* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    143    202     409
    1     0 S   NP   _N1_     1    28.74862    99.71993   -20.06232
    2     1 S   H    _HN1     2     1.02945    58.72712   -19.21593
    3     1 S   H    _H1_     3     1.02844    53.88129   131.44653
    4     1 S   H    _H2_     4     1.02786   100.65404  -124.19449
    5     1 S   CT   _CA1     5     1.50110   147.14320    60.18984
    6     5 S   HC   _HA1     6     1.09596   105.19786   114.49411
    7     5 S   CO3  _C1_     7     1.53867   111.95446    -5.32888
    8     7 S   O2Z  _O11     8     1.26343   115.08211   -55.87818
    9     7 S   O2Z  _O12     9     1.26276   114.91680   122.91761
   10     5 S   CT   _CB1    10     1.53162   107.32921  -128.06360
   11    10 S   HC   HB11    11     1.09822   109.44364   -52.28506
   12    10 S   HC   HB12    12     1.09801   110.53328    64.36348
   13    10 S   CT   _CG1    13     1.52895   112.33698  -173.28335
   14    13 S   HC   HG11    14     1.09334   109.99816   -64.90517
   15    13 S   HC   HG12    15     1.09645   109.95564    54.19325
   16    13 S   C    _CD1    16     1.51759   112.58189   175.38854
   17    16 S   O    _OE1    17     1.22756   123.22104     8.36455
   18    16 S   N    _N2_    18     1.38607   111.81101  -172.10502
   19    18 S   H    _HN2    19     1.01553   118.95968     4.67051
   20    18 S   CT1  _CA2    20     1.45765   122.73323   177.42869
   21    20 S   HC   _HA2    21     1.09720   108.80760    28.57858
   22    20 S   C    _C2_    22     1.52985   106.85516   -88.47632
   23    22 S   O    _O2_    23     1.22981   123.04898   -28.04102
   24    20 S   CT   _CB2    32     1.53148   112.52807   152.06888
   25    24 S   HC   HB21    33     1.09505   110.38774    55.56359
   26    24 S   HC   HB22    34     1.09561   110.20747   173.03213
   27    22 S   N    _N3_    24     1.38489   112.55184   154.75548
   28    27 S   H    _HN3    25     1.01653   120.35813    -2.12477
   29    24 S   S    _SG2    35     1.82827   111.82601   -68.36454
   30    27 S   CT   _CA3    26     1.45357   122.50282   178.62143
   31    30 S   HC   HA31    27     1.09568   107.82079   -55.70106
   32    30 S   HC   HA32    28     1.09564   107.60552    60.64159
   33    29 S   CT   _C11    36     1.84573   100.11126   125.89897
   34    33 S   HC   _H3_    37     1.09571   105.61973    42.45789
   35    30 S   CO3  _C3_    29     1.52899   114.29891  -177.59385
   36    35 S   O2Z  _O31    30     1.26340   116.04491     0.40638
   37    35 S   O2Z  _O32    31     1.26434   114.41836  -179.65057
   38    33 S   CA   _C12    38     1.52147   111.47576   -76.28353
   39    33 S   CM   _C10    58     1.51578   108.47174   159.34700
   40    39 S   HC   _H17    59     1.09091   115.68536    53.38589
   41    38 S   CA   _C13    39     1.40693   119.39202   114.43973
   42    41 S   HA   _H18    40     1.08651   118.18243     1.17036
   43    39 S   CMA  _C9_    60     1.35521   126.65649  -126.45630
   44    43 S   OM   _O37    61     1.26773   125.56686    -0.39614
   45    41 S   CA   _C14    41     1.39756   120.98400  -178.12143
   46    43 S   OS   _O33    62     1.42181   109.30943   179.74899
   47    45 S   CA   _C15    42     1.39931   118.68123    -0.50668
   48    45 S   OS   _O36    53     1.37052   125.17688   178.86099
   49    46 S   CT   _C8_    63     1.43528   115.78882   177.60028
   50    49 S   HC   _H15    64     1.09487   109.17229    60.94347
   51    49 S   HC   _H16    65     1.09490   109.17628   -59.68907
   52    47 S   CA   _C16    43     1.40017   121.58890    -0.81181
   53    47 S   OH   _O35    51     1.37360   118.57747   178.22999
   54    53 S   HO   _H23    52     0.97652   107.69556  -168.18842
   55    48 S   CT   _C19    54     1.42218   117.17053    -0.09487
   56    55 S   HC   _H24    55     1.09428   107.74382  -179.85735
   57    55 S   HC   _H25    56     1.09497   111.14755    62.41822
   58    55 S   HC   _H26    57     1.09506   111.13804   -62.14585
   59    49 S   CT   _C7_    66     1.52555   107.01841  -179.38040
   60    59 S   HC   _H13    67     1.09740   110.22808    59.00753
   61    59 S   HC   _H14    68     1.09738   110.22767   -59.12134
