* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.68694    94.50390   -24.54906
    2     1 S   H    _HN1     2     1.02828    26.50183   176.50632
    3     1 S   H    _H1_     3     1.02786   109.61365   -92.56682
    4     1 S   H    _H2_     4     1.02950    81.81500    14.09141
    5     1 S   CT   _CA1     5     1.50110   129.05732   123.77805
    6     5 S   HC   _HA1     6     1.09573   105.19666    81.55045
    7     5 S   CO3  _C1_     7     1.53790   112.47552   -38.69250
    8     7 S   O2Z  _O11     8     1.26372   115.00734   -42.33051
    9     7 S   O2Z  _O12     9     1.26241   114.94908   136.81973
   10     5 S   CT   _CB1    10     1.53079   107.42212  -160.45561
   11    10 S   HC   HB11    11     1.09833   109.38071   -49.65914
   12    10 S   HC   HB12    12     1.09813   110.44461    66.95425
   13    10 S   CT   _CG1    13     1.52986   112.59934  -170.63336
   14    13 S   HC   HG11    14     1.09582   110.63323   -65.57993
   15    13 S   HC   HG12    15     1.09670   109.78532    53.65090
   16    13 S   C    _CD1    16     1.51795   112.23295   174.11517
   17    16 S   O    _OE1    17     1.22728   123.29385     6.92368
   18    16 S   N    _N2_    18     1.38646   111.65816  -173.17091
   19    18 S   H    _HN2    19     1.01580   118.93358     1.81693
   20    18 S   CT1  _CA2    20     1.46215   123.41808   177.62191
   21    20 S   HC   _HA2    21     1.09737   109.40411     3.34392
   22    20 S   C    _C2_    22     1.53571   108.59274  -112.16626
   23    22 S   O    _O2_    23     1.23059   122.28375  -147.66934
   24    20 S   CT   _CB2    32     1.53453   111.48219   125.43193
   25    24 S   HC   HB21    33     1.09359   109.53812    56.76926
   26    24 S   HC   HB22    34     1.09434   109.64471   175.41832
   27    22 S   N    _N3_    24     1.38330   113.71465    39.76542
   28    27 S   H    _HN3    25     1.01580   119.59466    -3.23967
   29    24 S   S    _SG2    35     1.82968   111.09833   -65.38413
   30    27 S   CT   _CA3    26     1.45287   123.22207   177.16110
   31    30 S   HC   HA31    27     1.09548   107.50288   -64.79299
   32    30 S   HC   HA32    28     1.09556   107.99588    51.64992
   33    29 S   CT   _C5_    36     1.86661   102.64135   166.11946
   34    30 S   CO3  _C3_    29     1.52963   114.07302   173.65063
   35    34 S   O2Z  _O31    30     1.26377   116.06791    -0.74860
   36    34 S   O2Z  _O32    31     1.26427   114.41360   179.31443
   37    33 S   CT   _C6_    37     1.54904   107.88765   -73.55109
   38    37 S   HC   _H10    38     1.09622   110.78256    57.14386
   39    37 S   HC   _H11    39     1.09800   110.70650   -60.55042
   40    33 S   CT   _C4_    76     1.54752   104.42215   170.87958
   41    40 S   HC   _H7_    77     1.09570   112.59425   -57.02029
   42    40 S   HC   _H8_    78     1.09422   112.16692  -177.47695
   43    40 S   HC   _H9_    79     1.09743   111.35944    63.25627
   44    37 S   CT   _C7_    40     1.53313   113.01799   177.53320
   45    44 S   HC   _H12    41     1.09485   109.20909    67.27731
   46    44 S   HC   _H13    42     1.09638   108.16173  -177.27100
   47    44 S   CT   _C8_    43     1.54567   111.99149   -55.70235
   48    47 S   HC   _H3_    44     1.10074   105.07611   -60.19011
   49    47 S   CT   _C9_    45     1.54292   110.03590    54.80271
   50    49 S   HC   _H14    46     1.09495   110.68178    68.23164
   51    49 S   HC   _H15    47     1.09600   109.87850  -175.06116
   52    47 S   CT   _C11    51     1.58086   112.74930  -175.86502
   53    33 S   CT   _C10    48     1.54726   113.82836    47.32446
   54    53 S   Br   Br1_    49     1.96453   113.14958    62.31222
   55    53 S   HC   _H4_    50     1.09531   110.67639   -53.91735
   56    52 S   CT   _C12    52     1.55302   111.56485   178.71443
   57    56 S   HC   _H5_    53     1.09617   110.16078    74.82443
   58    52 S   CT   _C18    72     1.54115   110.18999   -58.42420
   59    58 S   HC   _H25    73     1.09148   112.39163  -168.11769
   60    58 S   HC   _H26    74     1.09479   111.47050    72.55410
