* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    150    210     432
    1     0 S   NP   _N1_     1    30.36745    98.58852   -15.97951
    2     1 S   H    _HN1     2     1.02792    78.08397  -115.87037
    3     1 S   H    _H1_     3     1.02945    55.80041     6.41542
    4     1 S   H    _H2_     4     1.02828    73.45857   131.12272
    5     1 S   CT   _CA1     5     1.50183   165.74656    22.04292
    6     5 S   HC   _HA1     6     1.09549   105.14091   163.84121
    7     5 S   CO3  _C1_     7     1.53895   112.63813    43.60379
    8     7 S   O2Z  _O11     8     1.26400   114.92237   -32.47492
    9     7 S   O2Z  _O12     9     1.26224   115.17691   146.81279
   10     5 S   CT   _CB1    10     1.53112   107.41257   -77.73690
   11    10 S   HC   HB11    11     1.09832   109.75686   -43.69188
   12    10 S   HC   HB12    12     1.09818   110.29425    73.09112
   13    10 S   CT   _CG1    13     1.52958   112.56362  -164.43314
   14    13 S   HC   HG11    14     1.09531   110.81849   -63.12635
   15    13 S   HC   HG12    15     1.09664   109.71192    56.04807
   16    13 S   C    _CD1    16     1.51820   112.18047   176.62327
   17    16 S   O    _OE1    17     1.22716   123.35443     9.10850
   18    16 S   N    _N2_    18     1.38588   111.66211  -171.49045
   19    18 S   H    _HN2    19     1.01590   118.76030     3.79937
   20    18 S   CT1  _CA2    20     1.45987   123.69910   178.31798
   21    20 S   HC   _HA2    21     1.09716   109.45047    10.04154
   22    20 S   C    _C2_    22     1.53882   108.12931  -105.26940
   23    22 S   O    _O2_    23     1.23079   122.38979  -144.85390
   24    20 S   CT   _CB2    32     1.53479   111.77534   132.55916
   25    24 S   HC   HB21    33     1.09262   110.86549    52.42562
   26    24 S   HC   HB22    34     1.09573   109.46208   169.37521
   27    22 S   N    _N3_    24     1.38355   113.89122    42.46079
   28    27 S   H    _HN3    25     1.01525   119.74842    -2.22871
   29    24 S   S    _SG2    35     1.83141   113.83208   -73.65432
   30    27 S   CT   _CA3    26     1.45304   123.22362   177.59572
   31    30 S   HC   HA31    27     1.09547   107.42184   -67.14068
   32    30 S   HC   HA32    28     1.09556   108.10594    49.33723
   33    29 S   CT   _C19    36     1.85815   102.12542    89.00255
   34    33 S   HC   _H3_    37     1.09251   106.07287   -34.01039
   35    30 S   CO3  _C3_    29     1.52974   114.06320   171.39791
   36    35 S   O2Z  _O31    30     1.26382   116.08690    -0.99583
   37    35 S   O2Z  _O32    31     1.26428   114.41579   179.07254
   38    33 S   CT   _C18    38     1.54969   108.23435  -149.84468
   39    38 S   HC   _H47    39     1.09557   109.00126  -177.12506
   40    38 S   HC   _H48    40     1.09707   110.18002   -61.01618
   41    33 S   CT   _C20    71     1.56938   113.18448    84.68183
   42    38 S   CT   _C16    41     1.53824   114.59042    62.69130
   43    42 S   HC   _H43    42     1.09440   108.93967    45.29276
   44    42 S   HC   _H44    43     1.09584   111.23861   -71.55078
   45    41 S   CT   _C12    72     1.53884   113.38324    57.28485
   46    45 S   HC   _H33    73     1.09447   111.90604   -62.16719
   47    45 S   HC   _H34    74     1.09690   110.56588  -179.34121
   48    45 S   HC   _H35    75     1.09382   112.08750    60.49019
   49    41 S   CT   _C17    76     1.55339   113.17294  -178.92444
   50    49 S   HC   _H45    77     1.09849   108.82312   173.37333
   51    49 S   HC   _H46    78     1.09557   110.79204   -70.32590
   52    41 S   OH   _O19    83     1.43581   108.23501   -61.52222
   53    52 S   HO   _H50    84     0.97249   108.27394   177.71715
   54    42 S   CM   _C7_    44     1.51742   111.59259   166.69595
   55    49 S   CT   _C11    79     1.52561   114.65283    53.85280
   56    55 S   HC   _H30    80     1.09383   111.63557   -68.01175
   57    55 S   HC   _H31    81     1.09476   109.90133   173.00891
   58    55 S   HC   _H32    82     1.09414   111.47893    53.58479
   59    54 S   CM   _C5_    45     1.34733   119.52560  -107.34131
   60    59 S   HC   _H23    46     1.08966   117.86318    -1.26331
   61    54 S   CT   _C10    67     1.50329   115.31642    72.07338
   62    61 S   HC   _H27    68     1.09445   110.40833   -69.68258
   63    61 S   HC   _H28    69     1.09168   113.49344   169.28406
   64    61 S   HC   _H29    70     1.09534   110.08786    49.89713
