* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    226     420
    1     0 S   NP   _N1_     1    28.76265    94.78357   -20.69657
    2     1 S   H    _HN1     2     1.02962    92.67610    34.74906
    3     1 S   H    _H1_     3     1.02837    32.05589   153.31264
    4     1 S   H    _H2_     4     1.02778    86.23964   -73.45032
    5     1 S   CT   _CA1     5     1.50112   142.45706   164.06770
    6     5 S   HC   _HA1     6     1.09569   105.27246    53.09745
    7     5 S   CO3  _C1_     7     1.53825   112.33391   -67.21877
    8     7 S   O2Z  _O11     8     1.26361   115.01119   -44.32151
    9     7 S   O2Z  _O12     9     1.26236   114.92946   134.90117
   10     5 S   CT   _CB1    10     1.53088   107.43705   171.09084
   11    10 S   HC   HB11    11     1.09819   109.47437   -50.00543
   12    10 S   HC   HB12    12     1.09832   110.34682    66.57979
   13    10 S   CT   _CG1    13     1.53011   112.65004  -171.11891
   14    13 S   HC   HG11    14     1.09589   110.32363   -60.39383
   15    13 S   HC   HG12    15     1.09623   110.17109    58.83356
   16    13 S   C    _CD1    16     1.51788   112.15118   179.16491
   17    16 S   O    _OE1    17     1.22729   123.20017    -9.89565
   18    16 S   N    _N2_    18     1.38612   111.68368   170.29765
   19    18 S   H    _HN2    19     1.01590   119.02429     1.98771
   20    18 S   CT1  _CA2    20     1.46290   123.38285  -176.32885
   21    20 S   HC   _HA2    21     1.09729   109.34628   -16.02454
   22    20 S   C    _C2_    22     1.53349   108.37995  -131.90181
   23    22 S   O    _O2_    23     1.23005   122.26719  -145.67038
   24    20 S   CT   _CB2    32     1.53503   111.14716   105.98145
   25    24 S   HC   HB21    33     1.09587   109.51973    55.51130
   26    24 S   HC   HB22    34     1.09498   110.82048   174.29353
   27    22 S   N    _N3_    24     1.38515   113.30708    41.69013
   28    27 S   H    _HN3    25     1.01534   118.90766    -0.55178
   29    24 S   S    _SG2    35     1.82811   111.53835   -65.95159
   30    27 S   CT   _CA3    26     1.45449   123.42953   175.08957
   31    30 S   HC   HA31    27     1.09524   109.21282    24.78579
   32    30 S   HC   HA32    28     1.09495   107.12630   141.79019
   33    29 S   CT   _C15    36     1.83240    99.70971   150.96123
   34    33 S   HC   _H3_    37     1.09626   109.34951   -46.61397
   35    30 S   CO3  _C3_    29     1.52930   113.13924   -98.67230
   36    35 S   O2Z  _O31    30     1.26400   115.41869   -44.06110
   37    35 S   O2Z  _O32    31     1.26358   114.97283   136.87839
   38    33 S   CT   _C8_    38     1.52855   107.66281    73.80519
   39    38 S   HC   _H22    39     1.09532   113.62731    35.95627
   40    38 S   HC   _H23    40     1.09352   111.67085   -89.85825
   41    38 S   CO4  _C6_    41     1.49816   102.94946   151.79900
   42    41 S   O    _O17    42     1.22654   122.70242   169.69951
   43    41 S   CT   _C16    43     1.52534   112.96560    -9.95536
   44    43 S   CT   _C9_    44     1.54479   109.08252  -134.44732
   45    44 S   HC   _H24    45     1.09949   109.48328    21.11873
   46    44 S   HC   _H25    46     1.09921   108.92454   -92.69155
   47    33 S   CT   _C12    60     1.55385   114.22221  -169.58763
   48    47 S   HC   _H29    61     1.09983   106.86886   -41.73101
   49    43 S   CT   _C18    69     1.54175   104.76346   106.67031
   50    49 S   HC   _H36    70     1.09244   112.53041   175.71609
   51    49 S   HC   _H37    71     1.09713   110.99270    56.12359
   52    49 S   HC   _H38    72     1.09575   111.74905   -62.62470
   53    44 S   CT   _C11    47     1.53046   116.67200   142.57997
   54    53 S   HC   _H28    48     1.09859   109.23899   -76.20267
   55    53 S   CM   _C4_    49     1.49378   115.53411   163.75286
   56    55 S   CO4  _C5_    50     1.47682   108.38618  -147.32527
