* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    225     420
    1     0 S   NP   _N1_     1    29.07127    94.52168   -25.29091
    2     1 S   H    _HN1     2     1.02795   117.11233  -106.29778
    3     1 S   H    _H1_     3     1.02947    85.88708     2.25221
    4     1 S   H    _H2_     4     1.02827    21.23886  -174.87899
    5     1 S   CT   _CA1     5     1.50126   119.10203   113.37799
    6     5 S   HC   _HA1     6     1.09574   105.16066    80.88012
    7     5 S   CO3  _C1_     7     1.53766   112.43620   -39.32837
    8     7 S   O2Z  _O11     8     1.26377   115.00595   -43.15776
    9     7 S   O2Z  _O12     9     1.26233   114.93967   135.82034
   10     5 S   CT   _CB1    10     1.53055   107.40004  -161.16334
   11    10 S   HC   HB11    11     1.09842   109.33088   -49.34244
   12    10 S   HC   HB12    12     1.09810   110.48248    67.24899
   13    10 S   CT   _CG1    13     1.53024   112.64091  -170.26754
   14    13 S   HC   HG11    14     1.09568   110.74201   -67.36670
   15    13 S   HC   HG12    15     1.09669   109.69450    51.88705
   16    13 S   C    _CD1    16     1.51815   111.94569   172.37661
   17    16 S   O    _OE1    17     1.22764   123.15944    12.91356
   18    16 S   N    _N2_    18     1.38640   111.86602  -167.12818
   19    18 S   H    _HN2    19     1.01579   119.04822     0.83743
   20    18 S   CT1  _CA2    20     1.46199   123.34726   176.54793
   21    20 S   HC   _HA2    21     1.09749   109.22025     7.73424
   22    20 S   C    _C2_    22     1.53672   109.10204  -107.73973
   23    22 S   O    _O2_    23     1.23086   122.19733  -150.32090
   24    20 S   CT   _CB2    32     1.53256   111.66753   129.60054
   25    24 S   HC   HB21    33     1.09583   110.33347    56.51125
   26    24 S   HC   HB22    34     1.09431   110.01665   175.53130
   27    22 S   N    _N3_    24     1.38299   113.92244    37.25858
   28    27 S   H    _HN3    25     1.01538   119.61138    -3.43005
   29    24 S   S    _SG2    35     1.82635   111.51858   -64.28055
   30    27 S   CT   _CA3    26     1.45279   123.29774   177.11249
   31    30 S   HC   HA31    27     1.09547   107.52843   -64.38041
   32    30 S   HC   HA32    28     1.09554   107.98194    52.07967
   33    29 S   CT   _C14    36     1.86536    99.48814  -173.44893
   34    33 S   HC   _H3_    37     1.10109   104.16538    -8.85898
   35    30 S   CO3  _C3_    29     1.52979   114.02754   174.06429
   36    35 S   O2Z  _O31    30     1.26386   116.07317    -0.47271
   37    35 S   O2Z  _O32    31     1.26423   114.41982   179.58363
   38    33 S   CT   _C13    38     1.56743   114.08814   105.49224
   39    38 S   HC   _H33    39     1.08514   109.38297   121.74993
   40    33 S   CT   _C15    64     1.59561   112.45204  -122.70766
   41    40 S   OM   _O16    65     1.33234   107.02341    65.65788
   42    38 S   CT   _C11    40     1.53767   120.73920    -6.99827
   43    42 S   HC   _H31    41     1.09167   114.02799    28.89262
   44    40 S   CT   _C17    66     1.55153   111.25972   179.35745
   45    44 S   HC   _H35    67     1.09876   111.72192   -52.85289
   46    44 S   HC   _H36    68     1.09914   111.86602  -172.92199
   47    44 S   HC   _H37    69     1.09341   112.74630    67.37032
   48    42 S   CM   _C4_    42     1.49084    99.99486   -90.58665
   49    42 S   CT   _C7_    49     1.54783   112.91574   152.01872
   50    49 S   HC   _H23    50     1.09835   109.05609   154.93704
   51    49 S   HC   _H24    51     1.09721   110.79431    38.25995
   52    48 S   CO4  _C5_    43     1.47321   109.02496   -24.50442
   53    52 S   O    _O17    44     1.21693   127.23584  -168.83914
   54    48 S   CM   _C6_    46     1.33534   128.36853   152.80756
   55    54 S   HC   _H21    47     1.08490   120.72061     1.40123
   56    54 S   HC   _H22    48     1.08501   121.69267  -178.35479
