41    39    43    48   0.29450  1.0 3.0
   41    45    50    51   0.08050  1.0 3.0
   41    45    50    52   0.08050  1.0 3.0
   41    45    50    53   0.08050  1.0 3.0
   42    41    45    50   3.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    56   0.15000  1.0 3.0
   43    46    54    60   0.56750  1.0 1.0
   43    46    54    60  -0.07550 -1.0 2.0
   43    46    54    60   0.20000  1.0 3.0
   43    46    59    61  -0.25900  1.0 1.0
   43    46    59    61  -0.47000 -1.0 2.0
   43    46    59    61   0.11750  1.0 3.0
   43    48    57    58  -0.11600  1.0 1.0
   43    48    57    58  -0.09450 -1.0 2.0
   43    48    57    58   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    46    59   0.23400  1.0 3.0
   44    43    48    84   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    57   0.23400  1.0 3.0
   46    43    48    84   0.56750  1.0 1.0
   46    43    48    84  -0.07550 -1.0 2.0
   46    43    48    84   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    57   0.86500  1.0 1.0
   46    43    48    57  -0.17500 -1.0 2.0
   46    43    48    57   0.20800  1.0 3.0
   46    54    60    63   0.56750  1.0 1.0
   46    54    60    63  -0.07550 -1.0 2.0
   46    54    60    63   0.20000  1.0 3.0
   46    54   -60    84   0.56750  1.0 1.0
   46    54   -60    84  -0.07550 -1.0 2.0
   46    54   -60    84   0.20000  1.0 3.0
   46    54    60    66   0.34400  1.0 1.0
   46    54    60    66   0.09450 -1.0 2.0
   46    54    60    66   0.11100  1.0 3.0
   46    59    61    62   3.00000 -1.0 2.0
   46    59    61    68   2.00000 -1.0 2.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    60   0.15000  1.0 3.0
   47    46    59    61   0.08050  1.0 3.0
   54    46    59    61  -0.25900  1.0 1.0
   54    46    59    61  -0.47000 -1.0 2.0
   54    46    59    61   0.11750  1.0 3.0
   54    60    63    64   0.15000  1.0 3.0
   54    60    63    65   0.15000  1.0 3.0
   54    60    63    69   0.62750  1.0 1.0
   54    60    63    69  -0.30950 -1.0 2.0
   54    60    63    69   0.27300  1.0 3.0
   54    60    84    83   0.34400  1.0 1.0
   54    60    84    83   0.09450 -1.0 2.0
   54    60    84    83   0.11100  1.0 3.0
   54    60    84    85   0.15000  1.0 3.0
   54    60    84    48   0.56750  1.0 1.0
   54    60    84    48  -0.07550 -1.0 2.0
   54    60    84    48   0.20000  1.0 3.0
   54    60    66    67   0.00000  1.0 1.0
   54    60    66    70   0.09850  1.0 1.0
   54    60    66    70   0.15250 -1.0 2.0
   54    60    66    70  -0.50650  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    84   0.15000  1.0 3.0
   55    54    60    66   0.15000  1.0 3.0
   56    54    60    63   0.15000  1.0 3.0
   56    54    60    84   0.15000  1.0 3.0
   56    54    60    66   0.15000  1.0 3.0
   60    63    69    79  -0.25900  1.0 1.0
   60    63    69    79  -0.47000 -1.0 2.0
   60    63    69    79   0.11750  1.0 3.0
   60    84   -48    43   0.56750  1.0 1.0
   60    84   -48    43  -0.07550 -1.0 2.0
   60    84   -48    43   0.20000  1.0 3.0
   60    84    48    49   0.15000  1.0 3.0
   60    84    48    57   0.86500  1.0 1.0
   60    84    48    57  -0.17500 -1.0 2.0
   60    84    48    57   0.20800  1.0 3.0
   60    66    70    71   7.00000 -1.0 2.0
   60    66    70    72   7.00000 -1.0 2.0
   63    60    84    83   0.34400  1.0 1.0
   63    60    84    83   0.09450 -1.0 2.0
   63    60    84    83   0.11100  1.0 3.0
   63    60    84    85   0.15000  1.0 3.0
   63    60    84    48   0.56750  1.0 1.0
   63    60    84    48  -0.07550 -1.0 2.0
   63    60    84    48   0.20000  1.0 3.0
   63    60    66    67   0.00000  1.0 1.0
   63    60    66    70   0.09850  1.0 1.0
   63    60    66    70   0.15250 -1.0 2.0
   63    60    66    70  -0.50650  1.0 3.0
   63    69    79    80   3.00000 -1.0 2.0
   63    69   -79    83   2.00000 -1.0 2.0
   64    63    69    79   0.08050  1.0 3.0
   65    63    69    79   0.08050  1.0 3.0
   69    79    83    84  -0.15000  1.0 1.0
   69    79    83    84   0.89550 -1.0 2.0
   69    79    83    84  -0.06900  1.0 3.0
   69    79    83    86  -0.56150  1.0 1.0
   69    79    83    86   2.19150 -1.0 2.0
   79    83   -84    60   0.09700  1.0 1.0
   79    83   -84    60   0.15600 -1.0 2.0
   79    83   -84    60  -0.50800  1.0 3.0
   79    83    84    85   0.15000  1.0 3.0
   79    83    84    48   0.09700  1.0 1.0