   61    58 S   HC   _H27    75     1.09336   112.07129   -49.45299
   62    56 S   CT   _C13    54     1.52778   112.62567  -162.78770
   63    62 S   HC   _H16    55     1.09792   109.45641   173.94935
   64    62 S   HC   _H17    56     1.09544   110.58856   -69.17911
   65    56 S   OH   _O34    70     1.43172   109.90608   -42.78024
   66    65 S   HO   _H24    71     0.97256   107.65048   175.33167
   67    62 S   CT   _C14    57     1.52419   109.83786    53.85300
   68    67 S   Br   Br2_    58     1.95777   108.73061   178.58570
   69    67 S   HC   _H6_    59     1.09716   108.25886    66.27223
   70    67 S   CT   _C15    60     1.53990   112.52422   -55.03411
   71    52 S   OS   _O33    61     1.44338   103.81674    59.67181
   72    70 S   CT   _C16    62     1.53734   115.13086   -75.42885
   73    72 S   HC   _H18    63     1.09591   110.84838   162.50946
   74    72 S   HC   _H19    64     1.09187   112.44012    42.46997
   75    72 S   HC   _H20    65     1.09562   111.89741   -77.35720
   76    70 S   CT   _C17    66     1.54278   109.82349   163.45998
   77    76 S   HC   _H21    67     1.09687   110.66342  -175.19857
   78    76 S   HC   _H22    68     1.09421   112.57198    63.75907
   79    76 S   HC   _H23    69     1.09648   110.81332   -57.80005
  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  13   5   4   3
  17   2   1   1  16   7   6   8   3   2   1  12   5   4  18   8
   9   5   4  17   2   1   1  15   8   7   3   2   1  11   6   5
   3   1  12   5   4   9   8   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    53    54    55    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    49    50    51    53    54    55    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    53    54    55    52    40    41    42    43  
   39    44    45    46    47    53    40  
   44    45    46    47    53    40  
   41    42    43    44    49    53    54    55  
   42    43    53  
   43    53  
   53  
   45    46    47    48    49    50    51    53    52    56    71    58  
   46    47    48    49    52  
   47    48    49    52  
   48    49    50    51    53    54    55    52    56    57    62    70    71    65    58    59    60    61  
   49    50    51    53    52    56    71    58  
   50    51    53    54    55    52    56    71    58  
   51    53    54    55    52  
   53    54    55    52  
   56    57    62    63    64    67    70    71    72    76    65    66    58    59    60    61    53  
   54    55  
   55  
    0  
   57    62    63    64    67    68    69    70    71    65    66    58    59    60    61  
   62    63    64    67    71    65    66    58  
   59    60    61    62    65    70    71  
   60    61    71  
   61    71  
   71  
   63    64    67    68    69    70    71    72    76    65    66  
   64    67    68    69    70    65  
   67    68    69    70    65  
   66    67    71  
    0  
   68    69    70    71    72    73    74    75    76    77    78    79  
   69    70    71    72    76  
   70    71    72    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.278000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.163500   1.9750   1.7500   0.005000000  -0.741685710
   54   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   55   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.009500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.053000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   69   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    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   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   245.000  1.990
   53    55   340.000  1.090
   52    56   268.000  1.529
   52    71   320.000  1.410
   52    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   245.000  1.990
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    49    58.35000  112.70000
   33    53    54    70.00000  109.17700
   33    53    55    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    52    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    58.35000  112.70000
