* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    252     454
    1     0 S   NP   _N1_     1    28.79007    95.74476   -22.27857
    2     1 S   H    _HN1     2     1.02784    95.86674   -68.57380
    3     1 S   H    _H1_     3     1.02950    77.98663    38.95471
    4     1 S   H    _H2_     4     1.02832    37.46057   179.51342
    5     1 S   CT   _CA1     5     1.50072   145.00039   147.51797
    6     5 S   HC   _HA1     6     1.09593   105.18739    79.26083
    7     5 S   CO3  _C1_     7     1.53635   112.49189   -40.76077
    8     7 S   O2Z  _O11     8     1.26334   115.10293   -45.86905
    9     7 S   O2Z  _O12     9     1.26247   114.85467   133.37394
   10     5 S   CT   _CB1    10     1.53068   107.44557  -163.09866
   11    10 S   HC   HB11    11     1.09819   108.93728   -53.60957
   12    10 S   HC   HB12    12     1.09811   110.60930    62.82765
   13    10 S   CT   _CG1    13     1.52994   112.68934  -174.87478
   14    13 S   HC   HG11    14     1.09629   110.39073   -69.07417
   15    13 S   HC   HG12    15     1.09680   109.95420    50.08944
   16    13 S   C    _CD1    16     1.51812   112.42532   170.09865
   17    16 S   O    _OE1    17     1.22717   123.31824    -1.52944
   18    16 S   N    _N2_    18     1.38598   111.53777   179.34688
   19    18 S   H    _HN2    19     1.01580   118.96924    -0.49059
   20    18 S   CT1  _CA2    20     1.46234   123.47944   175.99449
   21    20 S   HC   _HA2    21     1.09741   109.43201    -4.59610
   22    20 S   C    _C2_    22     1.53542   108.05076  -119.77204
   23    22 S   O    _O2_    23     1.23026   122.53958  -147.10652
   24    20 S   CT   _CB2    32     1.53317   111.59767   117.75574
   25    24 S   HC   HB21    33     1.09440   109.62721    53.37504
   26    24 S   HC   HB22    34     1.09459   109.90410   172.28398
   27    22 S   N    _N3_    24     1.38422   113.47470    40.40137
   28    27 S   H    _HN3    25     1.01615   119.48800    -3.55341
   29    24 S   S    _SG2    35     1.83340   111.01793   -68.10425
   30    27 S   CT   _CA3    26     1.45271   123.15104   177.02382
   31    30 S   HC   HA31    27     1.09551   107.53694   -63.67205
   32    30 S   HC   HA32    28     1.09558   107.94125    52.74137
   33    29 S   CT   _C12    36     1.85934   101.56439   173.89979
   34    33 S   OM   _O35    37     1.32358   108.96961    61.03812
   35    30 S   CO3  _C3_    29     1.52936   114.12506   174.71665
   36    35 S   O2Z  _O31    30     1.26368   116.07241    -0.70471
   37    35 S   O2Z  _O32    31     1.26432   114.40516   179.34568
   38    33 S   CO4  _C13    38     1.54252   107.99724   172.44223
   39    38 S   O    _O34    39     1.23106   123.94120   -20.61597
   40    33 S   CT   _C11    52     1.55928   113.75433   -62.73947
   41    40 S   HC   _H3_    53     1.10329   107.14449    76.05342
   42    38 S   CA   _C7_    40     1.48837   118.11463   161.46088
   43    40 S   CT   _C14    54     1.57041   117.19662   -42.19020
   44    43 S   HC   _H8_    55     1.09732   107.38495    57.50426
   45    42 S   CA   _C6_    41     1.40185   119.15964   169.47079
   46    45 S   HA   _H6_    42     1.08715   121.08978     0.76847
   47    43 S   CT   _C15    56     1.53924   115.16899   -61.40176
   48    47 S   HC   _H9_    57     1.09369   110.77284    57.81684
   49    47 S   HC   _H10    58     1.09552   110.36459   -61.00788
   50    45 S   CA   _C5_    43     1.39524   120.25565  -178.66016
   51    50 S   HA   _H5_    44     1.08633   119.94991   179.80021
   52    47 S   CT   _C16    59     1.53102   111.96377   178.18663
   53    52 S   HC   _H11    60     1.09722   109.16157   177.52670
   54    52 S   HC   _H12    61     1.09754   108.80797   -66.62815
   55    50 S   CA   _C4_    45     1.39240   120.02724     0.05935
   56    55 S   HA   _H4_    46     1.08629   120.02432   179.90309
   57    52 S   CT   _C17    62     1.53608   111.43830    55.80486
   58    57 S   HC   _H13    63     1.09965   106.99523    60.36050
   59    55 S   CA   _C9_    47     1.39473   119.99163    -0.27554
   60    59 S   HA   _H7_    48     1.08712   118.75742  -179.41516
   61    57 S   CA   _C20    64     1.51720   112.11919   178.37936
