* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    133    209     379
    1     0 S   NP   _N1_     1    28.44671    98.84707   -22.03460
    2     1 S   H    _HN1     2     1.02958    61.07474    -2.79239
    3     1 S   H    _H1_     3     1.02836    49.42383   153.32726
    4     1 S   H    _H2_     4     1.02777   104.98166  -105.74709
    5     1 S   CT   _CA1     5     1.50128   142.29581    83.53962
    6     5 S   HC   _HA1     6     1.09575   105.21848   108.81824
    7     5 S   CO3  _C1_     7     1.53785   112.35540   -11.37922
    8     7 S   O2Z  _O11     8     1.26365   114.99902   -44.13239
    9     7 S   O2Z  _O12     9     1.26235   114.93020   134.96988
   10     5 S   CT   _CB1    10     1.53096   107.42202  -133.27601
   11    10 S   HC   HB11    11     1.09827   109.33336   -50.52933
   12    10 S   HC   HB12    12     1.09816   110.42583    66.02443
   13    10 S   CT   _CG1    13     1.53020   112.67327  -171.59992
   14    13 S   HC   HG11    14     1.09595   110.48816   -64.29253
   15    13 S   HC   HG12    15     1.09656   109.92094    54.90768
   16    13 S   C    _CD1    16     1.51844   112.31211   175.27735
   17    16 S   O    _OE1    17     1.22754   123.26307     0.23985
   18    16 S   N    _N2_    18     1.38532   111.70238  -179.77272
   19    18 S   H    _HN2    19     1.01564   119.07339     4.43716
   20    18 S   CT1  _CA2    20     1.45848   122.95995   177.97861
   21    20 S   HC   _HA2    21     1.09747   108.87462    23.56286
   22    20 S   C    _C2_    22     1.52912   107.17346   -93.27370
   23    22 S   O    _O2_    23     1.22973   123.09401   -26.88716
   24    20 S   CT   _CB2    32     1.53141   112.08516   146.66407
   25    24 S   HC   HB21    33     1.09568   110.29602    51.53948
   26    24 S   HC   HB22    34     1.09433   109.83768   170.77938
   27    22 S   N    _N3_    24     1.38541   112.49432   155.47427
   28    27 S   H    _HN3    25     1.01661   120.29053    -0.83134
   29    24 S   S    _SG2    35     1.82685   110.70208   -69.22730
   30    27 S   CT   _CA3    26     1.45327   122.52451   178.69779
   31    30 S   HC   HA31    27     1.09564   107.54970   -61.65701
   32    30 S   HC   HA32    28     1.09567   107.85270    54.65697
   33    29 S   CT   _C16    36     1.85152   100.07096   172.60153
   34    33 S   HC   _H5_    37     1.09602   104.62308   -58.75609
   35    30 S   CO3  _C3_    29     1.52905   114.37855   176.64299
   36    35 S   O2Z  _O31    30     1.26333   116.12906    -0.29409
   37    35 S   O2Z  _O32    31     1.26462   114.38325   179.78511
   38    33 S   CM   _C7_    38     1.53693   111.59155    60.48220
   39    33 S   CT   _C17    69     1.53826   107.45353  -172.35573
   40    39 S   HC   _H13    70     1.09911   110.10063    51.85663
   41    39 S   HC   _H14    71     1.09710   111.76547   -65.82814
   42    38 S   C5B  _C5_    39     1.43887   114.56046    66.50305
   43    38 S   CMA  _C8_    48     1.36867   122.78781  -112.66444
   44    43 S   OM   _O36    49     1.26270   128.80424    -0.92852
   45    39 S   CO3  _C18    72     1.53027   112.89361   169.66064
   46    45 S   O2Z  _O38    73     1.26262   115.54226   -57.31938
   47    45 S   O2Z  _O37    74     1.26387   114.86918   124.79611
   48    42 S   C5A  _C4_    40     1.37845   124.95779    97.07884
   49    48 S   HA   _H6_    41     1.08107   129.05721    -2.51871
   50    43 S   NE   _N6_    50     1.40021   119.85001   177.77534
   51    50 S   H    _H9_    51     1.01558   115.15198     1.73370
   52    48 S   SA   _S1_    42     1.71215   109.31200   177.10484
   53    50 S   C4T  _C9_    52     1.43662   130.46138   177.72067
   54    53 S   HC   _H3_    53     1.09575   113.11857    40.28338
   55    52 S   CRA  _C6_    43     1.72643    90.01053    -1.11276
   56    53 S   C4   _C11    54     1.56719   115.24605   -93.05747
   57    56 S   O    _O33    55     1.20881   136.97514    68.97729
   58    53 S   C4T  _C10    64     1.55669   114.56744   170.63032
   59    58 S   HC   _H4_    65     1.09733   112.92663  -138.39129
   60    42 S   N5B  _N4_    44     1.38075   119.09807   -87.73380
