* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    149    250     438
    1     0 S   NP   _N1_     1    29.25834    97.73551   -18.67110
    2     1 S   H    _HN1     2     1.02963    89.40295    50.59559
    3     1 S   H    _H1_     3     1.02828    47.94683   164.34142
    4     1 S   H    _H2_     4     1.02770    72.11070   -58.94395
    5     1 S   CT   _CA1     5     1.50195   155.87238  -163.69785
    6     5 S   HC   _HA1     6     1.09585   105.10640    34.18435
    7     5 S   CO3  _C1_     7     1.53764   112.52691   -85.59339
    8     7 S   O2Z  _O11     8     1.26361   114.96174   -37.83780
    9     7 S   O2Z  _O12     9     1.26230   114.91177   141.16349
   10     5 S   CT   _CB1    10     1.53108   107.32197   151.86384
   11    10 S   HC   HB11    11     1.09800   108.92782   -51.15771
   12    10 S   HC   HB12    12     1.09815   110.49945    65.21944
   13    10 S   CT   _CG1    13     1.52995   112.87838  -172.52381
   14    13 S   HC   HG11    14     1.09504   110.24312   -67.36023
   15    13 S   HC   HG12    15     1.09659   110.13641    51.49252
   16    13 S   C    _CD1    16     1.51913   112.37860   170.96947
   17    16 S   O    _OE1    17     1.22735   123.09437   -17.16796
   18    16 S   N    _N2_    18     1.38531   111.83504   165.00092
   19    18 S   H    _HN2    19     1.01593   118.92616    -2.72053
   20    18 S   CT1  _CA2    20     1.46281   123.59290   176.46127
   21    20 S   HC   _HA2    21     1.09738   109.36702   -16.09837
   22    20 S   C    _C2_    22     1.53519   107.76850  -131.39460
   23    22 S   O    _O2_    23     1.23004   122.39401  -145.00451
   24    20 S   CT   _CB2    32     1.53359   111.57399   106.58255
   25    24 S   HC   HB21    33     1.09332   109.39669    51.23992
   26    24 S   HC   HB22    34     1.09508   110.59311   169.31994
   27    22 S   N    _N3_    24     1.38560   113.27864    42.32121
   28    27 S   H    _HN3    25     1.01532   118.88363    -0.59709
   29    24 S   S    _SG2    35     1.82948   111.68865   -72.40180
   30    27 S   CT   _CA3    26     1.45446   123.47847   175.14405
   31    30 S   HC   HA31    27     1.09522   109.24411    24.08500
   32    30 S   HC   HA32    28     1.09495   107.11312   141.09627
   33    29 S   CT   _C9_    36     1.87691   101.95785   140.54288
   34    30 S   CO3  _C3_    29     1.52928   113.13644   -99.39689
   35    34 S   O2Z  _O31    30     1.26400   115.42846   -43.69278
   36    34 S   O2Z  _O32    31     1.26357   114.96619   137.24610
   37    33 S   CA   _C13    37     1.53262   108.80146   -67.47364
   38    33 S   CT   _C8_    58     1.57664   108.98417    58.59222
   39    38 S   HC   _H10    59     1.09349   114.54578   -45.52060
   40    38 S   HC   _H11    60     1.09847   110.04572  -165.97781
   41    37 S   CA   _C14    38     1.40261   122.51230   112.43033
   42    41 S   HA   _H12    39     1.08631   121.32753     0.28531
   43    38 S   C4T  _C7_    61     1.52812   104.76656    77.31918
   44    43 S   HC   _H5_    62     1.09625   114.00195   -84.82327
   45    41 S   CA   _C15    40     1.40180   121.45607  -178.83014
   46    45 S   HA   _H13    41     1.08841   118.16427  -179.58504
   47    43 S   C4T  _C6_    63     1.55886   123.05225   128.05782
   48    47 S   HC   _H4_    64     1.09826   112.81639    15.10920
   49    43 S   N4   _N4_    67     1.46811   100.83986    34.55841
   50    45 S   CA   _C16    42     1.40168   121.41251     0.07662
   51    47 S   C4   _C11    65     1.54811    85.25003   -96.84023
   52    51 S   O    _O33    66     1.20992   135.90128   169.88151
   53    33 S   CT1  _C10    68     1.57364   110.87314   168.74187
   54    53 S   HC   _H6_    69     1.10151   107.84908   161.97629
   55    47 S   CT   _C5_    73     1.52236   116.27355   146.75920
   56    55 S   HC   _H3_    74     1.09594   111.06920    49.32965
   57    50 S   CA   _C17    43     1.40065   117.26212     0.08623
   58    57 S   HA   _H14    44     1.08803   120.56858   178.97703
   59    50 S   CA   _C19    47     1.47467   121.46119   179.50941
   60    53 S   CO3  _C12    70     1.54278   122.71097    38.70093
   61    60 S   O2Z  _O35    71     1.26522   114.73491   100.62577
   62    60 S   O2Z  _O34    72     1.26328   116.26117   -80.66478
   63    55 S   CT   _C4_    75     1.52168   110.83337   172.00409