   62    57 S   CT   _C18    75     1.53605   110.48735   -55.92531
   63    62 S   HC   _H14    76     1.09741   110.81145   -65.10637
   64    62 S   HC   _H15    77     1.09713   110.07637   177.26405
   65    42 S   CA   _C8_    49     1.39541   121.20127    -9.61127
   66    61 S   CA   _C21    65     1.40401   119.70771  -118.73104
   67    66 S   HA   _H18    66     1.08752   120.39959    -0.03956
   68    43 S   CT   _C19    78     1.54520   111.74277   172.17933
   69    68 S   HC   _H16    79     1.09590   110.54936    63.61886
   70    68 S   HC   _H17    80     1.09641   109.88201   -54.46838
   71    65 S   CO4  _C10    50     1.47900   121.11789    -2.83366
   72    71 S   O    _O33    51     1.22935   119.67479   169.11313
   73    66 S   CA   _C22    67     1.39661   120.83975   179.91607
   74    73 S   HA   _H19    68     1.08660   119.39133  -179.96044
   75    73 S   CA   _C23    69     1.39273   119.70857     0.00000
   76    75 S   Cl   Cl1_    70     1.72167   119.81599  -179.94405
   77    75 S   CA   _C24    71     1.39254   120.35028     0.06256
   78    77 S   HA   _H20    72     1.08680   120.90938  -179.90721
   79    61 S   CA   _C25    73     1.40293   121.76155    61.28577
   80    79 S   HA   _H21    74     1.08727   120.56376     0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  11   4  16   7  10  17   9   8   4  13   6
   5   6   3  11   5   4   5   3  14   7   4   2  13   7   4   3
   2   8   4   3   1   1   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    71    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    65    71    72    40    41    43    44    47    68  
   38    39    42    71    40    41    43  
   36    37  
   37  
    0  
   39    42    45    46    50    59    65    71    40    41    43  
   42    45    65    40  
   41    43    44    47    48    49    52    62    68    69    70    42    59    65    71    72  
   43    44    47    68    65    71    72  
   45    46    50    51    55    59    60    65    71    72  
   44    47    48    49    52    53    54    57    62    63    64    68    69    70    65    71    72  
   47    48    49    52    62    68    69    70    71  
   46    50    51    55    56    59    65    71  
   50    51    55    65  
   48    49    52    53    54    57    58    61    62    68    69    70    71  
   49    52    53    54    57    68  
   52    53    54    57    68  
   51    55    56    59    60    65  
   55    56    59  
   53    54    57    58    61    66    79    62    63    64    68  
   54    57    58    61    62  
   57    58    61    62  
   56    59    60    65    71  
   59    60    65  
   58    61    66    67    73    77    79    80    62    63    64    68    69    70  
   61    66    79    62    63    64    68  
   60    65    71    72  
   65    71  
   66    67    73    74    75    77    78    79    80    62    63    64    68  
   63    64    68    69    70    66    79  
   64    68    69    70  
   68    69    70  
   71    72  
   67    73    74    75    76    77    79    80  
   73    74    75    79  
   69    70    71  
   70  
    0  
   72  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    45   469.000  1.400
   42    65   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    71   310.000  1.470
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    68   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    61   317.000  1.510
   57    62   268.000  1.529
   61    66   469.000  1.400
   61    79   469.000  1.400
   66    67   367.000  1.080
   66    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   38    33    34    90.00000  108.74100
   38    42    45    60.00000  119.52600
   38    42    65    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    71    60.00000  119.52600
   45    50    51    35.00000  120.00000
   45    50    55    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    59    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    65    71    60.00000  119.52600
   65    42    45    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    71    72    75.00000  123.78400
   65    71    40    65.00000  115.47100
   71    40    41    35.00000  109.50000