   61    55 S   NE   _N5_    45     1.34679   120.33654  -179.39607
   62    61 S   H    _H7_    46     1.01429   121.27358   179.24723
   63    61 S   H    _H8_    47     1.01357   122.04810    -0.02798
   64    56 S   N4   _N7_    56     1.34960    89.72111  -107.58496
   65    64 S   CM   _C12    57     1.35547   138.27444   171.86192
   66    65 S   CM   _C13    58     1.34631   120.81262  -164.75806
   67    66 S   HC   _H10    59     1.08846   119.15980  -179.34210
   68    65 S   CO3  _C15    66     1.53585   121.72439    12.98732
   69    68 S   O2Z  _O35    67     1.26498   115.57888  -121.53427
   70    68 S   O2Z  _O34    68     1.26512   114.91951    59.14758
   71    66 S   CT   _C14    60     1.50733   125.65821     3.45185
   72    71 S   HC   _H11    61     1.09460   109.08956   138.84005
   73    71 S   HC   _H12    62     1.09468   109.67772  -103.29577
   74    71 S   S    _S2_    63     1.82640   113.48826    19.50199
  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   9   5   4   3
  14   7   2   1   1  15   7   4   3   9   9   3   2   1   1   5
   3   9   4   5   9   6   4   8   3   9   4   3   2   1   1   8
   9   8   5   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    43    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    48    60    43    44    50    39    40    41    45    46    47  
   38    42    43    39    40    41    45  
   36    37  
   37  
    0  
   42    48    49    52    55    60    43    44    50    51    53    39    40    41    45  
   40    41    45    46    47    42    43  
   41    45    46    47  
   45    46    47  
   48    49    52    55    60    61    43    44    50  
   44    50    51    53    54    56    58    48    60  
   50    51    53  
   46    47  
   47  
    0  
   49    52    55    60    61  
   52    55    60  
   51    53    54    56    57    64    74    58    59  
   53    54    56    58  
   55    60    61    62    63  
   54    56    57    64    65    71    74    58    59  
   56    57    64    74    58    59  
   60    61    62    63  
   57    64    65    66    74    58    59    68  
   64    65    58  
   59    68    64    65    66    71    72    73    74  
   64    65    71    74  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    71    74    68    69    70  
   66    67    71    72    73    74    68    69    70  
   67    71    72    73    74    68    69    70  
   71    72    73    74    68  
   69    70    71  
   70  
    0  
   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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.998700   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   53   3.5000   0.0660   0.062500   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   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   61   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   65   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660   0.047500   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
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   317.000  1.510
   33    39   268.000  1.529
   38    42   320.000  1.460
   38    43   465.000  1.376
   42    48   520.000  1.370
   42    60   410.000  1.394
   48    49   367.000  1.080
   48    52   265.000  1.745
   52    55   250.000  1.765
   55    60   488.000  1.335
   55    61   420.000  1.385
   61    62   434.000  1.010
   61    63   434.000  1.010
   43    44   745.000  1.250
   43    50   415.000  1.382
   50    51   434.000  1.010
   50    53   382.000  1.448
   53    54   340.000  1.090
   53    56   250.000  1.540
   53    58   268.000  1.529
   56    57   930.000  1.212
   56    64   440.000  1.369
   64    65   400.000  1.384
   64    58   305.000  1.456
   65    66   549.000  1.340
   65    68   230.000  1.545
   66    67   340.000  1.080
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   222.000  1.810
   74    58   200.000  1.824
   58    59   340.000  1.090
   68    69   656.000  1.250
   68    70   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    65.00000  118.87000
   33    38    43    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    60.00000  120.93500
