* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    230     431
    1     0 S   NP   _N1_     1    28.74447    94.32993   -25.37392
    2     1 S   H    _HN1     2     1.02950    81.05338    15.39336
    3     1 S   H    _H1_     3     1.02828    26.10492  -169.18617
    4     1 S   H    _H2_     4     1.02785   115.52265   -90.76441
    5     1 S   CT   _CA1     5     1.50111   123.69675   124.00445
    6     5 S   HC   _HA1     6     1.09572   105.19692    84.86155
    7     5 S   CO3  _C1_     7     1.53792   112.46974   -35.37484
    8     7 S   O2Z  _O11     8     1.26372   115.00787   -42.32513
    9     7 S   O2Z  _O12     9     1.26241   114.94968   136.81613
   10     5 S   CT   _CB1    10     1.53080   107.41980  -157.14977
   11    10 S   HC   HB11    11     1.09832   109.38031   -49.68639
   12    10 S   HC   HB12    12     1.09813   110.44250    66.92650
   13    10 S   CT   _CG1    13     1.52984   112.60070  -170.66622
   14    13 S   HC   HG11    14     1.09583   110.61907   -65.47530
   15    13 S   HC   HG12    15     1.09670   109.79704    53.75428
   16    13 S   C    _CD1    16     1.51798   112.24884   174.21169
   17    16 S   O    _OE1    17     1.22727   123.29653     6.34981
   18    16 S   N    _N2_    18     1.38648   111.64358  -173.72630
   19    18 S   H    _HN2    19     1.01576   118.92914     1.86603
   20    18 S   CT1  _CA2    20     1.46202   123.42265   177.81519
   21    20 S   HC   _HA2    21     1.09732   109.37302     2.95817
   22    20 S   C    _C2_    22     1.53557   108.63754  -112.57571
   23    22 S   O    _O2_    23     1.23061   122.28834  -147.92472
   24    20 S   CT   _CB2    32     1.53302   111.53530   124.96157
   25    24 S   HC   HB21    33     1.09599   110.01840    56.02870
   26    24 S   HC   HB22    34     1.09436   110.16769   174.97882
   27    22 S   N    _N3_    24     1.38330   113.71215    39.51242
   28    27 S   H    _HN3    25     1.01582   119.58128    -3.28771
   29    24 S   S    _SG2    35     1.82926   111.52011   -64.60123
   30    27 S   CT   _CA3    26     1.45286   123.21725   177.14508
   31    30 S   HC   HA31    27     1.09549   107.50653   -64.66637
   32    30 S   HC   HA32    28     1.09557   107.98937    51.77214
   33    29 S   CT   _C18    36     1.86547    99.40944   177.78521
   34    33 S   HC   _H5_    37     1.09047   104.56634   -32.65883
   35    30 S   CO3  _C3_    29     1.52961   114.08067   173.77241
   36    35 S   O2Z  _O31    30     1.26376   116.07002    -0.69352
   37    35 S   O2Z  _O32    31     1.26428   114.41204   179.36665
   38    33 S   CT   _C17    38     1.54918   105.87984    84.71766
   39    38 S   HC   _H25    39     1.09761   109.91010    78.88580
   40    38 S   HC   _H26    40     1.09864   109.90554   -36.24133
   41    33 S   CT   _C5_    59     1.56438   110.85791  -148.91804
   42    38 S   CT   _C16    41     1.53520   117.78799  -156.85829
   43    42 S   HC   _H23    42     1.08946   111.55865   -72.85789
   44    42 S   HC   _H24    43     1.09984   106.95428   174.93067
   45    41 S   CT   _C4_    60     1.54548   112.57803    49.57106
   46    45 S   HC   _H6_    61     1.09520   111.95782   -71.96618
   47    45 S   HC   _H7_    62     1.09670   110.87163   171.28246
   48    45 S   HC   _H8_    63     1.09420   112.01778    50.57732
   49    41 S   OH   _O33    64     1.43885   108.08098   -68.26337
   50    49 S   HO   _H27    65     0.97248   108.15700   175.61188
   51    42 S   CM   _C14    44     1.50556   114.40408    54.63036
   52    51 S   C4T  _C9_    45     1.49430   120.72353   -86.18627
   53    52 S   HC   _H4_    46     1.09965   109.90416   105.95492
   54    51 S   CM   _C15    74     1.34343   121.24652    92.01921
   55    54 S   HC   _H21    75     1.08519   121.90263  -178.63973
   56    54 S   HC   _H22    76     1.08539   121.17714     0.73329