   71    40    43    63.00000  111.10000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    71    72    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    47    58.35000  112.70000
   40    43    68    58.35000  112.70000
   43    40    41    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   43    68    62    58.35000  112.70000
   43    68    69    37.50000  110.70000
   43    68    70    37.50000  110.70000
   47    43    44    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    61    70.00000  112.17500
   52    57    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    61    66    70.00000  120.00000
   57    61    79    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   61    57    58    35.00000  109.50000
   61    66    67    35.00000  120.00000
   61    66    73    63.00000  120.00000
   61    79    77    63.00000  120.00000
   61    79    80    35.00000  120.00000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   73    66    67    35.00000  120.00000
   73    75    76    75.00000  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    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    61    66    63.00000  120.00000
   79    77    78    35.00000  120.00000
   62    57    58    37.50000  110.70000
   62    57    61    70.00000  112.17500
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    43    44    37.50000  110.70000
   68    43    47    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   70    68    69    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    45   2.26350  1.0 1.0
   33    38    42    45   0.76750 -1.0 2.0
   33    38    42    45   0.22500  1.0 3.0
   33    38    42    65   2.26350  1.0 1.0
   33    38    42    65   0.76750 -1.0 2.0
   33    38    42    65   0.22500  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    47   0.56750  1.0 1.0
   33    40    43    47  -0.07550 -1.0 2.0
   33    40    43    47   0.20000  1.0 3.0
   33    40    43    68   0.56750  1.0 1.0
   33    40    43    68  -0.07550 -1.0 2.0
   33    40    43    68   0.20000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    71  -0.09450  1.0 1.0
   34    33    40    71  -1.12950 -1.0 2.0
   34    33    40    71   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.62750  1.0 1.0
   34    33    40    43  -0.30950 -1.0 2.0
   34    33    40    43   0.27300  1.0 3.0
   38    33    40    71   0.11950  1.0 1.0
   38    33    40    71   0.20300 -1.0 2.0
   38    33    40    71  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.95700  1.0 1.0
   38    33    40    43  -0.18200 -1.0 2.0
   38    33    40    43   0.29450  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    65    59   3.62500 -1.0 2.0
   38    42   -65    71   3.62500 -1.0 2.0
   39    38    42    45   1.05000 -1.0 2.0
   39    38    42    65   1.05000 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    55   3.62500 -1.0 2.0
   42    65    71    72   1.05000 -1.0 2.0
   42    65    71    40   2.26350  1.0 1.0
   42    65    71    40   0.76750 -1.0 2.0
   42    65    71    40   0.22500  1.0 3.0
   45    42    65    59   3.62500 -1.0 2.0
   45    42    65    71   3.62500 -1.0 2.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50   -55    59   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    55   3.62500 -1.0 2.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55    59    65   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    59   3.62500 -1.0 2.0
   55    59   -65    42   3.62500 -1.0 2.0
   55    59    65    71   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    65   3.62500 -1.0 2.0
   59    65    71    72   1.05000 -1.0 2.0
   59    65    71    40   2.26350  1.0 1.0
   59    65    71    40   0.76750 -1.0 2.0
   59    65    71    40   0.22500  1.0 3.0
   60    59    65    42   3.62500 -1.0 2.0
   60    59    65    71   3.62500 -1.0 2.0
   65    42    45    46   3.62500 -1.0 2.0
   65    42   -45    50   3.62500 -1.0 2.0
   65    71   -40    33   0.05850 -1.0 2.0
   65    71   -40    33   0.17250  1.0 3.0
   65    71    40    41   0.00000  1.0 1.0
   65    71    40    43   0.05850 -1.0 2.0
   65    71    40    43   0.17250  1.0 3.0
   71    40    43    44  -0.11250  1.0 3.0
