* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    162    264     483
    1     0 S   NP   _N1_     1    28.84815    91.91491   -19.87829
    2     1 S   H    _HN1     2     1.02943   103.11327    22.26823
    3     1 S   H    _H1_     3     1.02825    30.57288   123.80874
    4     1 S   H    _H2_     4     1.02770    81.04507   -84.64255
    5     1 S   CT   _CA1     5     1.50157   136.71852   162.36496
    6     5 S   HC   _HA1     6     1.09556   105.29572    39.70466
    7     5 S   CO3  _C1_     7     1.53869   112.16310   -80.70374
    8     7 S   O2Z  _O11     8     1.26397   115.02766   -44.31851
    9     7 S   O2Z  _O12     9     1.26234   114.93573   134.58886
   10     5 S   CT   _CB1    10     1.52974   107.30451   157.79634
   11    10 S   HC   HB11    11     1.09821   109.63039   -47.87675
   12    10 S   HC   HB12    12     1.09744   110.15005    68.72220
   13    10 S   CT   _CG1    13     1.53028   112.90226  -169.18702
   14    13 S   HC   HG11    14     1.09576   110.35377   -58.36077
   15    13 S   HC   HG12    15     1.09596   110.32997    61.07554
   16    13 S   C    _CD1    16     1.51752   111.56331  -178.73886
   17    16 S   O    _OE1    17     1.22763   122.99545   -13.68852
   18    16 S   N    _N2_    18     1.38615   111.99796   166.63015
   19    18 S   H    _HN2    19     1.01546   119.41313     4.40887
   20    18 S   CT1  _CA2    20     1.46291   122.94676  -173.61905
   21    20 S   HC   _HA2    21     1.09765   108.96208     0.74703
   22    20 S   C    _C2_    22     1.53367   109.41133  -115.07298
   23    22 S   O    _O2_    23     1.23058   122.31723  -150.75931
   24    20 S   CT   _CB2    32     1.53854   111.68354   121.59781
   25    24 S   HC   HB21    33     1.09475   109.69309    66.59990
   26    24 S   HC   HB22    34     1.09308   108.82000  -174.20559
   27    22 S   N    _N3_    24     1.38376   113.74644    36.79518
   28    27 S   H    _HN3    25     1.01605   119.47110    -3.63696
   29    24 S   S    _SG2    35     1.82854   110.57513   -54.59358
   30    27 S   CT   _CA3    26     1.45269   123.04763   176.87457
   31    30 S   HC   HA31    27     1.09556   107.52766   -63.46034
   32    30 S   HC   HA32    28     1.09562   107.91895    52.90363
   33    29 S   CT   _C18    36     1.88186   104.16083   175.95630
   34    33 S   OM   _O37    37     1.31802   106.43266   -59.64573
   35    30 S   CO3  _C3_    29     1.52910   114.25278   174.90634
   36    35 S   O2Z  _O31    30     1.26351   116.12880    -0.44191
   37    35 S   O2Z  _O32    31     1.26446   114.38595   179.61235
   38    33 S   CM   _C19    38     1.52379   109.71024    62.97325
   39    33 S   CT   _C17    71     1.57429   105.50082  -177.75860
   40    39 S   HC   _H4_    72     1.09897   108.62758    35.86286
   41    38 S   CMA  _C21    39     1.36759   124.57076    77.60775
   42    41 S   OM   _O34    40     1.27191   128.18313  -176.92916
   43    39 S   NP   _N5_    73     1.57769   116.02334   149.52562
   44    43 S   H    _H15    74     1.02712   104.04542   165.60503
   45    38 S   C    _C20    83     1.51300   118.92005  -103.92312
   46    45 S   O    _O33    84     1.22659   123.12894    64.22578
   47    41 S   CT   _C22    41     1.58265   117.55510     2.47449
   48    47 S   OM   _O36    42     1.33591   113.24078   156.87255
   49    43 S   CT   _C24    75     1.50708   114.62897   -82.70776
   50    49 S   HC   _H16    76     1.09034   110.11012    76.87171
   51    49 S   HC   _H17    77     1.09395   107.41690  -163.59168
   52    49 S   HC   _H18    78     1.09277   108.54068   -45.41085
   53    43 S   CT   _C25    79     1.50532   116.32039    50.97669
   54    53 S   HC   _H19    80     1.09094   109.80732   -76.81453
   55    53 S   HC   _H20    81     1.09113   109.21020    45.55302
   56    53 S   HC   _H21    82     1.09388   107.37242   163.96445
   57    45 S   N    _N4_    85     1.37666   113.53011  -113.85794