   62    38 S   CA   _C17    44     1.40706   121.60891   -64.96723
   63    62 S   HA   _H19    45     1.08599   118.55386    -1.01626
   64    52 S   OS   _O34    46     1.36974   115.68550  -178.89606
   65    59 S   NP   _N4_    69     1.53747   114.21252   179.93744
   66    64 S   CT   _C18    47     1.42221   117.15330  -173.96275
   67    66 S   HC   _H20    48     1.09420   107.74819   177.10045
   68    66 S   HC   _H21    49     1.09513   111.20541    59.29496
   69    66 S   HC   _H22    50     1.09483   111.04977   -65.22886
   70    65 S   CT   _C4_    70     1.52416   111.40831   -61.40535
   71    70 S   HC   _H4_    71     1.09379   108.45815   -52.81659
   72    70 S   HC   _H5_    72     1.09282   109.00802    67.98391
   73    70 S   HC   _H6_    73     1.09439   108.38130  -172.76804
   74    65 S   CT   _C5_    74     1.52415   111.40646    61.35257
   75    74 S   HC   _H7_    75     1.09380   108.45792    52.82582
   76    74 S   HC   _H8_    76     1.09440   108.38014   172.77680
   77    74 S   HC   _H9_    77     1.09282   109.00634   -67.97538
   78    65 S   CT   _C6_    78     1.53129   107.73410   179.97202
   79    78 S   HC   _H10    79     1.09414   108.41401   -60.07829
   80    78 S   HC   _H11    80     1.09413   108.41184    60.05501
   81    78 S   HC   _H12    81     1.09422   108.57410   179.98022
  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
  13   6   2   1   1  12   7   3   9   4   6   2  11   7   9   6
   9   5   4   9   3   1   3   2   1   1  15   5   4   3   1   4
  12   3   2   1   1  11   4   3   2   7   3   2   1   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    62    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    62    63    39    40    43    44    46  
   38    41    62    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    52    62    63    64    48    39    40    43  
   40    43    44    46    49    41    62  
   43    44    46  
   42    45    47    52    62    63    53    48    55  
   45    47    62    48  
   44    46    49    50    51    59  
   46    49  
   47    52    62    64    53    54    48    55    56    57    58  
   49    50    51    59    60    61    65  
   52    62    63    64    66    53    54    48    55  
   55    56    57    58    52    53  
   50    51    59    60    61    65    70    74    78  
   51    59    60    61    65  
   59    60    61    65  
   62    63    64    66    67    68    69    53    54  
   54    62    64  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    61    65    70    71    72    73    74    75    76    77    78    79    80    81  
   61    65    70    74    78  
   65    70    74    78  
   63    64    66  
   64  
   66    67    68    69  
   70    71    72    73    74    75    76    77    78    79    80    81  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    78  
   74    78  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.221900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    62   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    52   469.000  1.400
   47    53   450.000  1.364
   52    62   469.000  1.400
   52    64   450.000  1.364
   62    63   367.000  1.080
   64    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   553.000  0.945
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   367.000  1.471
   65    70   367.000  1.471
   65    74   367.000  1.471
   65    78   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    62    52    63.00000  120.00000
   38    62    63    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    52    63.00000  120.00000
   45    47    53    70.00000  120.00000
   45    48    55    75.00000  111.00000
   47    52    62    63.00000  120.00000
   47    52    64    70.00000  120.00000
   47    53    54    35.00000  113.00000
   52    62    63    35.00000  120.00000
   52    64    66    75.00000  111.00000
   62    38    41    63.00000  120.00000
   64    52    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    47    52    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    46    49    90.00000  111.18400
   46    43    44    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    59    50.00000  109.50000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    65    80.00000  111.20000