   57    52 S   C4T  _C10    47     1.55667   115.92376  -126.86855
   58    57 S   HC   _H13    48     1.09479   115.33521   -96.02693
   59    57 S   HC   _H14    49     1.09796   114.44820    30.25354
   60    52 S   C4T  _C8_    51     1.56618   118.69250   -25.61577
   61    60 S   HC   _H3_    52     1.10111   113.26118   -33.07484
   62    57 S   C4T  _C11    50     1.55528    88.24819   146.01444
   63    60 S   CT   _C7_    53     1.52904   119.00113    98.27110
   64    63 S   HC   _H11    54     1.09799   107.53969   152.38505
   65    63 S   HC   _H12    55     1.09394   111.07035    36.63183
   66    63 S   CT   _C6_    56     1.53417   112.81448   -89.90998
   67    66 S   HC   _H9_    57     1.10096   106.82436  -134.78257
   68    66 S   HC   _H10    58     1.09359   111.99980   -23.44857
   69    62 S   CT   _C12    66     1.52827   113.53479  -139.36720
   70    69 S   HC   _H15    67     1.09528   110.76848   169.15365
   71    69 S   HC   _H16    68     1.09548   111.74036    49.15869
   72    69 S   HC   _H17    69     1.09537   110.92492   -70.81742
   73    62 S   CT   _C13    70     1.53155   113.26244    93.27428
   74    73 S   HC   _H18    71     1.09526   110.90210  -171.20730
   75    73 S   HC   _H19    72     1.09565   110.68299    69.26430
   76    73 S   HC   _H20    73     1.09465   112.26451   -50.70420
  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  10   5   4   3
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   5   1  12  16   8   4   1   1  14   5   4  16   7  12   7   4
   3   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    63    66    67    68    41    45    46    47    48    49    50  
   38    39    40    42    66    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    66    41    45    49    54  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    42    60    63    64    65    66    67    68  
   43    44    51    52    53    57    60    54    55    56  
   44    51    52    54  
   51    52    54  
   46    47    48    49    50    63    66    67    68  
   47    48    49    66  
   48    49    66  
   49    66  
   50    63    66    67    68  
   66  
   52    53    57    58    59    62    60    61    63    54    55    56  
   53    57    58    59    62    60    61    63    64    65    66    69    73    54    55    56  
   57    58    59    62    60    61    63    54  
   55    56    57    60  
   56  
    0  
   58    59    62    60    61    63    69    70    71    72    73    74    75    76  
   59    62    60    69    73  
   62    60    69    73  
   61    63    64    65    66    67    68    69    70    71    72    73    74    75    76    62  
   63    64    65    66    69    73    62  
   63    64    65    66    69    70    71    72    73    74    75    76  
   64    65    66    67    68    69    73  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.107500   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   3.5000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.061200   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   317.000  1.510
   51    52   317.000  1.510
   51    54   549.000  1.340
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    60   268.000  1.529
   62    69   260.000  1.519
   62    73   260.000  1.519
   60    61   340.000  1.090
   60    63   260.000  1.519
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    66    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    65.00000  117.92700
   42    51    54    70.00000  124.00000
   44    42    43    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    44    35.00000  109.50000
   51    52    53    35.00000  109.50000
   51    52    57    70.00000  112.02700
   51    52    60    70.00000  112.02700
   51    54    55    35.00000  120.00000