   58    57 S   H    _H13    86     1.01382   121.60310    -5.25408
   59    57 S   H    _H14    87     1.01235   120.51215   179.63523
   60    47 S   CO4  _C23    43     1.54936   110.52451   -89.25860
   61    60 S   O    _O35    44     1.23379   121.70206   -41.78605
   62    60 S   CA   _C13    45     1.50973   120.14883   139.18581
   63    62 S   CA   _C14    46     1.40302   120.38179     8.77821
   64    62 S   CA   _C12    57     1.41309   120.35090  -169.95245
   65    63 S   CA   _C5_    47     1.42250   119.39951   177.81636
   66    64 S   OH   _O38    58     1.37774   120.61700    -0.56023
   67    66 S   HO   _H22    59     0.97271   109.59982    -0.65849
   68    63 S   CT   _C15    66     1.51116   120.22504     0.17583
   69    68 S   HC   _H11    67     1.09769   107.80318    91.94228
   70    68 S   HC   _H12    68     1.09582   110.99232  -151.91371
   71    65 S   CA   _C6_    48     1.43082   120.82688     6.89944
   72    65 S   CT   _C4_    62     1.51778   119.53847  -174.61198
   73    72 S   HC   _H5_    63     1.09405   110.08029   -93.02903
   74    72 S   HC   _H6_    64     1.09388   112.19216    28.88206
   75    72 S   HC   _H7_    65     1.09421   111.66141   144.94771
   76    47 S   CT   _C16    69     1.54910   111.37027    37.35731
   77    76 S   HC   _H3_    70     1.10257   106.45218    79.20125
   78    71 S   CA   _C7_    49     1.41922   122.24534   173.67467
   79    78 S   HA   _H8_    50     1.08768   121.03274    -2.18767
   80    78 S   CA   _C8_    51     1.39359   122.80574   178.77779
   81    80 S   HA   _H9_    52     1.08580   120.03795  -179.73756
   82    80 S   CA   _C9_    53     1.38044   119.54547     0.22900
   83    82 S   HA   _H10    54     1.08581   119.53978  -179.66312
   84    82 S   CA   _C10    55     1.39572   119.25978     0.66323
   85    71 S   CA   _C11    56     1.41854   119.77921    -6.04050
   86    84 S   OH   _O39    60     1.37451   117.21474   179.71676
   87    86 S   HO   _H23    61     0.97119   109.51947    -3.47604
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  14  22   8  12   5  13   9   5   3  11   6
   8   3   2   1   4   2   1   1   2   1   1  10   4  13  15  10
  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4   6
   3   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    76    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    68    76    77    39    40    43    44    49    53    45    46    57  
   38    41    76    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    60    76    39    40    43    45    46    57    58    59  
   40    43    44    49    50    51    52    53    54    55    56    45    41    47    48    60    63    68    69    70    76    77  
   43    44    49    53    47    68    76    77  
   42    47    48    60    61    62    68    76    77    45    46    57  
   47    48    60    76    45  
   44    49    50    51    52    53    54    55    56    47    68    76    77  
   49    50    51    52    53    54    55    56    76  
   46    57    58    59    47  
   57    58    59  
   48    60    61    62    63    64    68    69    70    76    77  
   60    61    62    68    76    77  
   50    51    52    53    54    55    56    76  
   51    52    53  
   52    53  
   53  
   54    55    56    76  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    65    85    64    66    68    76    77  
   62    63    64    76  
   63    65    71    84    85    64    66    67    72    68    69    70    76  
   65    71    78    85    64    66    72    73    74    75    68    69    70    76    77  
   66    67    86    68    65    71    78    82    84    85  
   71    78    79    80    84    85    72    73    74    75    68    69    70    76  
   67    71    84    85  
   85  
   69    70    76    77    71    72  
   70    76    77  
   76    77  
   78    79    80    81    82    84    85    86    72    73    74    75  
   73    74    75    78    85  
   74    75  
   75  