   65    59 S   CT   _C14    47     1.50403   128.34777   176.08904
   66    65 S   HC   _H39    48     1.09299   112.61290     6.74901
   67    65 S   HC   _H40    49     1.09698   107.92020   123.42753
   68    65 S   CT   _C15    50     1.53673   111.84403  -117.17564
   69    68 S   HC   _H41    51     1.09751   109.07318  -175.94286
   70    68 S   HC   _H42    52     1.09773   109.11656   -61.34268
   71    68 S   CM   _C6_    53     1.52006   113.64554    62.38683
   72    71 S   CM   _C4_    54     1.34678   119.44539  -110.49972
   73    72 S   HC   _H22    55     1.08804   119.55146    -1.08282
   74    71 S   CT   _C9_    63     1.50431   115.10195    70.52539
   75    74 S   HC   _H24    64     1.09396   110.46508   -82.35349
   76    74 S   HC   _H25    65     1.09562   110.37760    37.24612
   77    74 S   HC   _H26    66     1.09261   112.95669   155.59017
   78    72 S   CO4  _C8_    56     1.48159   125.21018   176.69133
   79    78 S   O    _O18    57     1.21965   126.02064   -19.91330
   80    78 S   OS   _O20    58     1.36060   107.36863   160.87607
   81    80 S   CT   _C13    59     1.43069   115.18337  -179.96574
   82    81 S   HC   _H36    60     1.09326   108.09482  -177.89002
   83    81 S   HC   _H37    61     1.09415   110.16195    63.42955
   84    81 S   HC   _H38    62     1.09417   110.48037   -59.16042
  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  10   5   4   3
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   8   6   5   2   1  10   3   2   1   1  12   5   4   2   1   1
   8   5   4  10   4   3   9   9   4   4   2   1   1   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    54    41    45    46    47    48    49    50    51    55    52    53  
   38    39    40    42    41    45    49    52  
   36    37  
   37  
    0  
   39    40    42    43    44    54    59    61    41    45    49    52  
   40    42    43    44    54    41  
   42    43    44    54    41  
   45    46    47    48    49    50    51    55    56    57    58    52    53    42  
   43    44    54    59    60    65    61    62    63    64  
   44    54    59    61  
   54    59    61  
   46    47    48    49    50    51    55    52    53  
   47    48    49    52  
   48    49    52  
   49    52  
   50    51    55    56    57    58    52    53  
   51    55    56    57    58    52  
   55    56    57    58    52  
   53    55  
    0  
   59    60    65    66    67    68    61    62    63    64  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    70    71    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    74    75    76    77  
   70    71    72    74  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    81    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81  
   81    82    83    84  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    54   317.000  1.510
   54    59   549.000  1.340
   54    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   320.000  1.462
   78    79   570.000  1.229
   78    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    52   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   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    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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    52    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    54    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    54    59    70.00000  124.00000
   42    54    61    65.00000  117.92700
   44    42    43    33.00000  107.80000
   54    42    43    35.00000  109.50000
   54    42    44    35.00000  109.50000
   54    59    60    35.00000  120.00000
   54    59    65    70.00000  124.00000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    70.00000  124.00000
   68    71    74    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    78    65.00000  118.96000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    80.00000  123.72100
   72    78    80    90.00000  111.29400
   78    72    73    40.00000  117.72500
   78    80    81    83.00000  116.90000
   80    78    79    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    54    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    55    58.35000  112.70000
   41    52    53    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    41    45    50.00000  109.50000
   52    41    49    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    52   0.56750  1.0 1.0