   47    52    71    50.00000  109.50000
   47    52    58    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    53    54    70.00000  109.17700
   49    53    55    37.50000  110.70000
   51    49    50    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   55    53    54    51.00000  107.60000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    56    65    50.00000  109.50000
   52    71    70    60.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    65    66    55.00000  108.50000
   62    56    57    37.50000  110.70000
   62    67    68    70.00000  109.17700
   62    67    69    37.50000  110.70000
   62    67    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   67    70    76    58.35000  112.70000
   69    67    68    51.00000  107.60000
   70    67    68    70.00000  109.17700
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   71    52    56    50.00000  109.50000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    71    50.00000  109.50000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    62    50.00000  109.50000
   58    52    56    58.35000  112.70000
   58    52    71    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.56750  1.0 1.0
   33    37    44    47  -0.07550 -1.0 2.0
   33    37    44    47   0.20000  1.0 3.0
   37    33    53    49   0.56750  1.0 1.0
   37    33    53    49  -0.07550 -1.0 2.0
   37    33    53    49   0.20000  1.0 3.0
   37    33    53    54   0.74700  1.0 1.0
   37    33    53    54  -0.19600 -1.0 2.0
   37    33    53    54   0.19200  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.15000  1.0 3.0
   37    44   -47    49   0.56750  1.0 1.0
   37    44   -47    49  -0.07550 -1.0 2.0
   37    44   -47    49   0.20000  1.0 3.0
   37    44    47    52   0.56750  1.0 1.0
   37    44    47    52  -0.07550 -1.0 2.0
   37    44    47    52   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47   0.15000  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    53   0.56750  1.0 1.0
   44    47    49    53  -0.07550 -1.0 2.0
   44    47    49    53   0.20000  1.0 3.0
   44    47    52    56   0.56750  1.0 1.0
   44    47    52    56  -0.07550 -1.0 2.0
   44    47    52    56   0.20000  1.0 3.0
   44    47    52    71   0.62750  1.0 1.0
   44    47    52    71  -0.30950 -1.0 2.0
   44    47    52    71   0.27300  1.0 3.0
   44    47    52    58   0.56750  1.0 1.0
   44    47    52    58  -0.07550 -1.0 2.0
   44    47    52    58   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    52   0.15000  1.0 3.0
   47    49   -53    33   0.56750  1.0 1.0
   47    49   -53    33  -0.07550 -1.0 2.0
   47    49   -53    33   0.20000  1.0 3.0
   47    49    53    54   0.74700  1.0 1.0
   47    49    53    54  -0.19600 -1.0 2.0
   47    49    53    54   0.19200  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52    56    62   0.56750  1.0 1.0
   47    52    56    62  -0.07550 -1.0 2.0
   47    52    56    62   0.20000  1.0 3.0
   47    52    56    65   0.86500  1.0 1.0
   47    52    56    65  -0.17500 -1.0 2.0
   47    52    56    65   0.20800  1.0 3.0
   47    52    71    70   0.06250  1.0 1.0
   47    52    71    70  -0.01100 -1.0 2.0
   47    52    71    70   0.28050  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    71   0.23400  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   49    47    52    56   0.56750  1.0 1.0
   49    47    52    56  -0.07550 -1.0 2.0
   49    47    52    56   0.20000  1.0 3.0
   49    47    52    71   0.62750  1.0 1.0
   49    47    52    71  -0.30950 -1.0 2.0
   49    47    52    71   0.27300  1.0 3.0
   49    47    52    58   0.56750  1.0 1.0
   49    47    52    58  -0.07550 -1.0 2.0
   49    47    52    58   0.20000  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.39750  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   51    49    53    33   0.15000  1.0 3.0
   51    49    53    54   0.39750  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    53   0.56750  1.0 1.0
   52    47    49    53  -0.07550 -1.0 2.0
   52    47    49    53   0.20000  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56    62    67   0.56750  1.0 1.0