    0  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82    85  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   410.000  1.444
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   570.000  1.307
   47    60   317.000  1.522
   47    76   268.000  1.529
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    64   469.000  1.400
   63    65   469.000  1.400
   63    68   317.000  1.510
   65    71   469.000  1.400
   65    72   317.000  1.510
   71    78   469.000  1.400
   71    85   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   469.000  1.400
   84    86   450.000  1.364
   85    64   469.000  1.400
   64    66   450.000  1.364
   66    67   553.000  0.945
   86    87   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    76   268.000  1.529
   76    77   340.000  1.090
   76    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    49   367.000  1.471
   43    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
   45    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    70.00000  119.70000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  125.30000
   38    45    57    80.00000  111.56200
   41    47    48    85.00000  110.90400
   41    47    60    70.00000  109.06800
   41    47    76    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    60    61    80.00000  120.40000
   47    60    62    65.00000  115.47100
   47    76    68    58.35000  112.70000
   47    76    77    37.50000  110.70000
   47    76    39    58.35000  112.70000
   60    47    48    90.00000  108.74100
   60    62    63    60.00000  119.52600
   60    62    64    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    65    63.00000  120.00000
   62    63    68    70.00000  120.00000
   62    64    85    63.00000  120.00000
   62    64    66    70.00000  120.00000
   63    65    71    63.00000  120.00000
   63    65    72    70.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    76    70.00000  112.17500
   65    71    78    63.00000  120.00000
   65    71    85    63.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   71    78    79    35.00000  120.00000
   71    78    80    63.00000  120.00000
   71    85    84    63.00000  120.00000
   71    85    64    63.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    63.00000  120.00000
   82    84    86    70.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    64    63.00000  120.00000
   84    86    87    35.00000  113.00000
   85    71    78    63.00000  120.00000
   85    64    66    70.00000  120.00000
   64    62    63    63.00000  120.00000
   64    66    67    35.00000  113.00000
   86    84    85    70.00000  120.00000
   72    65    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    63    65    70.00000  120.00000
   68    76    77    37.50000  110.70000
   68    76    39    58.35000  112.70000
   70    68    69    33.00000  107.80000
   76    47    48    50.00000  109.50000
   76    47    60    63.00000  111.10000
   76    68    69    37.50000  110.70000
   76    68    70    37.50000  110.70000
   76    39    40    37.50000  110.70000
   76    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    76    77    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    49    75.00000  113.01200
   39    43    53    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   43    53    54    35.00000  109.50000
   43    53    55    35.00000  109.50000
   43    53    56    35.00000  109.50000
   49    43    44    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    38    41    60.00000  120.04000
   45    57    58    35.00000  119.80000
   45    57    59    35.00000  119.80000
   57    45    46    80.00000  122.90000
   59    57    58    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    57   1.59650  1.0 1.0
   33    38    45    57   0.42750 -1.0 2.0
   33    38    45    57  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    49   0.47100  1.0 1.0