   57    56 S   O    _O16    51     1.21728   127.17026  -169.36468
   58    55 S   CM   _C7_    66     1.33603   130.10215    31.49516
   59    58 S   HC   _H20    67     1.08462   121.20503     0.98774
   60    58 S   HC   _H21    68     1.08536   121.64642  -179.30058
   61    56 S   OS   _O18    52     1.36235   106.86601     9.41505
   62    53 S   CT   _C14    53     1.51888   114.74688    47.81326
   63    62 S   HC   _H31    54     1.09547   112.93093    37.49298
   64    62 S   CT   _C10    55     1.52661   113.57360   -89.29611
   65    64 S   HC   _H26    56     1.09929   108.97772   -55.14373
   66    64 S   HC   _H27    57     1.09926   107.64221  -167.88283
   67    64 S   CT   _C13    58     1.54405   116.75823    69.53215
   68    67 S   HC   _H30    59     1.09515   107.55242    65.78829
   69    67 S   CT   _C17    62     1.53523   107.03348   177.98443
   70    69 S   HC   _H33    63     1.09439   111.63979    67.15431
   71    69 S   HC   _H34    64     1.09618   110.57892   -52.15177
   72    69 S   HC   _H35    65     1.09363   111.45176  -169.93594
  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
  15   8   2   1   1  10   5   4  13   4  17  18   7   6  16   5
   5   2   1   1  14   7   9   8   3   4   1   1   6   7   4   8
   4   3   5   4   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    67    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    64    67    68    47    48    69    49  
   38    39    40    41    43    67    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    67    47    48    49  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    53    67    47    48    49    50    51    52  
   43    44    47    49  
   44    45    46    53    54    55    62    64    67    68    47    48    69    49    50    51    52  
   45    46    53    54    55    56    61    62    63    64    67    47    48    58    49    50    51    52  
   46    53    54    55    62    47    49  
   53    54    55    62    47    49  
   48    69    70    71    72    49    50    51    52    53    62    64    65    66    67    68  
   69    49    64    67    68  
   50    51    52    53    67  
   51    52  
   52  
    0  
   54    55    56    57    61    62    63    64    65    66    67    58    59    60  
   55    56    61    62    63    64    58  
   56    57    61    62    63    64    58    59    60  
   57    61    62    63    64    58    59    60  
   61    62    58  
   59    60    61    62  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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
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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    62   268.000  1.529
   55    56   320.000  1.462
   55    58   549.000  1.340
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    47   268.000  1.529
   67    69   268.000  1.529
   47    48   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    43    58.35000  112.70000
   33    47    67    58.35000  112.70000
   33    47    48    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    49    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    53    58.35000  112.70000
   43    47    67    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    70.00000  112.02700
   44    53    62    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    55    56    65.00000  116.34900
   53    55    58    70.00000  124.00000
   53    62    61    50.00000  109.50000
   53    62    63    37.50000  110.70000
   53    62    64    58.35000  112.70000
   55    53    54    35.00000  109.50000
   55    56    57    80.00000  123.72100
   55    56    61    90.00000  111.29400
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   56    61    62    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    62    63    35.00000  109.50000
   61    62    64    50.00000  109.50000
   62    53    54    37.50000  110.70000