   64    63 S   HC   _H7_    76     1.09581   110.97691    59.02637
   65    63 S   HC   _H8_    77     1.09393   111.59349   -61.83407
   66    63 S   HC   _H9_    78     1.09524   110.53983   177.30826
   67    55 S   OH   _O36    79     1.42560   107.94365   -68.84694
   68    67 S   HO   _H21    80     0.97259   107.51253   179.20969
   69    37 S   CA   _C18    45     1.40425   120.55242   -65.69998
   70    69 S   HA   _H15    46     1.08649   120.79084     0.60620
   71    59 S   CA   _C20    48     1.40648   121.14679   -46.44486
   72    71 S   HA   _H16    49     1.08799   120.51057    -0.57912
   73    71 S   CA   _C21    50     1.39762   121.15996  -179.59700
   74    73 S   HA   _H17    51     1.08620   119.88898   179.59652
   75    73 S   CA   _C22    52     1.39169   120.11112    -0.01978
   76    75 S   HA   _H18    53     1.08587   120.12159   179.77358
   77    75 S   CA   _C23    54     1.39164   119.76284     0.01978
   78    77 S   HA   _H19    55     1.08619   120.02814   179.82754
   79    59 S   CA   _C24    56     1.40637   121.16446   133.95959
   80    79 S   HA   _H20    57     1.08815   120.49393    -0.58617
  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  12   5   4   3
  20   2   1   1  17  14   6   5   9   4  13   6   8   3  13   7
   8  11   8   2   5   3   7   6   6   3  10   2   1   1   5   3
   2   1   1   1   1   1   8   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    69    38    39    40    43    49    53    54    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    57    69    70    38    39    40    43    44    47    51    49    53    54    60    61    62  
   35    36  
   36  
    0  
   41    42    45    46    50    57    58    69    70    38    39    40    43    49    53    54    60  
   39    40    43    44    47    48    51    49    53    54    60    55    41    69  
   40    43    44    47    49    53  
   43    44    47    49    53  
   42    45    46    50    57    69    70    59    53  
   45    46    50    69  
   44    47    48    51    52    49    53    54    60    55    56    63    67  
   47    48    51    49    53    55  
   46    50    57    58    69    59    71    79  
   50    57    59  
   48    51    52    49    53    55    56    63    64    65    66    67    68  
   51    52    49    55    56    63    67  
   53    54    60    61    62    55    51    52  
   57    58    69    70    59    71    72    73    77    79    80  
   52    53    54    60    55    56    63    67  
   53    55  
   54    60    61    62    69  
   60    61    62  
   56    63    64    65    66    67    68  
   63    64    65    66    67    68  
   58    69    70    59    71    79  
   69    70    59  
   71    72    73    74    75    77    78    79    80    69  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68  
    0  
   70  
    0  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    53   268.000  1.529
   37    41   469.000  1.400
   37    69   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    57   469.000  1.400
   50    59   375.000  1.464
   57    58   367.000  1.080
   57    69   469.000  1.400
   69    70   367.000  1.080
   59    71   469.000  1.400
   59    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   260.000  1.519
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   305.000  1.456
   47    48   340.000  1.090
   47    51   250.000  1.540
   47    55   260.000  1.519
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  108.68000
   33    37    41    70.00000  120.00000
   33    37    69    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.98000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    60    63.00000  111.10000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    69    57    63.00000  120.00000
   37    69    70    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    50    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    50    59    60.00000  122.76000
   50    45    46    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    69    63.00000  120.00000
   50    59    71    60.00000  122.76000
   50    59    79    60.00000  122.76000
   57    69    70    35.00000  120.00000
   69    37    41    63.00000  120.00000
   69    57    58    35.00000  120.00000
   59    50    57    60.00000  122.76000
   59    71    72    35.00000  120.00000