   33    39    43    53   0.47100  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    76   0.62750  1.0 1.0
   34    33    39    76  -0.30950 -1.0 2.0
   34    33    39    76   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    76   0.34400  1.0 1.0
   38    33    39    76   0.09450 -1.0 2.0
   38    33    39    76   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    47    48   0.39000  1.0 1.0
   38    41    47    48  -0.05800 -1.0 2.0
   38    41    47    48  -0.55150  1.0 3.0
   38    41    47    60  -0.51250  1.0 1.0
   38    41    47    60  -0.88800 -1.0 2.0
   38    41    47    60   0.08850  1.0 3.0
   38    41   -47    76   0.09850  1.0 1.0
   38    41   -47    76   0.15250 -1.0 2.0
   38    41   -47    76  -0.50650  1.0 3.0
   38    45    57    58   2.56700 -1.0 2.0
   38    45    57    59   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    57   0.49500  1.0 1.0
   41    38    45    57   1.31600 -1.0 2.0
   41    38    45    57  -0.02300  1.0 3.0
   41    47    60    61   0.30150 -1.0 2.0
   41    47    60    62   0.65300  1.0 1.0
   41    47    60    62  -0.03850 -1.0 2.0
   41    47    60    62   0.33900  1.0 3.0
   41    47    76    68   0.34400  1.0 1.0
   41    47    76    68   0.09450 -1.0 2.0
   41    47    76    68   0.11100  1.0 3.0
   41    47    76    77   0.15000  1.0 3.0
   41    47    76    39   0.34400  1.0 1.0
   41    47    76    39   0.09450 -1.0 2.0
   41    47    76    39   0.11100  1.0 3.0
   42    41    47    48   0.09700  1.0 1.0
   42    41    47    48   0.15600 -1.0 2.0
   42    41    47    48  -0.50800  1.0 3.0
   42    41    47    60   0.09700  1.0 1.0
   42    41    47    60   0.15600 -1.0 2.0
   42    41    47    60  -0.50800  1.0 3.0
   42    41    47    76   0.09700  1.0 1.0
   42    41    47    76   0.15600 -1.0 2.0
   42    41    47    76  -0.50800  1.0 3.0
   47    60    62    63   2.26350  1.0 1.0
   47    60    62    63   0.76750 -1.0 2.0
   47    60    62    63   0.22500  1.0 3.0
   47    60    62    64   2.26350  1.0 1.0
   47    60    62    64   0.76750 -1.0 2.0
   47    60    62    64   0.22500  1.0 3.0
   47    76   -39    33   0.56750  1.0 1.0
   47    76   -39    33  -0.07550 -1.0 2.0
   47    76   -39    33   0.20000  1.0 3.0
   47    76    39    40   0.15000  1.0 3.0
   47    76    39    43   1.36600  1.0 1.0
   47    76    39    43  -0.11450 -1.0 2.0
   47    76    39    43   0.24250  1.0 3.0
   48    47    60    61   0.30150 -1.0 2.0
   48    47    60    62   0.65300  1.0 1.0
   48    47    60    62  -0.03850 -1.0 2.0
   48    47    60    62   0.33900  1.0 3.0
   48    47    76    68   0.62750  1.0 1.0
   48    47    76    68  -0.30950 -1.0 2.0
   48    47    76    68   0.27300  1.0 3.0
   48    47    76    77   0.23400  1.0 3.0
   48    47    76    39   0.62750  1.0 1.0
   48    47    76    39  -0.30950 -1.0 2.0
   48    47    76    39   0.27300  1.0 3.0
   60    47    76    68  -0.95700  1.0 1.0
   60    47    76    68  -0.18200 -1.0 2.0
   60    47    76    68   0.29450  1.0 3.0
   60    47    76    77  -0.11250  1.0 3.0
   60    47    76    39  -0.95700  1.0 1.0
   60    47    76    39  -0.18200 -1.0 2.0
   60    47    76    39   0.29450  1.0 3.0
   60    62    63    65   3.62500 -1.0 2.0
   60    62   -63    68   3.62500 -1.0 2.0
   60    62    64    85   3.62500 -1.0 2.0
   60    62    64    66   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    64   1.05000 -1.0 2.0
   62    63    65    71   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.00000  1.0 1.0
   62    63    68    76   0.04150 -1.0 2.0
   62    64    66    67   0.84100 -1.0 2.0
   63    62    64    85   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   63    65    71    78   3.62500 -1.0 2.0
   63    65   -71    85   3.62500 -1.0 2.0
   63    65    72    73   0.00000  1.0 1.0
   63    65    72    74   0.00000  1.0 1.0
   63    65    72    75   0.00000  1.0 1.0
   63    68   -76    47  -0.03700  1.0 1.0
   63    68   -76    47   0.37200 -1.0 2.0
