* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    134    209     386
    1     0 S   NP   _N1_     1    30.05501    91.88474   -20.30298
    2     1 S   H    _HN1     2     1.03535   121.35773    72.79176
    3     1 S   H    _H1_     3     1.02869    16.14670   105.31997
    4     1 S   H    _H2_     4     1.02730    94.92906   -40.41269
    5     1 S   CT   _CA1     5     1.50326   109.03027  -155.84919
    6     5 S   HC   _HA1     6     1.09678   104.56794    53.41042
    7     5 S   CO3  _C1_     7     1.54464   111.28321   -62.26766
    8     7 S   O2Z  _O11     8     1.26055   116.82805  -124.33104
    9     7 S   O2Z  _O12     9     1.26647   113.73731    55.31148
   10     5 S   CT   _CB1    10     1.53022   106.92084   169.70088
   11    10 S   HC   HB11    11     1.09856   110.15385   -39.97870
   12    10 S   HC   HB12    12     1.09772   110.12170    76.43037
   13    10 S   CT   _CG1    13     1.52900   112.48218  -160.51761
   14    13 S   HC   HG11    14     1.09472   111.91290   -55.77026
   15    13 S   HC   HG12    15     1.09610   110.56246    63.34943
   16    13 S   C    _CD1    16     1.51239   109.70403  -177.30805
   17    16 S   O    _OE1    17     1.22810   121.61544   -92.29056
   18    16 S   N    _N2_    18     1.38485   112.85910    86.14283
   19    18 S   H    _HN2    19     1.01616   119.00576     4.03012
   20    18 S   CT1  _CA2    20     1.46101   123.28510  -178.07603
   21    20 S   HC   _HA2    21     1.09727   109.03217     7.94725
   22    20 S   C    _C2_    22     1.53585   109.54635  -107.93223
   23    22 S   O    _O2_    23     1.23133   122.02657  -149.12237
   24    20 S   CT   _CB2    32     1.53695   111.88058   129.36135
   25    24 S   HC   HB21    33     1.09569   109.96591    61.21472
   26    24 S   HC   HB22    34     1.09322   109.18837   179.69739
   27    22 S   N    _N3_    24     1.38270   114.15935    38.34821
   28    27 S   H    _HN3    25     1.01574   119.76819    -3.20656
   29    24 S   S    _SG2    35     1.82828   111.64148   -58.97154
   30    27 S   CT   _CA3    26     1.45324   122.89764   176.92082
   31    30 S   HC   HA31    27     1.09557   107.51722   -63.85865
   32    30 S   HC   HA32    28     1.09568   107.90888    52.48335
   33    29 S   CT   _C14    36     1.85226   102.74361  -162.13925
   34    30 S   CO3  _C3_    29     1.52898   114.34146   174.55853
   35    34 S   O2Z  _O31    30     1.26330   116.12310     1.43613
   36    34 S   O2Z  _O32    31     1.26453   114.38078  -178.53060
   37    33 S   C4T  _C12    37     1.55063   110.39766  -166.93837
   38    37 S   HC   _H4_    38     1.10368   108.30862   174.00890
   39    33 S   CT   _C15    66     1.54051   110.33453   -47.82300
   40    39 S   HC   _H13    67     1.09497   112.10590    69.32544
   41    39 S   HC   _H14    68     1.09575   111.85866   -52.38081
   42    39 S   HC   _H15    69     1.09655   111.23597  -171.38311
   43    33 S   CT   _C16    70     1.54439   109.06381    74.17723
   44    43 S   HC   _H16    71     1.09401   111.80507   -57.29273
   45    43 S   HC   _H17    72     1.09467   111.74744    64.17455
   46    37 S   C4   _C13    39     1.55430   118.08053    49.52205
   47    46 S   O    _O35    40     1.21035   136.04536    47.77520
   48    37 S   C4T  _C10    47     1.58345   124.65944   -55.60051
   49    48 S   HC   _H3_    48     1.09996   111.26993  -128.10964
   50    43 S   OH   _O36    73     1.42608   110.63068  -176.12859
   51    50 S   HO   _H18    74     0.97265   107.06946   178.92626
   52    46 S   N4   _N5_    41     1.36127    91.14793  -127.09925
   53    52 S   CM   _C9_    42     1.36948   125.44217   122.64707
   54    53 S   CM   _C8_    43     1.34133   110.73659  -115.04553