   59    71    73    63.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    59    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
   38    33    37    70.00000  112.17500
   38    43    44    45.00000  112.72800
   38    43    47    65.00000  119.52000
   38    43    49    80.00000  110.05700
   40    38    39    33.00000  107.80000
   43    38    39    45.00000  111.22300
   43    38    40    45.00000  111.22300
   43    47    48    37.50000  110.70000
   43    47    51   100.00000   86.36000
   43    47    55    65.00000  119.52000
   43    49    51   100.00000   93.00000
   43    49    53    50.00000  132.70000
   47    43    44    37.50000  110.70000
   47    51    52    60.00000  136.58000
   47    51    49    95.00000   92.72400
   47    55    56    45.00000  111.22300
   47    55    63    70.00000  112.98000
   47    55    67    50.00000  109.50000
   51    47    48    40.00000  113.37500
   51    49    53    50.00000  132.10000
   49    43    44    50.00000  112.01000
   49    43    47   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    60    63.00000  110.10000
   53    33    37    63.00000  114.00000
   53    33    38    58.35000  112.70000
   53    60    61    70.00000  117.00000
   53    60    62    70.00000  117.00000
   60    53    54    35.00000  109.50000
   62    60    61    80.00000  126.00000
   55    47    48    45.00000  112.72800
   55    47    51    63.00000  111.10000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    55.00000  108.50000
   63    55    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    56    35.00000  109.50000
   67    55    63    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    69  -0.16000  1.0 1.0
   29    33    37    69  -0.03200 -1.0 2.0
   29    33    37    69   0.04500  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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60  -2.17200  1.0 1.0
   29    33    53    60  -0.85700 -1.0 2.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    69    57   3.62500 -1.0 2.0
   33    37    69    70   3.62500 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.04050  1.0 1.0
   33    38    43    47   0.63700 -1.0 2.0
   33    38    43    47   0.17650  1.0 3.0
   33    38   -43    49   0.43900  1.0 1.0
   33    38   -43    49   0.49100 -1.0 2.0
   33    38   -43    49   0.28400  1.0 3.0
   33    53    60    61   0.00000  1.0 1.0
   33    53    60    62   0.00000  1.0 1.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    43  -0.03700  1.0 1.0
   37    33    38    43   0.37200 -1.0 2.0
   37    33    38    43  -0.47300  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    60  -0.84850  1.0 1.0
   37    33    53    60  -0.22800 -1.0 2.0
   37    33    53    60   0.29250  1.0 3.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    50   3.62500 -1.0 2.0
   41    37    69    57   3.62500 -1.0 2.0
   41    37    69    70   3.62500 -1.0 2.0
   41    45   -50    57   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    69   3.62500 -1.0 2.0
   45    50    59    71  -0.19450  1.0 1.0
   45    50    59    71   0.63300 -1.0 2.0
   45    50    59    71   0.07450  1.0 3.0
   45    50    59    79  -0.19450  1.0 1.0
   45    50    59    79   0.63300 -1.0 2.0
   45    50    59    79   0.07450  1.0 3.0
   46    45    50    57   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    57   -69    37   3.62500 -1.0 2.0
   50    57    69    70   3.62500 -1.0 2.0
   50    59    71    72   3.62500 -1.0 2.0
   50    59    71    73   3.62500 -1.0 2.0
   50    59    79    77   3.62500 -1.0 2.0
   50    59    79    80   3.62500 -1.0 2.0
   57    50    59    71  -0.19450  1.0 1.0
   57    50    59    71   0.63300 -1.0 2.0
   57    50    59    71   0.07450  1.0 3.0
   57    50    59    79  -0.19450  1.0 1.0
   57    50    59    79   0.63300 -1.0 2.0
   57    50    59    79   0.07450  1.0 3.0
   58    57    69    37   3.62500 -1.0 2.0
   58    57    69    70   3.62500 -1.0 2.0
   69    37    41    42   3.62500 -1.0 2.0
   69    37   -41    45   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    69   3.62500 -1.0 2.0
   59    71    73    74   3.62500 -1.0 2.0
   59    71    73    75   3.62500 -1.0 2.0
   71    59    79    77   3.62500 -1.0 2.0
   71    59    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    59   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    59   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    59    71    72   3.62500 -1.0 2.0
