* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    139    218     406
    1     0 S   NP   _N1_     1    28.30148    96.92929   -22.60438
    2     1 S   H    _HN1     2     1.02778   102.73241  -121.76779
    3     1 S   H    _H1_     3     1.02956    76.13152   -15.71891
    4     1 S   H    _H2_     4     1.02832    35.21604   135.15624
    5     1 S   CT   _CA1     5     1.50131   139.15801    89.52535
    6     5 S   HC   _HA1     6     1.09577   105.19622    85.27366
    7     5 S   CO3  _C1_     7     1.53765   112.41583   -34.85140
    8     7 S   O2Z  _O11     8     1.26351   115.03027   -42.87670
    9     7 S   O2Z  _O12     9     1.26268   114.95082   136.18637
   10     5 S   CT   _CB1    10     1.53085   107.40910  -156.84178
   11    10 S   HC   HB11    11     1.09826   109.30338   -50.65904
   12    10 S   HC   HB12    12     1.09813   110.44771    65.91468
   13    10 S   CT   _CG1    13     1.52981   112.63849  -171.72683
   14    13 S   HC   HG11    14     1.09583   110.40806   -65.96213
   15    13 S   HC   HG12    15     1.09658   109.88925    53.24456
   16    13 S   C    _CD1    16     1.51826   112.36276   173.74267
   17    16 S   O    _OE1    17     1.22766   123.29757     3.79008
   18    16 S   N    _N2_    18     1.38502   111.73773  -176.33179
   19    18 S   H    _HN2    19     1.01761   118.96482     2.46323
   20    18 S   CT1  _CA2    20     1.45942   122.90413   178.91357
   21    20 S   HC   _HA2    21     1.09740   108.73872    28.77715
   22    20 S   C    _C2_    22     1.52961   107.31056   -88.36022
   23    22 S   O    _O2_    23     1.22969   123.16957   -26.14790
   24    20 S   CT   _CB2    32     1.53333   111.98309   151.90716
   25    24 S   HC   HB21    33     1.09282   108.87938    55.64366
   26    24 S   HC   HB22    34     1.09463   110.39310   174.02749
   27    22 S   N    _N3_    24     1.38530   112.48536   156.49914
   28    27 S   H    _HN3    25     1.01653   120.32055    -2.07943
   29    24 S   S    _SG2    35     1.82828   110.38885   -66.08187
   30    27 S   CT   _CA3    26     1.45340   122.48841   178.58972
   31    30 S   HC   HA31    27     1.09568   107.78524   -56.09513
   32    30 S   HC   HA32    28     1.09562   107.63429    60.23534
   33    29 S   CT   _C5_    36     1.86793   102.37856   163.42994
   34    33 S   OM   _O38    37     1.31700   107.30695  -175.57951
   35    30 S   CO3  _C3_    29     1.52885   114.32946  -178.01200
   36    35 S   O2Z  _O31    30     1.26336   116.07634    -0.98755
   37    35 S   O2Z  _O32    31     1.26440   114.40658   179.00162
   38    33 S   CT   _C6_    38     1.56867   108.99693   -56.48297
   39    38 S   HC   _H6_    39     1.10027   110.07319    81.62391
   40    38 S   HC   _H7_    40     1.09597   108.84316   -30.73506
   41    33 S   S    _S1_    75     1.85911   110.32058    64.17879
   42    38 S   CA   _C7_    41     1.52604   119.77033  -155.14313
   43    41 S   CT   _C4_    76     1.81628   102.25640    62.93249
   44    43 S   HC   _H3_    77     1.09389   108.29442   179.76344
   45    43 S   HC   _H4_    78     1.09271   111.35520    61.48068
   46    43 S   HC   _H5_    79     1.09218   111.42404   -61.93474
   47    42 S   CA   _C8_    42     1.39199   119.32420   -73.87082
   48    47 S   HA   _H8_    43     1.08824   118.82272     0.05595
   49    47 S   CA   _C9_    44     1.39891   121.98214  -179.36882
   50    49 S   CA   _C10    45     1.40365   117.94063  -179.39867
   51    50 S   HA   _H9_    46     1.09155   118.84649     0.13417
   52    49 S   CA   _C18    57     1.41696   121.03837     0.73302
   53    50 S   CA   _C11    47     1.39983   122.63306  -179.98022
   54    52 S   CA   _C19    58     1.45607   119.32623     0.27411
   55    54 S   OM   _O35    59     1.28391   122.44798   179.22975
   56    53 S   CA   _C12    48     1.40660   119.62580  -179.96044
   57    56 S   HA   _H10    49     1.08870   120.42089     0.00000