   57    49 S   CT   _C10    52     1.53816   113.36003   -86.26665
   58    57 S   HC   _H29    53     1.09713   108.60465  -170.45369
   59    57 S   HC   _H30    54     1.09761   109.18007   -55.46031
   60    38 S   OS   _O18    45     1.45798   107.27284  -125.69003
   61    57 S   C3T  _C16    55     1.50490   113.59350    68.45936
   62    61 S   C3T  _C12    56     1.52745   117.44802   -88.24219
   63    62 S   HC   _H32    57     1.08103   120.33934    -1.65588
   64    61 S   CT   _C18    71     1.50138   116.79217    72.60109
   65    64 S   HC   _H38    72     1.09496   112.22512   162.12487
   66    64 S   HC   _H39    73     1.09515   110.50735    42.76648
   67    64 S   HC   _H40    74     1.09383   110.83999   -76.95820
   68    62 S   CT   _C8_    58     1.49499   122.64541   155.56731
   69    68 S   HC   _H25    59     1.09810   107.25424   106.16438
   70    68 S   HC   _H26    60     1.09255   112.13118    -9.48483
   71    61 S   O3T  _O19    70     1.43346   114.68882  -153.51242
   72    68 S   CT   _C9_    61     1.53901   114.06972  -135.41951
   73    72 S   HC   _H27    62     1.10335   104.63777  -161.57856
   74    72 S   HC   _H28    63     1.09880   108.66074   -50.59885
  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  16   7  14   8  15   8   7   3   2   1  10
  12   5   4   5   2   3   1   1  11   5   4   1  11  12   6   5
   3   2   1   6   5   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    72    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    52    60    49    68    72    73    74    40    41    44    45    46    47  
   38    39    42    60    72    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    52    53    60    54    49    50    51    57    72    40    41    44  
   42    43    48    52    60    49    40  
   41    44    45    46    47    42    60    62    68    69    70    72    73    74  
   44    45    46    47    68    72    73    74  
   43    48    52    53    60    54    55    56    49    50    51    57    58    59    61  
   48    52    60    54    49    50    51    57  
   45    46    47    68    72    73    74  
   46    47    72  
   47    72  
   72  
   52    53    60    54    55    56    49    50    51    57  
   50    51    57    58    59    61    62    71    64    52    54    60  
   51    57    58    59    61  
   57    58    59    61  
   53    60    54    55    56  
   60    54  
   55    56    60  
   56  
    0  
   58    59    61    62    63    68    71    64    65    66    67  
   59    61    62    71    64  
   61    62    71    64  
    0  
   62    63    68    69    70    72    71    64    65    66    67  
   63    68    69    70    72    73    74    71    64    65    66    67  
   68    69    70    72    71    64  
   65    66    67    68    71  
   66    67    71  
   67    71  
   71  
   69    70    72    73    74    71  
   70    72    73    74    71  
   72    73    74    71  
   72  
   73    74  
   74  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   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
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    52   320.000  1.462
   48    54   549.000  1.340
   52    53   570.000  1.229
   52    60   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   275.000  1.510
   61    62   260.000  1.509
   61    71   335.000  1.432
   61    64   275.000  1.510
   62    63   340.000  1.088
   62    68   275.000  1.510
   62    71   335.000  1.432
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    72    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    52    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    52    65.00000  116.34900
   42    48    54    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    57    58.35000  112.70000
   48    42    43    35.00000  109.50000
   48    52    53    80.00000  123.72100
   48    52    60    90.00000  111.29400