   62    53    55    70.00000  112.02700
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    58.35000  112.70000
   64    62    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    47    58.35000  112.70000
   64    67    69    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    47    48    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    43    44    58.35000  112.70000
   47    67    68    37.50000  110.70000
   69    67    68    37.50000  110.70000
   69    67    47    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   58    55    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    43   0.44750  1.0 1.0
   29    33    47    43  -0.17800 -1.0 2.0
   29    33    47    43   0.20200  1.0 3.0
   29    33    47    67   0.44750  1.0 1.0
   29    33    47    67  -0.17800 -1.0 2.0
   29    33    47    67   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  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    41  -0.11250  1.0 3.0
   34    33    47    43   0.15000  1.0 3.0
   34    33    47    67   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   38    33   -47    43   0.56750  1.0 1.0
   38    33   -47    43  -0.07550 -1.0 2.0
   38    33   -47    43   0.20000  1.0 3.0
   38    33    47    67   0.56750  1.0 1.0
   38    33    47    67  -0.07550 -1.0 2.0
   38    33    47    67   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    47   0.60050  1.0 1.0
   38    41   -43    47   0.05600 -1.0 2.0
   38    41   -43    47   0.26150  1.0 3.0
   38    41    43    49   0.60050  1.0 1.0
   38    41    43    49   0.05600 -1.0 2.0
   38    41    43    49   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    46  -0.11250  1.0 3.0
   41    43    44    53  -0.95700  1.0 1.0
   41    43    44    53  -0.18200 -1.0 2.0
   41    43    44    53   0.29450  1.0 3.0
   41    43   -47    33  -0.95700  1.0 1.0
   41    43   -47    33  -0.18200 -1.0 2.0
   41    43   -47    33   0.29450  1.0 3.0
   41    43    47    67  -0.95700  1.0 1.0
   41    43    47    67  -0.18200 -1.0 2.0
   41    43    47    67   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    49    50  -0.11250  1.0 3.0
   41    43    49    51  -0.11250  1.0 3.0
   41    43    49    52  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   42    41    43    49   0.30150 -1.0 2.0
   43    44    53    54   0.15000  1.0 3.0
   43    44    53    55   0.34400  1.0 1.0
   43    44    53    55   0.09450 -1.0 2.0
   43    44    53    55   0.11100  1.0 3.0
   43    44    53    62   0.56750  1.0 1.0
   43    44    53    62  -0.07550 -1.0 2.0
   43    44    53    62   0.20000  1.0 3.0
   44    43    47    33   0.56750  1.0 1.0
   44    43    47    33  -0.07550 -1.0 2.0
   44    43    47    33   0.20000  1.0 3.0
   44    43    47    67   0.56750  1.0 1.0
   44    43    47    67  -0.07550 -1.0 2.0
   44    43    47    67   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    53    55    56   0.09700  1.0 1.0
   44    53    55    56   0.15600 -1.0 2.0
   44    53    55    56  -0.50800  1.0 3.0
   44    53    55    58   0.09850  1.0 1.0
   44    53    55    58   0.15250 -1.0 2.0
   44    53    55    58  -0.50650  1.0 3.0
   44    53    62    61   0.62750  1.0 1.0
   44    53    62    61  -0.30950 -1.0 2.0
   44    53    62    61   0.27300  1.0 3.0
   44    53    62    63   0.15000  1.0 3.0
   44    53    62    64   0.56750  1.0 1.0
   44    53    62    64  -0.07550 -1.0 2.0
   44    53    62    64   0.20000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    62   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    55   0.15000  1.0 3.0
   46    44    53    62   0.15000  1.0 3.0
   53    55    56    57  -0.64400  1.0 1.0
   53    55    56    57   0.26850 -1.0 2.0
   53    55   -56    61  -0.15000  1.0 1.0
   53    55   -56    61   0.89550 -1.0 2.0
   53    55   -56    61  -0.06900  1.0 3.0
   53    55    58    59   7.00000 -1.0 2.0