   38    42    60    70.00000  118.40000
   38    43    44    65.00000  137.10300
   38    43    50    75.00000  114.40000
   42    48    49    35.00000  130.70000
   42    48    52    80.00000  111.29200
   42    60    55    70.00000  110.00000
   48    52    55   120.00000   89.04400
   52    48    49    40.00000  122.38200
   52    55    60    80.00000  114.57700
   52    55    61    70.00000  122.29500
   55    61    62    35.00000  113.50000
   55    61    63    35.00000  113.50000
   60    42    48    70.00000  111.00000
   61    55    60    75.00000  125.31200
   63    61    62    35.00000  109.00000
   43    38    42    60.00000  123.20500
   43    50    51    50.00000  121.48000
   43    50    53    50.00000  121.00000
   50    43    44   105.00000  113.92000
   50    53    54    35.00000  109.50000
   50    53    56    70.00000  113.51500
   50    53    58    80.00000  111.61500
   53    50    51    35.00000  112.50000
   53    56    57    60.00000  136.58000
   53    56    64    95.00000   92.72400
   53    58    64   105.00000   87.49700
   53    58    74    65.00000  119.05700
   53    58    59    37.50000  110.70000
   56    53    54    40.00000  113.37500
   56    64    65    50.00000  132.10000
   56    64    58   100.00000   93.00000
   64    56    57    75.00000  131.60000
   64    65    66    75.00000  120.83300
   64    65    68    80.00000  114.48000
   64    58    74    80.00000  108.62000
   64    58    59    50.00000  112.01000
   65    66    67    35.00000  120.00000
   65    66    71    70.00000  124.00000
   65    68    69    85.00000  113.83300
   65    68    70    85.00000  113.83300
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    75.00000  112.20000
   71    66    67    35.00000  117.00000
   71    74    58    85.00000   99.86700
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    58    59    45.00000  109.41400
   58    53    54    37.50000  110.70000
   58    53    56   100.00000   86.36000
   58    64    65    50.00000  132.70000
   68    65    66    55.00000  124.75400
   70    68    69    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    45    46    70.00000  117.00000
   39    45    47    70.00000  117.00000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   47    45    46    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  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    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    42    48  -0.02500  1.0 1.0
   33    38    42    48  -0.32150 -1.0 2.0
   33    38    42    48  -0.01500  1.0 3.0
   33    38    42    60  -0.01750  1.0 1.0
   33    38    42    60  -0.32000 -1.0 2.0
   33    38    42    60   0.00600  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    50   7.00000 -1.0 2.0
   33    39    45    46   0.41150 -1.0 2.0
   33    39    45    47   0.41150 -1.0 2.0
   34    33    38    42   0.77000  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    45  -0.98800  1.0 1.0
   38    33    39    45   0.48800 -1.0 2.0
   38    33    39    45   0.76800  1.0 3.0
   38    42    48    49   3.62500 -1.0 2.0
   38    42    48    52   3.62500 -1.0 2.0
   38    42    60    55   3.62500 -1.0 2.0
   38    43    50    51   1.00000 -1.0 2.0
   38    43    50    53  -0.54700  1.0 1.0
   38    43    50    53   1.23000 -1.0 2.0
   42    38    43    44   7.00000 -1.0 2.0
   42    38    43    50   7.00000 -1.0 2.0
   42    48   -52    55   3.62500 -1.0 2.0
   48    42   -60    55   2.40000 -1.0 2.0
   48    52   -55    60   3.62500 -1.0 2.0
   48    52    55    61   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55   -60    42   3.62500 -1.0 2.0
   52    55    61    62   0.47600 -1.0 2.0
   52    55    61    63   0.47600 -1.0 2.0
   60    42    48    49   3.62500 -1.0 2.0
   60    42   -48    52   3.62500 -1.0 2.0
   60    55    61    62   1.75000 -1.0 2.0
   60    55    61    63   1.75000 -1.0 2.0
   61    55    60    42   3.62500 -1.0 2.0
   43    38    42    48   0.15800  1.0 1.0
   43    38    42    48   1.85350 -1.0 2.0
   43    38    42    48  -0.48700  1.0 3.0
   43    38    42    60   0.11450  1.0 1.0
   43    38    42    60   1.85100 -1.0 2.0