   63    68   -76    47  -0.47300  1.0 3.0
   63    68    76    77   0.43200  1.0 3.0
   63    68    76    39  -0.03700  1.0 1.0
   63    68    76    39   0.37200 -1.0 2.0
   63    68    76    39  -0.47300  1.0 3.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   65    63    68    76   0.04150 -1.0 2.0
   65    71    78    79   3.62500 -1.0 2.0
   65    71    78    80   3.62500 -1.0 2.0
   65    71    85    84   3.62500 -1.0 2.0
   65    71    85    64   3.62500 -1.0 2.0
   71    65    72    73   0.00000  1.0 1.0
   71    65    72    74   0.00000  1.0 1.0
   71    65    72    75   0.00000  1.0 1.0
   71    78    80    81   3.62500 -1.0 2.0
   71    78    80    82   3.62500 -1.0 2.0
   71    85   -64    62   3.62500 -1.0 2.0
   71    85    64    66   3.62500 -1.0 2.0
   78    71    85    84   3.62500 -1.0 2.0
   78    71    85    64   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   78    80   -82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -85    71   3.62500 -1.0 2.0
   82    84    85    64   3.62500 -1.0 2.0
   82    84    86    87   0.84100 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    85    64    62   3.62500 -1.0 2.0
   84    85    64    66   3.62500 -1.0 2.0
   85    71    78    79   3.62500 -1.0 2.0
   85    71   -78    80   3.62500 -1.0 2.0
   85    84    86    87   0.84100 -1.0 2.0
   85    64    66    67   0.84100 -1.0 2.0
   64    62   -63    65   3.62500 -1.0 2.0
   64    62    63    68   3.62500 -1.0 2.0
   86    84    85    71   3.62500 -1.0 2.0
   86    84    85    64   3.62500 -1.0 2.0
   72    65    71    78   3.62500 -1.0 2.0
   72    65    71    85   3.62500 -1.0 2.0
   68    63    65    71   3.62500 -1.0 2.0
   68    63    65    72   3.62500 -1.0 2.0
   68    76    39    33   0.56750  1.0 1.0
   68    76    39    33  -0.07550 -1.0 2.0
   68    76    39    33   0.20000  1.0 3.0
   68    76    39    40   0.15000  1.0 3.0
   68    76    39    43   1.36600  1.0 1.0
   68    76    39    43  -0.11450 -1.0 2.0
   68    76    39    43   0.24250  1.0 3.0
   69    68    76    47   0.15000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    39   0.15000  1.0 3.0
   70    68    76    47   0.15000  1.0 3.0
   70    68    76    77   0.15000  1.0 3.0
   70    68    76    39   0.15000  1.0 3.0
   76    47    60    61   0.30150 -1.0 2.0
   76    47   -60    62   0.05850 -1.0 2.0
   76    47   -60    62   0.17250  1.0 3.0
   76    39    43    44   0.17350  1.0 3.0
   76    39    43    49   0.47100  1.0 1.0
   76    39    43    53   0.47100  1.0 1.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    52   0.15000  1.0 3.0
   39    43    53    54   0.15000  1.0 3.0
   39    43    53    55   0.15000  1.0 3.0
   39    43    53    56   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    53   0.15000  1.0 3.0
   44    43    49    50   0.13050  1.0 3.0
   44    43    49    51   0.13050  1.0 3.0
   44    43    49    52   0.13050  1.0 3.0
   44    43    53    54   0.13050  1.0 3.0
   44    43    53    55   0.13050  1.0 3.0
   44    43    53    56   0.13050  1.0 3.0
   49    43    53    54   0.15000  1.0 3.0
   49    43    53    55   0.15000  1.0 3.0
   49    43    53    56   0.15000  1.0 3.0
   53    43    49    50   0.15000  1.0 3.0
   53    43    49    51   0.15000  1.0 3.0
   53    43    49    52   0.15000  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    57    58   2.45000 -1.0 2.0
   46    45    57    59   2.45000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    62    60    61  10.50000 -1.0 2.0
   63    64    62    60   4.00000 -1.0 2.0
   65    68    63    62   4.00000 -1.0 2.0
   71    72    65    63   4.00000 -1.0 2.0
   78    85    71    65   4.00000 -1.0 2.0
   80    79    78    71   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   85    86    84    82   4.00000 -1.0 2.0
   84    64    85    71   4.00000 -1.0 2.0
   85    66    64    62   4.00000 -1.0 2.0
   38    57    45    46  10.50000 -1.0 2.0
   59    45    57    58   1.00000 -1.0 2.0
END