   52    56    62    67  -0.07550 -1.0 2.0
   52    56    62    67   0.20000  1.0 3.0
   52    56    65    66  -0.11600  1.0 1.0
   52    56    65    66  -0.09450 -1.0 2.0
   52    56    65    66   0.21250  1.0 3.0
   56    52    71    70   0.06250  1.0 1.0
   56    52    71    70  -0.01100 -1.0 2.0
   56    52    71    70   0.28050  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    62    67    68   0.74700  1.0 1.0
   56    62    67    68  -0.19600 -1.0 2.0
   56    62    67    68   0.19200  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62   -67    70   0.56750  1.0 1.0
   56    62   -67    70  -0.07550 -1.0 2.0
   56    62   -67    70   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    65    66   0.19450  1.0 3.0
   62    56    65    66  -0.11600  1.0 1.0
   62    56    65    66  -0.09450 -1.0 2.0
   62    56    65    66   0.21250  1.0 3.0
   62    67    70    71   0.62750  1.0 1.0
   62    67    70    71  -0.30950 -1.0 2.0
   62    67    70    71   0.27300  1.0 3.0
   62    67    70    72   0.56750  1.0 1.0
   62    67    70    72  -0.07550 -1.0 2.0
   62    67    70    72   0.20000  1.0 3.0
   62    67    70    76   0.56750  1.0 1.0
   62    67    70    76  -0.07550 -1.0 2.0
   62    67    70    76   0.20000  1.0 3.0
   63    62    67    68   0.39750  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.39750  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   67    70   -71    52   0.06250  1.0 1.0
   67    70   -71    52  -0.01100 -1.0 2.0
   67    70   -71    52   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   67    70    76    77   0.15000  1.0 3.0
   67    70    76    78   0.15000  1.0 3.0
   67    70    76    79   0.15000  1.0 3.0
   68    67    70    71   0.56750  1.0 1.0
   68    67    70    71  -0.07550 -1.0 2.0
   68    67    70    71   0.20000  1.0 3.0
   68    67    70    72   0.74700  1.0 1.0
   68    67    70    72  -0.19600 -1.0 2.0
   68    67    70    72   0.19200  1.0 3.0
   68    67    70    76   0.74700  1.0 1.0
   68    67    70    76  -0.19600 -1.0 2.0
   68    67    70    76   0.19200  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    76   0.15000  1.0 3.0
   71    52    56    57   0.23400  1.0 3.0
   71    52   -56    62   0.62750  1.0 1.0
   71    52   -56    62  -0.30950 -1.0 2.0
   71    52   -56    62   0.27300  1.0 3.0
   71    52    56    65   3.69350  1.0 1.0
   71    52    56    65  -1.82950 -1.0 2.0
   71    52    58    59   0.23400  1.0 3.0
   71    52    58    60   0.23400  1.0 3.0
   71    52    58    61   0.23400  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   71    70    76    77   0.23400  1.0 3.0
   71    70    76    78   0.23400  1.0 3.0
   71    70    76    79   0.23400  1.0 3.0
   72    70    71    52   0.06250  1.0 1.0
   72    70    71    52  -0.01100 -1.0 2.0
   72    70    71    52   0.28050  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    71    52   0.06250  1.0 1.0
   76    70    71    52  -0.01100 -1.0 2.0
   76    70    71    52   0.28050  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   65    56    62    63   0.23400  1.0 3.0
   65    56    62    64   0.23400  1.0 3.0
   65    56    62    67   0.86500  1.0 1.0
   65    56    62    67  -0.17500 -1.0 2.0
   65    56    62    67   0.20800  1.0 3.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    62   0.56750  1.0 1.0
   58    52    56    62  -0.07550 -1.0 2.0
   58    52    56    62   0.20000  1.0 3.0
   58    52    56    65   0.86500  1.0 1.0
   58    52    56    65  -0.17500 -1.0 2.0
   58    52    56    65   0.20800  1.0 3.0
   58    52    71    70   0.06250  1.0 1.0
   58    52    71    70  -0.01100 -1.0 2.0
   58    52    71    70   0.28050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    49   0.56750  1.0 1.0
   40    33    53    49  -0.07550 -1.0 2.0
   40    33    53    49   0.20000  1.0 3.0
   40    33    53    54   0.74700  1.0 1.0
   40    33    53    54  -0.19600 -1.0 2.0
   40    33    53    54   0.19200  1.0 3.0
   40    33    53    55   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