   55    53 S   CO3  _C17    63     1.53638   121.56850    60.74568
   56    55 S   O2Z  _O38    64     1.26417   115.69744  -121.31588
   57    55 S   O2Z  _O37    65     1.26440   114.88926    57.98397
   58    54 S   CT   _C11    44     1.50671   110.83477    -0.30132
   59    58 S   HC   _H11    45     1.08989   112.95379   120.33557
   60    58 S   HC   _H12    46     1.09589   109.89494  -118.52285
   61    54 S   SZ   _S1_    49     1.76944   122.40440   176.61841
   62    61 S   OZ   _O34    50     1.50018   105.73423    72.27291
   63    61 S   CM   _C7_    51     1.78258   102.52914  -177.41866
   64    63 S   HC   _H10    52     1.08531   120.84218  -103.42441
   65    63 S   CM   _C6_    53     1.33932   118.59380    77.93493
   66    65 S   HC   _H9_    54     1.08628   122.05286    -0.91600
   67    65 S   N    _N4_    55     1.37266   122.00551  -179.90309
   68    67 S   H    _H8_    56     1.01653   117.59743    -2.30197
   69    67 S   C    _C5_    57     1.38707   123.54076   176.59458
   70    69 S   O    _O33    58     1.22807   126.08328    -1.99557
   71    69 S   CT   _C4_    59     1.50576   112.19148   179.51908
   72    71 S   HC   _H5_    60     1.09336   109.40085    75.10005
   73    71 S   HC   _H6_    61     1.09382   110.47484   -45.47260
   74    71 S   HC   _H7_    62     1.09353   109.62544  -165.06027
  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  19   8   9   3   2   1   6   3   2   8   3   9
   6   1   1   9  10  11   4   1   1   5   2   1   6   3   6   3
   6   3   7   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    48    39    40    41    42    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    52    58    48    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    52    53    54    58    59    60    48    49    39    40    41    42    43    44    45    50  
   46    47    52    58    48    49    39    43  
   40    41    42    43    44    45    50    46    48  
   41    42    43  
   42    43  
   43  
   44    45    50    51    46    48  
   45    50    51  
   50    51  
   47    52    53    54    58    48    49    55  
   52    53    48  
   49    61    55    52    53    54    58    59    60  
   52    53    54    58    59    60  
   51  
    0  
   53    54    58    59    60    61    55    56    57  
   54    58    59    60    61    62    63    55    56    57  
   58    59    60    61    62    63    64    65    55    56    57  
   56    57    58    61  
   57  
    0  
   59    60    61    62    63  
   60    61  
   61  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   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   0.226300   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  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.061200   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   3.5600   0.3950   0.445000   2.0080   1.7800   0.025682759  -1.666211680
   62   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    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   260.000  1.519
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   250.000  1.540
   37    48   268.000  1.529
   46    47   930.000  1.212
   46    52   440.000  1.369
   52    53   400.000  1.384
   52    48   305.000  1.456
   53    54   549.000  1.340
   53    55   230.000  1.545
   54    58   317.000  1.510
   54    61   205.000  1.810
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    48   260.000  1.519
   48    49   340.000  1.090
   61    62   700.000  1.530
   61    63   205.000  1.810
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   400.000  1.384
   67    68   434.000  1.010
   67    69   490.000  1.335
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   55    56   656.000  1.250