   29    33    41    52  -0.07550 -1.0 2.0
   29    33    41    52   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    54   0.34400  1.0 1.0
   33    38    42    54   0.09450 -1.0 2.0
   33    38    42    54   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    55   0.56750  1.0 1.0
   33    41    49    55  -0.07550 -1.0 2.0
   33    41    49    55   0.20000  1.0 3.0
   33    41    52    53  -0.11600  1.0 1.0
   33    41    52    53  -0.09450 -1.0 2.0
   33    41    52    53   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    52   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    52   0.86500  1.0 1.0
   38    33    41    52  -0.17500 -1.0 2.0
   38    33    41    52   0.20800  1.0 3.0
   38    42    54    59   0.09850  1.0 1.0
   38    42    54    59   0.15250 -1.0 2.0
   38    42    54    59  -0.50650  1.0 3.0
   38    42    54    61   0.46850  1.0 1.0
   38    42    54    61   0.08550 -1.0 2.0
   38    42    54    61   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    54   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    54   0.15000  1.0 3.0
   42    54    59    60   7.00000 -1.0 2.0
   42    54    59    65   7.00000 -1.0 2.0
   42    54    61    62   0.34800  1.0 3.0
   42    54    61    63   0.34800  1.0 3.0
   42    54    61    64   0.34800  1.0 3.0
   43    42    54    59   0.00000  1.0 1.0
   43    42    54    61   0.34800  1.0 3.0
   44    42    54    59   0.00000  1.0 1.0
   44    42    54    61   0.34800  1.0 3.0
   54    59    65    66   0.00000  1.0 1.0
   54    59    65    67   0.00000  1.0 1.0
   54    59    65    68   0.09850  1.0 1.0
   54    59    65    68   0.15250 -1.0 2.0
   54    59    65    68  -0.50650  1.0 3.0
   59    54    61    62   0.00000  1.0 1.0
   59    54    61    63   0.00000  1.0 1.0
   59    54    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.31000  1.0 1.0
   59    65    68    71   0.14700 -1.0 2.0
   59    65    68    71   0.07550  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    71    72   0.09850  1.0 1.0
   65    68    71    72   0.15250 -1.0 2.0
   65    68    71    72  -0.50650  1.0 3.0
   65    68    71    74   0.46850  1.0 1.0
   65    68    71    74   0.08550 -1.0 2.0
   65    68    71    74   0.09800  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    73   7.00000 -1.0 2.0
   68    71    72    78   7.00000 -1.0 2.0
   68    71    74    75   0.34800  1.0 3.0
   68    71    74    76   0.34800  1.0 3.0
   68    71    74    77   0.34800  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    74   0.34800  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    74   0.34800  1.0 3.0
   71    72    78    79   1.00000 -1.0 2.0
   71    72    78    80  -0.56150  1.0 1.0
   71    72    78    80   2.19150 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81   2.00000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   1.63100 -1.0 2.0
   78    80    81    82   0.08050  1.0 3.0
   78    80    81    83   0.08050  1.0 3.0
   78    80    81    84   0.08050  1.0 3.0
   79    78    80    81   3.00000 -1.0 2.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   61    54    59    60   7.00000 -1.0 2.0
   61    54    59    65   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    49    55    56   0.15000  1.0 3.0
   41    49    55    57   0.15000  1.0 3.0
   41    49    55    58   0.15000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    55   0.56750  1.0 1.0
   45    41    49    55  -0.07550 -1.0 2.0
   45    41    49    55   0.20000  1.0 3.0
   45    41    52    53  -0.11600  1.0 1.0
   45    41    52    53  -0.09450 -1.0 2.0
   45    41    52    53   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    52    53  -0.11600  1.0 1.0
   49    41    52    53  -0.09450 -1.0 2.0
   49    41    52    53   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    58   0.15000  1.0 3.0
   52    41    45    46   0.23400  1.0 3.0
   52    41    45    47   0.23400  1.0 3.0
   52    41    45    48   0.23400  1.0 3.0
   52    41    49    50   0.23400  1.0 3.0
   52    41    49    51   0.23400  1.0 3.0
   52    41    49    55   0.86500  1.0 1.0
   52    41    49    55  -0.17500 -1.0 2.0
   52    41    49    55   0.20800  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
   42    61    54    59  15.00000 -1.0 2.0
   65    60    59    54  15.00000 -1.0 2.0
   68    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
END