   79    83    84    48   0.15600 -1.0 2.0
   79    83    84    48  -0.50800  1.0 3.0
   79    83    86    87   7.00000 -1.0 2.0
   79    83    86    88   7.00000 -1.0 2.0
   80    79    83    84  -0.64400  1.0 1.0
   80    79    83    84   0.26850 -1.0 2.0
   80    79    83    86   1.00000 -1.0 2.0
   83    84    48    43   0.34400  1.0 1.0
   83    84    48    43   0.09450 -1.0 2.0
   83    84    48    43   0.11100  1.0 3.0
   83    84    48    49   0.15000  1.0 3.0
   83    84    48    57   1.05650  1.0 1.0
   83    84    48    57   0.15600 -1.0 2.0
   83    84    48    57   0.53150  1.0 3.0
   84    60    63    64   0.15000  1.0 3.0
   84    60    63    65   0.15000  1.0 3.0
   84    60   -63    69   0.62750  1.0 1.0
   84    60   -63    69  -0.30950 -1.0 2.0
   84    60   -63    69   0.27300  1.0 3.0
   84    60    66    67   0.00000  1.0 1.0
   84    60    66    70   0.09850  1.0 1.0
   84    60    66    70   0.15250 -1.0 2.0
   84    60    66    70  -0.50650  1.0 3.0
   84    83    86    87   7.00000 -1.0 2.0
   84    83    86    88   7.00000 -1.0 2.0
   84    48    57    58  -0.11600  1.0 1.0
   84    48    57    58  -0.09450 -1.0 2.0
   84    48    57    58   0.21250  1.0 3.0
   85    84    48    43   0.15000  1.0 3.0
   85    84    48    49   0.15000  1.0 3.0
   85    84    48    57   0.23400  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43   -46    54   0.56750  1.0 1.0
   48    43   -46    54  -0.07550 -1.0 2.0
   48    43   -46    54   0.20000  1.0 3.0
   48    43    46    59   0.62750  1.0 1.0
   48    43    46    59  -0.30950 -1.0 2.0
   48    43    46    59   0.27300  1.0 3.0
   49    48    57    58   0.19450  1.0 3.0
   86    83    84    60   0.09850  1.0 1.0
   86    83    84    60   0.15250 -1.0 2.0
   86    83    84    60  -0.50650  1.0 3.0
   86    83    84    85   0.00000  1.0 1.0
   86    83    84    48   0.09850  1.0 1.0
   86    83    84    48   0.15250 -1.0 2.0
   86    83    84    48  -0.50650  1.0 3.0
   66    60    63    64   0.15000  1.0 3.0
   66    60    63    65   0.15000  1.0 3.0
   66    60    63    69   0.61850  1.0 1.0
   66    60    63    69  -0.22750 -1.0 2.0
   66    60    63    69   0.15300  1.0 3.0
   66    60    84    83   0.31000  1.0 1.0
   66    60    84    83   0.14700 -1.0 2.0
   66    60    84    83   0.07550  1.0 3.0
   66    60    84    85   0.15000  1.0 3.0
   66    60    84    48   0.34400  1.0 1.0
   66    60    84    48   0.09450 -1.0 2.0
   66    60    84    48   0.11100  1.0 3.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    72   7.00000 -1.0 2.0
   59    46    54    55   0.23400  1.0 3.0
   59    46    54    56   0.23400  1.0 3.0
   59    46    54    60   0.62750  1.0 1.0
   59    46    54    60  -0.30950 -1.0 2.0
   59    46    54    60   0.27300  1.0 3.0
   59    61    68    73  -0.56150  1.0 1.0
   59    61    68    73   2.19150 -1.0 2.0
   59    61    68    76  -0.15000  1.0 1.0
   59    61    68    76   0.89550 -1.0 2.0
   59    61    68    76  -0.06900  1.0 3.0
   61    68    73    74   7.00000 -1.0 2.0
   61    68    73    75   7.00000 -1.0 2.0
   61    68    76    77   0.15000  1.0 3.0
   61    68    76    78   0.15000  1.0 3.0
   61    68    76    81   0.09700  1.0 1.0
   61    68    76    81   0.15600 -1.0 2.0
   61    68    76    81  -0.50800  1.0 3.0
   62    61    68    73   1.00000 -1.0 2.0
   62    61    68    76  -0.64400  1.0 1.0
   62    61    68    76   0.26850 -1.0 2.0
   68    76    81    82  -0.07800  1.0 1.0
   68    76    81    82  -0.21500 -1.0 2.0
   68    76    81    82  -0.03150  1.0 3.0
   73    68    76    77   0.00000  1.0 1.0
   73    68    76    78   0.00000  1.0 1.0
   73    68    76    81   0.67800  1.0 1.0
   73    68    76    81   0.47050 -1.0 2.0
   73    68    76    81  -0.62500  1.0 3.0
   76    68    73    74   7.00000 -1.0 2.0
   76    68    73    75   7.00000 -1.0 2.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   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
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   69    83    79    80  10.50000 -1.0 2.0
   79    84    83    86   1.10000 -1.0 2.0
   87    88    86    83   1.10000 -1.0 2.0
   60    67    66    70  15.00000 -1.0 2.0
   71    72    70    66  15.00000 -1.0 2.0
   59    68    61    62  10.50000 -1.0 2.0
   61    76    68    73  15.00000 -1.0 2.0
   74    75    73    68  15.00000 -1.0 2.0
END