   48    54    55    35.00000  120.00000
   48    54    56    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    52    53    83.00000  123.40000
   54    48    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    61    70.00000  112.37300
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   57    61    62    60.00000  120.94000
   57    61    71    80.00000  116.47100
   57    61    64    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    45.00000  109.38400
   61    57    59    45.00000  109.38400
   61    62    63    37.50000  117.20000
   61    62    68    60.00000  120.94000
   61    62    71    15.00000   60.43100
   61    71    62    15.00000   59.14900
   61    64    65    45.00000  109.38400
   61    64    66    45.00000  109.38400
   61    64    67    45.00000  109.38400
   62    68    69    45.00000  109.38400
   62    68    70    45.00000  109.38400
   62    68    72    70.00000  112.37300
   68    62    63    40.00000  115.04500
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    40    41    50.00000  109.50000
   72    40    44    58.35000  112.70000
   74    72    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   71    61    62    15.00000   60.43100
   71    62    63    50.00000  114.27700
   71    62    68    80.00000  116.47100
   64    61    62    60.00000  120.94000
   64    61    71    80.00000  116.47100
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  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    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    52  -0.25900  1.0 1.0
   33    38    60    52  -0.47000 -1.0 2.0
   33    38    60    52   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    72   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    72   0.56750  1.0 1.0
   38    33    40    72  -0.07550 -1.0 2.0
   38    33    40    72   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    52   0.09700  1.0 1.0
   38    42   -48    52   0.15600 -1.0 2.0
   38    42   -48    52  -0.50800  1.0 3.0
   38    42    48    54   0.09850  1.0 1.0
   38    42    48    54   0.15250 -1.0 2.0
   38    42    48    54  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    57   0.56750  1.0 1.0
   38    42    49    57  -0.07550 -1.0 2.0
   38    42    49    57   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    52   0.08050  1.0 3.0
   42    38   -60    52  -0.25900  1.0 1.0
   42    38   -60    52  -0.47000 -1.0 2.0
   42    38   -60    52   0.11750  1.0 3.0
   42    48    52    53  -0.64400  1.0 1.0
   42    48    52    53   0.26850 -1.0 2.0
   42    48   -52    60  -0.15000  1.0 1.0
   42    48   -52    60   0.89550 -1.0 2.0
   42    48   -52    60  -0.06900  1.0 3.0
   42    48    54    55   7.00000 -1.0 2.0
   42    48    54    56   7.00000 -1.0 2.0
   42    49    57    58   0.15000  1.0 3.0
   42    49    57    59   0.15000  1.0 3.0
   42    49    57    61   0.47050  1.0 1.0
   42    49    57    61   0.03900 -1.0 2.0
   42    49    57    61   0.20100  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    54   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    57   0.15000  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    51   0.15000  1.0 3.0
   48    42    49    57   0.34400  1.0 1.0
   48    42    49    57   0.09450 -1.0 2.0
   48    42    49    57   0.11100  1.0 3.0
   48    52   -60    38   2.00000 -1.0 2.0
   52    48    54    55   7.00000 -1.0 2.0
   52    48    54    56   7.00000 -1.0 2.0
   53    52    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   54    48    52    53   1.00000 -1.0 2.0
   54    48    52    60  -0.56150  1.0 1.0
   54    48    52    60   2.19150 -1.0 2.0
   49    42    48    52   0.09700  1.0 1.0
   49    42    48    52   0.15600 -1.0 2.0
   49    42    48    52  -0.50800  1.0 3.0
   49    42    48    54   0.09850  1.0 1.0
   49    42    48    54   0.15250 -1.0 2.0
   49    42    48    54  -0.50650  1.0 3.0