   53    55    58    60   7.00000 -1.0 2.0
   53    62    64    65   0.15000  1.0 3.0
   53    62    64    66   0.15000  1.0 3.0
   53    62    64    67   0.56750  1.0 1.0
   53    62    64    67  -0.07550 -1.0 2.0
   53    62    64    67   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    62    61   0.23400  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   55    53   -62    61   0.61850  1.0 1.0
   55    53   -62    61  -0.22750 -1.0 2.0
   55    53   -62    61   0.15300  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.34400  1.0 1.0
   55    53    62    64   0.09450 -1.0 2.0
   55    53    62    64   0.11100  1.0 3.0
   55    56   -61    62   2.00000 -1.0 2.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    60   7.00000 -1.0 2.0
   56    61   -62    53  -0.25900  1.0 1.0
   56    61   -62    53  -0.47000 -1.0 2.0
   56    61   -62    53   0.11750  1.0 3.0
   56    61    62    63   0.08050  1.0 3.0
   56    61    62    64  -0.25900  1.0 1.0
   56    61    62    64  -0.47000 -1.0 2.0
   56    61    62    64   0.11750  1.0 3.0
   57    56    61    62   3.00000 -1.0 2.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.23400  1.0 3.0
   61    62    64    67   0.62750  1.0 1.0
   61    62    64    67  -0.30950 -1.0 2.0
   61    62    64    67   0.27300  1.0 3.0
   62    53   -55    56   0.09700  1.0 1.0
   62    53   -55    56   0.15600 -1.0 2.0
   62    53   -55    56  -0.50800  1.0 3.0
   62    53    55    58   0.09850  1.0 1.0
   62    53    55    58   0.15250 -1.0 2.0
   62    53    55    58  -0.50650  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    47   0.56750  1.0 1.0
   62    64    67    47  -0.07550 -1.0 2.0
   62    64    67    47   0.20000  1.0 3.0
   62    64    67    69   0.56750  1.0 1.0
   62    64    67    69  -0.07550 -1.0 2.0
   62    64    67    69   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   64    67    47    33   0.56750  1.0 1.0
   64    67    47    33  -0.07550 -1.0 2.0
   64    67    47    33   0.20000  1.0 3.0
   64    67    47    43   0.56750  1.0 1.0
   64    67    47    43  -0.07550 -1.0 2.0
   64    67    47    43   0.20000  1.0 3.0
   64    67    47    48   0.15000  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    47   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    47   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   68    67    47    33   0.15000  1.0 3.0
   68    67    47    43   0.15000  1.0 3.0
   68    67    47    48   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    53   0.56750  1.0 1.0
   47    43    44    53  -0.07550 -1.0 2.0
   47    43    44    53   0.20000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    52   0.15000  1.0 3.0
   47    67    69    70   0.15000  1.0 3.0
   47    67    69    71   0.15000  1.0 3.0
   47    67    69    72   0.15000  1.0 3.0
   69    67    47    33   0.56750  1.0 1.0
   69    67    47    33  -0.07550 -1.0 2.0
   69    67    47    33   0.20000  1.0 3.0
   69    67    47    43   0.56750  1.0 1.0
   69    67    47    43  -0.07550 -1.0 2.0
   69    67    47    43   0.20000  1.0 3.0
   69    67    47    48   0.15000  1.0 3.0
   58    55    56    57   1.00000 -1.0 2.0
   58    55    56    61  -0.56150  1.0 1.0
   58    55    56    61   2.19150 -1.0 2.0
   49    43    44    45   0.15000  1.0 3.0
   49    43    44    46   0.15000  1.0 3.0
   49    43    44    53   0.56750  1.0 1.0
   49    43    44    53  -0.07550 -1.0 2.0
   49    43    44    53   0.20000  1.0 3.0
   49    43    47    33   0.56750  1.0 1.0
   49    43    47    33  -0.07550 -1.0 2.0
   49    43    47    33   0.20000  1.0 3.0
   49    43    47    67   0.56750  1.0 1.0
   49    43    47    67  -0.07550 -1.0 2.0
   49    43    47    67   0.20000  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   53    56    55    58   1.10000 -1.0 2.0
   55    61    56    57  10.50000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
END