   58    42 S   CA   _C20    60     1.40820   123.26194   108.11441
   59    56 S   CA   _C13    50     1.39160   121.20846   180.00000
   60    59 S   HA   _H11    51     1.08590   120.13388   180.00000
   61    58 S   CO4  _C21    61     1.48934   117.74434     0.27268
   62    61 S   O    _O33    62     1.22628   119.85896   -85.16707
   63    59 S   CA   _C14    52     1.38630   119.60328    -0.00000
   64    63 S   HA   _H12    53     1.08621   119.32920   180.00000
   65    61 S   CT   _C22    63     1.51244   116.56569    95.35793
   66    65 S   HC   _H13    64     1.09538   108.31626    95.43219
   67    65 S   HC   _H14    65     1.09603   110.19442   -21.74976
   68    63 S   CA   _C15    54     1.39870   119.64872    -0.00000
   69    65 S   C    _C23    66     1.51055   113.20797  -141.93328
   70    69 S   O    _O34    67     1.22891   122.52557    80.82030
   71    53 S   CA   _C16    55     1.40787   119.77079     0.01978
   72    69 S   N    _N4_    68     1.37347   113.89122   -98.45686
   73    72 S   H    _H15    69     1.01392   122.67076     1.70720
   74    72 S   H    _H16    70     1.01780   120.76696   179.69226
   75    68 S   OH   _O37    73     1.37312   117.80793   179.96574
   76    75 S   HO   _H18    74     0.97147   109.28494     0.02798
   77    71 S   CA   _C17    56     1.43138   116.89982     0.00000
   78    77 S   OH   _O36    71     1.38258   115.91161  -179.95154
   79    78 S   HO   _H17    72     0.97449   107.95992   179.52978
  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   8   5   4   3
  12   6   2   1   1  11   5   4   5  11   3   2   1   1  10   4
  11  10   4  10  10   8   3   8   4   7   6   3   7   4   6   3
   7   4   3   5   4   3   5   2   1   1   2   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    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    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    58    41    43    44    45    46  
   38    39    40    42    41    43  
   36    37  
   37  
    0  
   39    40    42    47    48    49    54    58    61    41    43  
   40    42    47    58    41  
   42    47    58    41  
   43    44    45    46    42  
   47    48    49    50    52    54    55    58    61    62    65  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    53    77    52    54    58    61  
   49    50    52    58  
   50    51    53    56    71    77    52    54    55    58    78  
   51    53    56    57    59    68    71    77    52    54  
   53    56    71    52  
   54    55    58    61    78    79    53    68    71    77  
   56    57    59    60    63    68    71    77    78    75  
   55    58    61    62    65    78    71    77  
   58    61    77  
   57    59    60    63    64    68    71    77  
   59    60    63    71  
   61    62    65    66    67    69    77  
   60    63    64    68    71    75  
   63    64    68  
   62    65    66    67    69    70    72  
   65    66    67    69  
   64    68    71    77    75    76  
   68    71    75  
   66    67    69    70    72    73    74  
   67    69    70    72  
   69    70    72  
   71    77    78    75    76  
   70    72    73    74  
   72    73    74  
   77    78    79    75    76  
   73    74  
   74  
    0  
   76    77  
    0  
   78    79  
   79  
    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  -0.005000   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   3.5000   0.0660  -0.005000   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   73   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   74   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.510
   42    47   469.000  1.400
   42    58   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    56   469.000  1.400
   53    71   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    71   469.000  1.400
   68    75   450.000  1.364
   71    77   469.000  1.400
   77    52   469.000  1.400
   77    78   450.000  1.364
   52    54   469.000  1.400