   55    57   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   553.000  0.945
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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    45.00000  112.72800
   33    37    46    63.00000  111.10000
   33    37    48    65.00000  119.52000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    60.00000  136.58000
   37    46    52    95.00000   92.72400
   37    48    52   105.00000   87.49700
   37    48    58    65.00000  119.52000
   37    48    49    37.50000  110.70000
   46    37    38    40.00000  113.37500
   46    52    53    50.00000  132.10000
   46    52    48   100.00000   93.00000
   52    46    47    75.00000  131.60000
   52    53    54    75.00000  120.83300
   52    53    55    80.00000  114.48000
   52    48    58    80.00000  110.05700
   52    48    49    50.00000  112.01000
   53    54    58    70.00000  124.00000
   53    54    61    65.00000  118.19300
   53    55    56    85.00000  113.83300
   53    55    57    85.00000  113.83300
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    48    70.00000  112.02700
   54    61    62   100.00000  107.42000
   54    61    63    80.00000   95.00000
   58    48    49    45.00000  112.72800
   60    58    59    33.00000  107.80000
   48    37    38    37.50000  110.70000
   48    37    46   100.00000   86.36000
   48    52    53    50.00000  132.70000
   48    58    59    45.00000  111.22300
   48    58    60    45.00000  111.22300
   61    54    58    70.00000  116.66000
   61    63    64    40.00000  114.00000
   61    63    65    65.00000  118.19300
   63    61    62   100.00000  107.42000
   63    65    66    35.00000  120.00000
   63    65    67    75.00000  120.83300
   65    63    64    35.00000  120.00000
   65    67    68    45.00000  117.55000
   65    67    69    70.00000  120.89900
   67    65    66    45.00000  111.09300
   67    69    70    80.00000  122.90000
   67    69    71    70.00000  116.60000
   69    67    68    35.00000  119.80000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   71    69    70    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   55    53    54    55.00000  124.75400
   57    55    56    80.00000  126.00000
   39    33    37    70.00000  112.98000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.98000
   43    33    39    58.35000  112.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    52   1.39750  1.0 1.0
   33    37    46    52  -0.07950 -1.0 2.0
   33    37    46    52  -0.18750  1.0 3.0
   33    37   -48    52   0.43900  1.0 1.0
   33    37   -48    52   0.49100 -1.0 2.0
   33    37   -48    52   0.28400  1.0 3.0
   33    37    48    58   0.56750  1.0 1.0
   33    37    48    58  -0.07550 -1.0 2.0
   33    37    48    58   0.20000  1.0 3.0
   33    37    48    49   0.15000  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.86500  1.0 1.0
   37    33    43    50  -0.17500 -1.0 2.0
   37    33    43    50   0.20800  1.0 3.0
   37    46    52    53   3.00000 -1.0 2.0
   37    46   -52    48   3.00000 -1.0 2.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    52   0.00000  1.0 1.0
   38    37   -48    52   0.15000  1.0 3.0
   38    37    48    58   0.15000  1.0 3.0
   38    37    48    49   0.15000  1.0 3.0
   46    37   -48    52   3.00000 -1.0 2.0
   46    37    48    58  -0.95700  1.0 1.0
   46    37    48    58  -0.18200 -1.0 2.0
   46    37    48    58   0.29450  1.0 3.0
   46    37    48    49   0.15000  1.0 3.0
   46    52    53    54   0.00000  1.0 1.0
   46    52    53    55   0.00000  1.0 1.0
   46    52   -48    37   0.00000  1.0 1.0
   46    52   -48    58   0.00000  1.0 1.0
   46    52   -48    49   0.00000  1.0 1.0
   47    46    52    53   3.00000 -1.0 2.0