   71    40    43    47  -0.95700  1.0 1.0
   71    40    43    47  -0.18200 -1.0 2.0
   71    40    43    47   0.29450  1.0 3.0
   71    40    43    68  -0.95700  1.0 1.0
   71    40    43    68  -0.18200 -1.0 2.0
   71    40    43    68   0.29450  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   72    71    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    52   0.56750  1.0 1.0
   40    43    47    52  -0.07550 -1.0 2.0
   40    43    47    52   0.20000  1.0 3.0
   40    43    68    62   0.56750  1.0 1.0
   40    43    68    62  -0.07550 -1.0 2.0
   40    43    68    62   0.20000  1.0 3.0
   40    43    68    69   0.15000  1.0 3.0
   40    43    68    70   0.15000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   41    40    43    68   0.15000  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    57   0.56750  1.0 1.0
   43    47    52    57  -0.07550 -1.0 2.0
   43    47    52    57   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    68    62   0.15000  1.0 3.0
   44    43    68    69   0.15000  1.0 3.0
   44    43    68    70   0.15000  1.0 3.0
   47    43    68    62   0.56750  1.0 1.0
   47    43    68    62  -0.07550 -1.0 2.0
   47    43    68    62   0.20000  1.0 3.0
   47    43    68    69   0.15000  1.0 3.0
   47    43    68    70   0.15000  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    61  -0.03700  1.0 1.0
   47    52    57    61   0.37200 -1.0 2.0
   47    52    57    61  -0.47300  1.0 3.0
   47    52   -57    62   0.56750  1.0 1.0
   47    52   -57    62  -0.07550 -1.0 2.0
   47    52   -57    62   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   52    57    61    66   0.04150 -1.0 2.0
   52    57    61    79   0.04150 -1.0 2.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    68   0.56750  1.0 1.0
   52    57    62    68  -0.07550 -1.0 2.0
   52    57    62    68   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    61   0.43200  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    61   0.43200  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   57    61    66    67   3.62500 -1.0 2.0
   57    61    66    73   3.62500 -1.0 2.0
   57    61    79    77   3.62500 -1.0 2.0
   57    61    79    80   3.62500 -1.0 2.0
   57    62   -68    43   0.56750  1.0 1.0
   57    62   -68    43  -0.07550 -1.0 2.0
   57    62   -68    43   0.20000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   58    57    61    79   0.00000  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   61    57    62    63   0.43200  1.0 3.0
   61    57    62    64   0.43200  1.0 3.0
   61    57    62    68  -0.03700  1.0 1.0
   61    57    62    68   0.37200 -1.0 2.0
   61    57    62    68  -0.47300  1.0 3.0
   61    66    73    74   3.62500 -1.0 2.0
   61    66    73    75   3.62500 -1.0 2.0
   66    61    79    77   3.62500 -1.0 2.0
   66    61    79    80   3.62500 -1.0 2.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73   -75    77   3.62500 -1.0 2.0
   67    66    73    74   3.62500 -1.0 2.0
   67    66    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    61   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    61   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    61    66    67   3.62500 -1.0 2.0
   79    61   -66    73   3.62500 -1.0 2.0
   62    57    61    66   0.04150 -1.0 2.0
   62    57    61    79   0.04150 -1.0 2.0
   63    62    68    43   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   64    62    68    43   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   68    43    47    48   0.15000  1.0 3.0
   68    43    47    49   0.15000  1.0 3.0
   68    43   -47    52   0.56750  1.0 1.0
   68    43   -47    52  -0.07550 -1.0 2.0
   68    43   -47    52   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
   33    42    38    39  10.50000 -1.0 2.0
   45    65    42    38   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   59    56    55    50   1.10000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   59    71    65    42   4.00000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
   66    79    61    57   4.00000 -1.0 2.0
   73    67    66    61   1.10000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    61   1.10000 -1.0 2.0
END