   51    54    56    35.00000  120.00000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    62    63.00000   92.00000
   52    60    62    63.00000   92.00000
   52    60    61    37.50000  110.70000
   52    60    63    65.00000  119.52000
   57    52    53    37.50000  110.70000
   57    62    60    63.00000   92.00000
   57    62    69    65.00000  119.52000
   57    62    73    65.00000  119.52000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    60    63    65.00000  119.52000
   62    69    70    45.00000  111.22300
   62    69    71    45.00000  111.22300
   62    69    72    45.00000  111.22300
   62    73    74    45.00000  111.22300
   62    73    75    45.00000  111.22300
   62    73    76    45.00000  111.22300
   60    52    53    37.50000  110.70000
   60    52    57    63.00000   92.00000
   60    63    64    45.00000  111.22300
   60    63    65    45.00000  111.22300
   60    63    66    70.00000  112.98000
   63    60    61    45.00000  112.72800
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    41    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    41    45    58.35000  112.70000
   66    41    49    50.00000  109.50000
   68    66    67    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    67    37.50000  110.70000
   41    66    68    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   69    62    60    65.00000  119.52000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    62    60    65.00000  119.52000
   73    62    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51   0.34400  1.0 1.0
   33    38    42    51   0.09450 -1.0 2.0
   33    38    42    51   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    66   0.56750  1.0 1.0
   38    33    41    66  -0.07550 -1.0 2.0
   38    33    41    66   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.46850  1.0 1.0
   38    42    51    52   0.08550 -1.0 2.0
   38    42    51    52   0.09800  1.0 3.0
   38    42    51    54   0.09850  1.0 1.0
   38    42    51    54   0.15250 -1.0 2.0
   38    42    51    54  -0.50650  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51   0.15000  1.0 3.0
   42    51    52    53   0.34800  1.0 3.0
   42    51    52    57   0.46850  1.0 1.0
   42    51    52    57   0.08550 -1.0 2.0
   42    51    52    57   0.09800  1.0 3.0
   42    51    52    60   0.46850  1.0 1.0
   42    51    52    60   0.08550 -1.0 2.0
   42    51    52    60   0.09800  1.0 3.0
   42    51    54    55   7.00000 -1.0 2.0
   42    51    54    56   7.00000 -1.0 2.0
   43    42    51    52   0.34800  1.0 3.0
   43    42    51    54   0.00000  1.0 1.0
   44    42    51    52   0.34800  1.0 3.0
   44    42    51    54   0.00000  1.0 1.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    59   0.15000  1.0 3.0
   51    52    57    62   0.34400  1.0 1.0
   51    52    57    62   0.09450 -1.0 2.0
   51    52    57    62   0.11100  1.0 3.0
   51    52   -60    62   0.34400  1.0 1.0
   51    52   -60    62   0.09450 -1.0 2.0
   51    52   -60    62   0.11100  1.0 3.0
   51    52    60    61   0.15000  1.0 3.0
   51    52    60    63   0.34400  1.0 1.0
   51    52    60    63   0.09450 -1.0 2.0
   51    52    60    63   0.11100  1.0 3.0
   52    51    54    55   7.00000 -1.0 2.0
   52    51    54    56   7.00000 -1.0 2.0
   52    57   -62    60   0.00000  1.0 1.0
   52    57    62    69  -0.70950  1.0 1.0
   52    57    62    69   0.38400 -1.0 2.0
   52    57    62    73  -0.70950  1.0 1.0
   52    57    62    73   0.38400 -1.0 2.0
   52    60    63    64   0.00000  1.0 1.0
   52    60    63    65   0.00000  1.0 1.0
   52    60    63    66   0.04050  1.0 1.0
   52    60    63    66   0.63700 -1.0 2.0
   52    60    63    66   0.17650  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   53    52   -60    62   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   57    52   -60    62   0.00000  1.0 1.0