   54    55   450.000  1.364
   54    58   469.000  1.400
   58    61   310.000  1.470
   61    62   570.000  1.229
   61    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   317.000  1.522
   69    70   570.000  1.229
   69    72   490.000  1.335
   72    73   434.000  1.010
   72    74   434.000  1.010
   78    79   553.000  0.945
   75    76   553.000  0.945
   41    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    41    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    47    70.00000  120.00000
   38    42    58    70.00000  120.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   42    58    54    63.00000  120.00000
   42    58    61    60.00000  119.52600
   47    49    50    63.00000  120.00000
   47    49    52    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    77    63.00000  120.00000
   49    52    54    63.00000  120.00000
   50    53    56    63.00000  120.00000
   50    53    71    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    71    68    63.00000  120.00000
   53    71    77    63.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   59    56    57    35.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    68    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    68    71    63.00000  120.00000
   63    68    75    70.00000  120.00000
   68    63    64    35.00000  120.00000
   68    71    77    63.00000  120.00000
   68    75    76    35.00000  113.00000
   71    53    56    63.00000  120.00000
   71    77    52    63.00000  120.00000
   71    77    78    70.00000  120.00000
   77    52    54    63.00000  120.00000
   77    78    79    35.00000  113.00000
   52    49    50    63.00000  120.00000
   52    54    55    70.00000  120.00000
   52    54    58    63.00000  120.00000
   54    58    61    60.00000  119.52600
   58    42    47    63.00000  120.00000
   58    54    55    70.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    65    65.00000  115.47100
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    69    70.00000  107.85200
   65    61    62    80.00000  120.40000
   65    69    70    80.00000  120.40000
   65    69    72    70.00000  116.60000
   67    65    66    33.00000  107.80000
   69    65    66    35.00000  109.50000
   69    65    67    35.00000  109.50000
   69    72    73    35.00000  119.80000
   69    72    74    35.00000  119.80000
   72    69    70    80.00000  122.90000
   74    72    73    35.00000  120.00000
   78    77    52    70.00000  120.00000
   75    68    71    70.00000  120.00000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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   0.01700  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   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.08500  1.0 1.0
   29    33    41    43  -0.53150 -1.0 2.0
   29    33    41    43   0.48050  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    58   0.04150 -1.0 2.0
   33    41    43    44   0.32350  1.0 3.0
   33    41    43    45   0.32350  1.0 3.0
   33    41    43    46   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.64350  1.0 1.0
   34    33    38    42  -0.04200 -1.0 2.0
   34    33    38    42   0.19800  1.0 3.0
   34    33    41    43   0.13850  1.0 1.0
   34    33    41    43  -1.34450 -1.0 2.0
   34    33    41    43   0.57400  1.0 3.0
   38    33    41    43   0.01700  1.0 1.0
   38    33    41    43  -0.23550 -1.0 2.0
   38    33    41    43   0.21350  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   38    42    58    54   3.62500 -1.0 2.0
   38    42    58    61   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    58   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    58   0.00000  1.0 1.0
   42    47    49    50   3.62500 -1.0 2.0
   42    47    49    52   3.62500 -1.0 2.0
   42    58    61    62   1.05000 -1.0 2.0
   42    58    61    65   2.26350  1.0 1.0
   42    58    61    65   0.76750 -1.0 2.0
   42    58    61    65   0.22500  1.0 3.0