   79    59   -71    73   3.62500 -1.0 2.0
   38    33    37    41   0.04150 -1.0 2.0
   38    33    37    69   0.04150 -1.0 2.0
   38    33   -53    49   0.42250  1.0 1.0
   38    33   -53    49  -0.48100 -1.0 2.0
   38    33   -53    49   0.35650  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60  -0.84850  1.0 1.0
   38    33    53    60  -0.22800 -1.0 2.0
   38    33    53    60   0.29250  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    51  -0.95700  1.0 1.0
   38    43    47    51  -0.18200 -1.0 2.0
   38    43    47    51   0.29450  1.0 3.0
   38    43    47    55   0.56750  1.0 1.0
   38    43    47    55  -0.07550 -1.0 2.0
   38    43    47    55   0.20000  1.0 3.0
   38    43   -49    51   0.00000  1.0 1.0
   38    43   -49    53   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.00000  1.0 1.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.00000  1.0 1.0
   40    38    43    49   0.15000  1.0 3.0
   43    47    51    52  -0.11250  1.0 1.0
   43    47    51    52   0.11400 -1.0 2.0
   43    47    51    52  -0.28950  1.0 3.0
   43    47   -51    49   3.00000 -1.0 2.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    63   0.04050  1.0 1.0
   43    47    55    63   0.63700 -1.0 2.0
   43    47    55    63   0.17650  1.0 3.0
   43    47    55    67   0.86500  1.0 1.0
   43    47    55    67  -0.17500 -1.0 2.0
   43    47    55    67   0.20800  1.0 3.0
   43    49   -53    33   0.00000  1.0 1.0
   43    49    53    54   0.00000  1.0 1.0
   43    49    53    60   0.00000  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    55   0.15000  1.0 3.0
   44    43   -49    51   0.00000  1.0 1.0
   44    43    49    53   0.00000  1.0 1.0
   47    43   -49    51   0.00000  1.0 1.0
   47    43    49    53   0.00000  1.0 1.0
   47    51   -49    43   3.00000 -1.0 2.0
   47    51   -49    53   3.00000 -1.0 2.0
   47    55    63    64   0.15000  1.0 3.0
   47    55    63    65   0.15000  1.0 3.0
   47    55    63    66   0.15000  1.0 3.0
   47    55    67    68  -0.11600  1.0 1.0
   47    55    67    68  -0.09450 -1.0 2.0
   47    55    67    68   0.21250  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49   0.00000  1.0 1.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    63   0.15000  1.0 3.0
   48    47    55    67   0.23400  1.0 3.0
   51    47    55    56  -0.11250  1.0 3.0
   51    47    55    63  -0.95700  1.0 1.0
   51    47    55    63  -0.18200 -1.0 2.0
   51    47    55    63   0.29450  1.0 3.0
   51    47    55    67  -0.09450  1.0 1.0
   51    47    55    67  -1.12950 -1.0 2.0
   51    47    55    67   0.54000  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    60   0.00000  1.0 1.0
   52    51   -49    43   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    43   -47    48   0.15000  1.0 3.0
   49    43   -47    51   3.00000 -1.0 2.0
   49    43    47    55   0.43900  1.0 1.0
   49    43    47    55   0.49100 -1.0 2.0
   49    43    47    55   0.28400  1.0 3.0
   49    53    60    61   0.00000  1.0 1.0
   49    53    60    62   0.00000  1.0 1.0
   53    33    37    41   0.00000  1.0 1.0
   53    33    37    69   0.00000  1.0 1.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    43   0.31550 -1.0 2.0
   53    33   -38    43   0.11250  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   55    47    51    52   0.30150 -1.0 2.0
   55    47   -51    49   1.39750  1.0 1.0
   55    47   -51    49  -0.07950 -1.0 2.0
   55    47   -51    49  -0.18750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    67    68   0.19450  1.0 3.0
   63    55    67    68  -0.11600  1.0 1.0
   63    55    67    68  -0.09450 -1.0 2.0
   63    55    67    68   0.21250  1.0 3.0
   67    55    63    64   0.23400  1.0 3.0
   67    55    63    65   0.23400  1.0 3.0
   67    55    63    66   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   41    69    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   50    46    45    41   1.10000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   69    58    57    50   1.10000 -1.0 2.0
   57    70    69    37   1.10000 -1.0 2.0
   71    79    59    50   4.00000 -1.0 2.0
   73    72    71    59   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    59   1.10000 -1.0 2.0
   47    49    51    52  10.50000 -1.0 2.0
   53    51    49    43   1.00000 -1.0 2.0
   61    53    60    62  10.50000 -1.0 2.0
END