   43    38    42    60  -0.49050  1.0 3.0
   43    50    53    54   0.00000  1.0 1.0
   43    50    53    56  -0.12500  1.0 1.0
   43    50    53    56  -0.12500 -1.0 2.0
   43    50    53    56   0.25000  1.0 3.0
   43    50    53    58   0.25450  1.0 1.0
   43    50    53    58  -0.61700 -1.0 2.0
   43    50    53    58  -0.23550  1.0 3.0
   44    43    50    51   1.00000 -1.0 2.0
   44    43    50    53   1.00000 -1.0 2.0
   50    53    56    57   0.30150 -1.0 2.0
   50    53    56    64   0.00000  1.0 1.0
   50    53   -58    64   2.20050  1.0 1.0
   50    53   -58    64   0.63450 -1.0 2.0
   50    53   -58    64  -0.91300  1.0 3.0
   50    53    58    74   0.00000  1.0 1.0
   50    53    58    59   0.22950  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56  -0.12500  1.0 1.0
   51    50    53    56  -0.12500 -1.0 2.0
   51    50    53    56   0.25000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   53    56    64    65   3.00000 -1.0 2.0
   53    56   -64    58   3.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    64   0.00000  1.0 1.0
   54    53   -58    64   0.15000  1.0 3.0
   54    53    58    74   0.00000  1.0 1.0
   54    53    58    59   0.15000  1.0 3.0
   56    53   -58    64   3.00000 -1.0 2.0
   56    53    58    74   0.00000  1.0 1.0
   56    53    58    59   0.15000  1.0 3.0
   56    64    65    66   0.00000  1.0 1.0
   56    64    65    68   0.00000  1.0 1.0
   56    64   -58    53   0.00000  1.0 1.0
   56    64   -58    74   0.00000  1.0 1.0
   56    64   -58    59   0.00000  1.0 1.0
   57    56    64    65   3.00000 -1.0 2.0
   57    56    64    58   3.00000 -1.0 2.0
   64    65    66    67   7.00000 -1.0 2.0
   64    65    66    71   7.00000 -1.0 2.0
   64    65    68    69   1.91650 -1.0 2.0
   64    65    68    70   1.91650 -1.0 2.0
   65    64   -58    53   0.00000  1.0 1.0
   65    64    58    74   0.00000  1.0 1.0
   65    64    58    59   0.00000  1.0 1.0
   65    66    71    72   0.00000  1.0 1.0
   65    66    71    73   0.00000  1.0 1.0
   65    66   -71    74   0.42700  1.0 1.0
   65    66   -71    74  -0.70350 -1.0 2.0
   65    66   -71    74  -0.43150  1.0 3.0
   66    65    68    69  -0.04000 -1.0 2.0
   66    65    68    69  -0.29050  1.0 3.0
   66    65    68    70  -0.04000 -1.0 2.0
   66    65    68    70  -0.29050  1.0 3.0
   66    71    74    58  -0.70200  1.0 1.0
   66    71    74    58  -0.14350 -1.0 2.0
   66    71    74    58   0.55200  1.0 3.0
   67    66    71    72   0.33100  1.0 3.0
   67    66    71    73   0.33100  1.0 3.0
   67    66    71    74   0.00000  1.0 1.0
   71    74    58    53   0.25150  1.0 1.0
   71    74    58    53  -1.17200 -1.0 2.0
   71    74    58    53   0.53050  1.0 3.0
   71    74   -58    64   0.01700  1.0 1.0
   71    74   -58    64  -0.23550 -1.0 2.0
   71    74   -58    64   0.21350  1.0 3.0
   71    74    58    59   0.00000  1.0 1.0
   72    71    74    58   0.32350  1.0 3.0
   73    71    74    58   0.32350  1.0 3.0
   58    53   -56    57  -0.11250  1.0 1.0
   58    53   -56    57   0.11400 -1.0 2.0
   58    53   -56    57  -0.28950  1.0 3.0
   58    53   -56    64   3.00000 -1.0 2.0
   58    64   -65    66   0.00000  1.0 1.0
   58    64    65    68   0.00000  1.0 1.0
   68    65    66    67   7.00000 -1.0 2.0
   68    65    66    71   7.00000 -1.0 2.0
   39    33    38    42  -0.01700  1.0 1.0
   39    33    38    42   0.06550 -1.0 2.0
   39    33    38    42  -0.91500  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.00000  1.0 1.0
   41    39    45    46   0.00000  1.0 1.0
   41    39    45    47   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    43  15.00000 -1.0 2.0
   48    60    42    38   4.00000 -1.0 2.0
   52    49    48    42   1.10000 -1.0 2.0
   60    61    55    52   4.00000 -1.0 2.0
   63    55    61    62   1.00000 -1.0 2.0
   50    44    43    38  15.00000 -1.0 2.0
   51    43    50    53   1.00000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   58    56    64    65   1.00000 -1.0 2.0
   64    68    65    66   1.10000 -1.0 2.0
   71    67    66    65   1.10000 -1.0 2.0
   69    65    68    70  10.50000 -1.0 2.0
   46    39    45    47  10.50000 -1.0 2.0
END