   57    52    60    61   0.15000  1.0 3.0
   57    52    60    63  -0.70950  1.0 1.0
   57    52    60    63   0.38400 -1.0 2.0
   57    62   -60    52   0.00000  1.0 1.0
   57    62   -60    61   0.15000  1.0 3.0
   57    62   -60    63  -0.70950  1.0 1.0
   57    62   -60    63   0.38400 -1.0 2.0
   57    62    69    70   0.00000  1.0 1.0
   57    62    69    71   0.00000  1.0 1.0
   57    62    69    72   0.00000  1.0 1.0
   57    62    73    74   0.00000  1.0 1.0
   57    62    73    75   0.00000  1.0 1.0
   57    62    73    76   0.00000  1.0 1.0
   58    57    62    60   0.15000  1.0 3.0
   58    57    62    69   0.15000  1.0 3.0
   58    57    62    73   0.15000  1.0 3.0
   59    57    62    60   0.15000  1.0 3.0
   59    57    62    69   0.15000  1.0 3.0
   59    57    62    73   0.15000  1.0 3.0
   62    60    63    64   0.00000  1.0 1.0
   62    60    63    65   0.00000  1.0 1.0
   62    60    63    66   0.04050  1.0 1.0
   62    60    63    66   0.63700 -1.0 2.0
   62    60    63    66   0.17650  1.0 3.0
   60    52   -57    58   0.15000  1.0 3.0
   60    52   -57    59   0.15000  1.0 3.0
   60    52   -57    62   0.00000  1.0 1.0
   60    62    69    70   0.00000  1.0 1.0
   60    62    69    71   0.00000  1.0 1.0
   60    62    69    72   0.00000  1.0 1.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   60    62    73    76   0.00000  1.0 1.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    41   0.31550 -1.0 2.0
   60    63    66    41   0.11250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   63    66    41    33   0.56750  1.0 1.0
   63    66    41    33  -0.07550 -1.0 2.0
   63    66    41    33   0.20000  1.0 3.0
   63    66    41    45   0.56750  1.0 1.0
   63    66    41    45  -0.07550 -1.0 2.0
   63    66    41    45   0.20000  1.0 3.0
   63    66    41    49   0.86500  1.0 1.0
   63    66    41    49  -0.17500 -1.0 2.0
   63    66    41    49   0.20800  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    41   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    41   0.15000  1.0 3.0
   66    41    45    46   0.15000  1.0 3.0
   66    41    45    47   0.15000  1.0 3.0
   66    41    45    48   0.15000  1.0 3.0
   66    41    49    50  -0.11600  1.0 1.0
   66    41    49    50  -0.09450 -1.0 2.0
   66    41    49    50   0.21250  1.0 3.0
   67    66    41    33   0.15000  1.0 3.0
   67    66    41    45   0.15000  1.0 3.0
   67    66    41    49   0.23400  1.0 3.0
   68    66    41    33   0.15000  1.0 3.0
   68    66    41    45   0.15000  1.0 3.0
   68    66    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   69    62   -60    52  -0.70950  1.0 1.0
   69    62   -60    52   0.38400 -1.0 2.0
   69    62    60    61   0.15000  1.0 3.0
   69    62    60    63   0.56750  1.0 1.0
   69    62    60    63  -0.07550 -1.0 2.0
   69    62    60    63   0.20000  1.0 3.0
   69    62    73    74   0.15000  1.0 3.0
   69    62    73    75   0.15000  1.0 3.0
   69    62    73    76   0.15000  1.0 3.0
   73    62   -60    52  -0.70950  1.0 1.0
   73    62   -60    52   0.38400 -1.0 2.0
   73    62    60    61   0.15000  1.0 3.0
   73    62    60    63   0.56750  1.0 1.0
   73    62    60    63  -0.07550 -1.0 2.0
   73    62    60    63   0.20000  1.0 3.0
   73    62    69    70   0.15000  1.0 3.0
   73    62    69    71   0.15000  1.0 3.0
   73    62    69    72   0.15000  1.0 3.0
   54    51    52    53   0.00000  1.0 1.0
   54    51    52    57   0.09850  1.0 1.0
   54    51    52    57   0.15250 -1.0 2.0
   54    51    52    57  -0.50650  1.0 3.0
   54    51    52    60   0.09850  1.0 1.0
   54    51    52    60   0.15250 -1.0 2.0
   54    51    52    60  -0.50650  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
   42    52    51    54   1.10000 -1.0 2.0
   55    56    54    51   1.10000 -1.0 2.0
END