   49    57    61    62   0.07850  1.0 1.0
   49    57    61    62  -0.03950 -1.0 2.0
   49    57    61    62   0.67350  1.0 3.0
   49    57    61    71   0.02550  1.0 1.0
   49    57    61    71  -0.02600 -1.0 2.0
   49    57    61    71   1.20400  1.0 3.0
   49    57    61    64   0.56750  1.0 1.0
   49    57    61    64  -0.07550 -1.0 2.0
   49    57    61    64   0.20000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    61   0.15000  1.0 3.0
   51    49    57    58   0.15000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   51    49    57    61   0.15000  1.0 3.0
   57    61    62    63   0.15000  1.0 3.0
   57    61    62    68   0.56750  1.0 1.0
   57    61    62    68  -0.07550 -1.0 2.0
   57    61    62    68   0.20000  1.0 3.0
   57    61   -62    71   0.02550  1.0 1.0
   57    61   -62    71  -0.02600 -1.0 2.0
   57    61   -62    71   1.20400  1.0 3.0
   57    61   -71    62   0.06250  1.0 1.0
   57    61   -71    62  -0.01100 -1.0 2.0
   57    61   -71    62   0.28050  1.0 3.0
   57    61    64    65   0.15000  1.0 3.0
   57    61    64    66   0.15000  1.0 3.0
   57    61    64    67   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    71   0.23400  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    71   0.23400  1.0 3.0
   59    57    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    70   0.15000  1.0 3.0
   61    62    68    72   0.07850  1.0 1.0
   61    62    68    72  -0.03950 -1.0 2.0
   61    62    68    72   0.67350  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68    72    73   0.15000  1.0 3.0
   62    68    72    74   0.15000  1.0 3.0
   62    68    72    40   0.47050  1.0 1.0
   62    68    72    40   0.03900 -1.0 2.0
   62    68    72    40   0.20100  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    72   0.15000  1.0 3.0
   63    62   -71    61   0.36800  1.0 3.0
   68    62   -71    61   0.06250  1.0 1.0
   68    62   -71    61  -0.01100 -1.0 2.0
   68    62   -71    61   0.28050  1.0 3.0
   68    72    40    33   0.56750  1.0 1.0
   68    72    40    33  -0.07550 -1.0 2.0
   68    72    40    33   0.20000  1.0 3.0
   68    72    40    41   0.62750  1.0 1.0
   68    72    40    41  -0.30950 -1.0 2.0
   68    72    40    41   0.27300  1.0 3.0
   68    72    40    44   0.56750  1.0 1.0
   68    72    40    44  -0.07550 -1.0 2.0
   68    72    40    44   0.20000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    40   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    40   0.15000  1.0 3.0
   72    40    44    45   0.15000  1.0 3.0
   72    40    44    46   0.15000  1.0 3.0
   72    40    44    47   0.15000  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.23400  1.0 3.0
   73    72    40    44   0.15000  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    41   0.23400  1.0 3.0
   74    72    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   71    61   -62    63   0.23400  1.0 3.0
   71    61   -62    68   0.02550  1.0 1.0
   71    61   -62    68  -0.02600 -1.0 2.0
   71    61   -62    68   1.20400  1.0 3.0
   71    61    64    65   0.23400  1.0 3.0
   71    61    64    66   0.23400  1.0 3.0
   71    61    64    67   0.23400  1.0 3.0
   71    62    68    69   0.23400  1.0 3.0
   71    62    68    70   0.23400  1.0 3.0
   71    62    68    72   0.02550  1.0 1.0
   71    62    68    72  -0.02600 -1.0 2.0
   71    62    68    72   1.20400  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61   -62    71   0.02550  1.0 1.0
   64    61   -62    71  -0.02600 -1.0 2.0
   64    61   -62    71   1.20400  1.0 3.0
   64    61   -71    62   0.06250  1.0 1.0
   64    61   -71    62  -0.01100 -1.0 2.0
   64    61   -71    62   0.28050  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
   42    52    48    54   1.10000 -1.0 2.0
   48    60    52    53  10.50000 -1.0 2.0
   55    56    54    48   1.10000 -1.0 2.0
END