   47    42    58    54   3.62500 -1.0 2.0
   47    42    58    61   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    52    77   3.62500 -1.0 2.0
   47    49   -52    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50    53    56   3.62500 -1.0 2.0
   49    50    53    71   3.62500 -1.0 2.0
   49    52    54    55   3.62500 -1.0 2.0
   49    52    54    58   3.62500 -1.0 2.0
   50    49    52    77   3.62500 -1.0 2.0
   50    49    52    54   3.62500 -1.0 2.0
   50    53    56    57   3.62500 -1.0 2.0
   50    53    56    59   3.62500 -1.0 2.0
   50    53    71    68   3.62500 -1.0 2.0
   50    53   -71    77   3.62500 -1.0 2.0
   51    50    53    56   3.62500 -1.0 2.0
   51    50    53    71   3.62500 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56    59    63   3.62500 -1.0 2.0
   53    71    77    52   3.62500 -1.0 2.0
   53    71    77    78   3.62500 -1.0 2.0
   56    53    71    68   3.62500 -1.0 2.0
   56    53    71    77   3.62500 -1.0 2.0
   56    59    63    64   3.62500 -1.0 2.0
   56    59   -63    68   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    63   3.62500 -1.0 2.0
   59    63    68    71   3.62500 -1.0 2.0
   59    63    68    75   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   60    59    63    68   3.62500 -1.0 2.0
   63    68   -71    53   3.62500 -1.0 2.0
   63    68    71    77   3.62500 -1.0 2.0
   63    68    75    76   0.84100 -1.0 2.0
   64    63    68    71   3.62500 -1.0 2.0
   64    63    68    75   3.62500 -1.0 2.0
   68    71    77    52   3.62500 -1.0 2.0
   68    71    77    78   3.62500 -1.0 2.0
   71    53    56    57   3.62500 -1.0 2.0
   71    53   -56    59   3.62500 -1.0 2.0
   71    68    75    76   0.84100 -1.0 2.0
   71    77   -52    49   3.62500 -1.0 2.0
   71    77    52    54   3.62500 -1.0 2.0
   71    77    78    79   0.84100 -1.0 2.0
   77    52    54    55   3.62500 -1.0 2.0
   77    52    54    58   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49   -50    53   3.62500 -1.0 2.0
   52    77    78    79   0.84100 -1.0 2.0
   52    54   -58    42   3.62500 -1.0 2.0
   52    54    58    61   3.62500 -1.0 2.0
   54    58    61    62   1.05000 -1.0 2.0
   54    58    61    65   2.26350  1.0 1.0
   54    58    61    65   0.76750 -1.0 2.0
   54    58    61    65   0.22500  1.0 3.0
   55    54    58    42   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    42    47    48   3.62500 -1.0 2.0
   58    42   -47    49   3.62500 -1.0 2.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    69   0.65300  1.0 1.0
   58    61    65    69  -0.03850 -1.0 2.0
   58    61    65    69   0.33900  1.0 3.0
   61    65    69    70   0.30150 -1.0 2.0
   61    65    69    72   0.00000  1.0 1.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    69   0.30150 -1.0 2.0
   65    69    72    73   2.45000 -1.0 2.0
   65    69    72    74   2.45000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   67    65    69    70   0.00000  1.0 1.0
   67    65    69    72   0.00000  1.0 1.0
   70    69    72    73   2.45000 -1.0 2.0
   70    69    72    74   2.45000 -1.0 2.0
   78    77    52    49   3.62500 -1.0 2.0
   78    77    52    54   3.62500 -1.0 2.0
   75    68    71    53   3.62500 -1.0 2.0
   75    68    71    77   3.62500 -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
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
   47    58    42    38   4.00000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   56    71    53    50   4.00000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   68    64    63    59   1.10000 -1.0 2.0
   71    75    68    63   4.00000 -1.0 2.0
   68    77    71    53   4.00000 -1.0 2.0
   52    78    77    71   4.00000 -1.0 2.0
   77    54    52    49   4.00000 -1.0 2.0
   58    55    54    52   4.00000 -1.0 2.0
   54    61    58    42   4.00000 -1.0 2.0
   58    65    61    62  10.50000 -1.0 2.0
   65    72    69    70  10.50000 -1.0 2.0
   74    69    72    73   1.00000 -1.0 2.0
END