   51    49    50    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    51    37.50000  110.70000
   59    65    70    75.00000  113.01200
   59    65    74    75.00000  113.01200
   59    65    78    75.00000  113.01200
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   65    78    79    35.00000  109.50000
   65    78    80    35.00000  109.50000
   65    78    81    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    70    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    65    70    75.00000  113.01200
   78    65    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    62    52   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    62    52   3.62500 -1.0 2.0
   41    38    62    63   3.62500 -1.0 2.0
   41    45   -47    52   3.62500 -1.0 2.0
   41    45    47    53   3.62500 -1.0 2.0
   41    45    48    55   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    52    62   3.62500 -1.0 2.0
   45    47    52    64   3.62500 -1.0 2.0
   45    47    53    54   0.84100 -1.0 2.0
   45    48    55    56   0.08050  1.0 3.0
   45    48    55    57   0.08050  1.0 3.0
   45    48    55    58   0.08050  1.0 3.0
   47    45    48    55   1.63200 -1.0 2.0
   47    52   -62    38   3.62500 -1.0 2.0
   47    52    62    63   3.62500 -1.0 2.0
   47    52    64    66   1.63200 -1.0 2.0
   52    47    53    54   0.84100 -1.0 2.0
   52    64    66    67   0.08050  1.0 3.0
   52    64    66    68   0.08050  1.0 3.0
   52    64    66    69   0.08050  1.0 3.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    45   3.62500 -1.0 2.0
   62    52    64    66   1.63200 -1.0 2.0
   64    52    62    38   3.62500 -1.0 2.0
   64    52    62    63   3.62500 -1.0 2.0
   53    47    52    62   3.62500 -1.0 2.0
   53    47    52    64   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   48    45    47    53   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    43    46    49  -2.26850  1.0 1.0
   39    43    46    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   0.08050  1.0 3.0
   43    46    49    51   0.08050  1.0 3.0
   43    46    49    59  -0.46850  1.0 1.0
   43    46    49    59   0.09300 -1.0 2.0
   43    46    49    59  -0.12850  1.0 3.0
   44    43    46    49   2.00000 -1.0 2.0
   46    49    59    60   0.23400  1.0 3.0
   46    49    59    61   0.23400  1.0 3.0
   46    49    59    65   1.69300  1.0 1.0
   46    49    59    65  -0.48450 -1.0 2.0
   49    59    65    70   0.47100  1.0 1.0
   49    59    65    74   0.47100  1.0 1.0
   49    59    65    78   0.47100  1.0 1.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    65   0.19200  1.0 3.0
   51    49    59    60   0.15000  1.0 3.0
   51    49    59    61   0.15000  1.0 3.0
   51    49    59    65   0.19200  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.15000  1.0 3.0
   59    65    74    75   0.15000  1.0 3.0
   59    65    74    76   0.15000  1.0 3.0
   59    65    74    77   0.15000  1.0 3.0
   59    65    78    79   0.15000  1.0 3.0
   59    65    78    80   0.15000  1.0 3.0
   59    65    78    81   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   60    59    65    74   0.15000  1.0 3.0
   60    59    65    78   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   61    59    65    74   0.15000  1.0 3.0
   61    59    65    78   0.15000  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   70    65    78    79   0.15000  1.0 3.0
   70    65    78    80   0.15000  1.0 3.0
   70    65    78    81   0.15000  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    73   0.15000  1.0 3.0
   74    65    78    79   0.15000  1.0 3.0
   74    65    78    80   0.15000  1.0 3.0
   74    65    78    81   0.15000  1.0 3.0
   78    65    70    71   0.15000  1.0 3.0
   78    65    70    72   0.15000  1.0 3.0
   78    65    70    73   0.15000  1.0 3.0
   78    65    74    75   0.15000  1.0 3.0
   78    65    74    76   0.15000  1.0 3.0
   78    65    74    77   0.15000  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
   41    62    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   52    53    47    45   4.00000 -1.0 2.0
   62    64    52    47   4.00000 -1.0 2.0
   52    63    62    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
END