   47    46    52    48   3.00000 -1.0 2.0
   52    53   -54    58   7.00000 -1.0 2.0
   52    53    54    61   7.00000 -1.0 2.0
   52    53    55    56   1.91650 -1.0 2.0
   52    53    55    57   1.91650 -1.0 2.0
   53    52   -48    37   0.00000  1.0 1.0
   53    52   -48    58   0.00000  1.0 1.0
   53    52    48    49   0.00000  1.0 1.0
   53    54    58    59   0.00000  1.0 1.0
   53    54    58    60   0.00000  1.0 1.0
   53    54   -58    48   0.09850  1.0 1.0
   53    54   -58    48   0.15250 -1.0 2.0
   53    54   -58    48  -0.50650  1.0 3.0
   53    54    61    62   1.00000 -1.0 2.0
   53    54    61    63   1.00000 -1.0 2.0
   54    53    55    56  -0.04000 -1.0 2.0
   54    53    55    56  -0.29050  1.0 3.0
   54    53    55    57  -0.04000 -1.0 2.0
   54    53    55    57  -0.29050  1.0 3.0
   54    58    48    37   0.34400  1.0 1.0
   54    58    48    37   0.09450 -1.0 2.0
   54    58    48    37   0.11100  1.0 3.0
   54    58   -48    52   0.21700  1.0 1.0
   54    58   -48    52   0.68550 -1.0 2.0
   54    58   -48    52  -0.27950  1.0 3.0
   54    58    48    49   0.15000  1.0 3.0
   54    61    63    64   1.00000 -1.0 2.0
   54    61    63    65   1.00000 -1.0 2.0
   58    54    61    62   1.00000 -1.0 2.0
   58    54    61    63   1.00000 -1.0 2.0
   59    58    48    37   0.00000  1.0 1.0
   59    58    48    52   0.15000  1.0 3.0
   59    58    48    49   0.15000  1.0 3.0
   60    58    48    37   0.00000  1.0 1.0
   60    58    48    52   0.15000  1.0 3.0
   60    58    48    49   0.15000  1.0 3.0
   48    37   -46    47  -0.11250  1.0 1.0
   48    37   -46    47   0.11400 -1.0 2.0
   48    37   -46    47  -0.28950  1.0 3.0
   48    37   -46    52   3.00000 -1.0 2.0
   48    52   -53    54   0.00000  1.0 1.0
   48    52    53    55   0.00000  1.0 1.0
   61    54    58    59   0.00000  1.0 1.0
   61    54    58    60   0.00000  1.0 1.0
   61    54    58    48   0.09700  1.0 1.0
   61    54    58    48   0.15600 -1.0 2.0
   61    54    58    48  -0.50800  1.0 3.0
   61    63    65    66   7.00000 -1.0 2.0
   61    63    65    67   7.00000 -1.0 2.0
   62    61    63    64   1.00000 -1.0 2.0
   62    61    63    65   1.00000 -1.0 2.0
   63    65    67    68   0.78350 -1.0 2.0
   63    65    67    69  -0.18900  1.0 1.0
   63    65    67    69   1.70900 -1.0 2.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   2.67200 -1.0 2.0
   65    67    69    71   0.67100  1.0 1.0
   65    67    69    71   1.42150 -1.0 2.0
   65    67    69    71   0.18700  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   1.44600  1.0 1.0
   67    69    71    72   0.00000  1.0 1.0
   67    69    71    73   0.00000  1.0 1.0
   67    69    71    74   0.00000  1.0 1.0
   68    67    69    70   2.45000 -1.0 2.0
   68    67    69    71   2.45000 -1.0 2.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   55    53    54    58   7.00000 -1.0 2.0
   55    53    54    61   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    37    48   0.04050  1.0 1.0
   39    33    37    48   0.63700 -1.0 2.0
   39    33    37    48   0.17650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    37    48   0.04050  1.0 1.0
   43    33    37    48   0.63700 -1.0 2.0
   43    33    37    48   0.17650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   0.19450  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
   37    52    46    47  10.50000 -1.0 2.0
   48    46    52    53   1.00000 -1.0 2.0
   52    55    53    54   1.10000 -1.0 2.0
   58    61    54    53   1.10000 -1.0 2.0
   61    64    63    65  15.00000 -1.0 2.0
   67    66    65    63  15.00000 -1.0 2.0
   68    69    67    65   1.00000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   56    53    55    57  10.50000 -1.0 2.0
END
