* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    194     363
    1     0 S   NP   _N1_     1    28.83841    95.51186   -25.00535
    2     1 S   H    _HN1     2     1.02949    73.99543    14.83656
    3     1 S   H    _H1_     3     1.02827    33.37176  -172.85466
    4     1 S   H    _H2_     4     1.02784   115.13317   -88.31421
    5     1 S   CT   _CA1     5     1.50117   127.83365   118.49687
    6     5 S   HC   _HA1     6     1.09573   105.19307    92.43844
    7     5 S   CO3  _C1_     7     1.53784   112.45754   -27.78730
    8     7 S   O2Z  _O11     8     1.26372   115.00076   -42.48567
    9     7 S   O2Z  _O12     9     1.26239   114.94695   136.62458
   10     5 S   CT   _CB1    10     1.53076   107.41352  -149.58683
   11    10 S   HC   HB11    11     1.09833   109.35720   -49.76711
   12    10 S   HC   HB12    12     1.09812   110.45245    66.83584
   13    10 S   CT   _CG1    13     1.52988   112.61522  -170.74887
   14    13 S   HC   HG11    14     1.09583   110.63093   -65.85459
   15    13 S   HC   HG12    15     1.09670   109.78903    53.37893
   16    13 S   C    _CD1    16     1.51800   112.21737   173.81940
   17    16 S   O    _OE1    17     1.22733   123.29295     6.93992
   18    16 S   N    _N2_    18     1.38634   111.67072  -173.10562
   19    18 S   H    _HN2    19     1.01585   118.95624     1.43272
   20    18 S   CT1  _CA2    20     1.46192   123.44041   177.65123
   21    20 S   HC   _HA2    21     1.09732   109.36627     4.22707
   22    20 S   C    _C2_    22     1.53557   108.78248  -111.36559
   23    22 S   O    _O2_    23     1.23074   122.23228  -148.38339
   24    20 S   CT   _CB2    32     1.53251   111.42820   126.23944
   25    24 S   HC   HB21    33     1.09511   110.01423    56.65850
   26    24 S   HC   HB22    34     1.09535   110.35497   175.48334
   27    22 S   N    _N3_    24     1.38315   113.79030    39.10367
   28    27 S   H    _HN3    25     1.01575   119.61622    -3.31960
   29    24 S   S    _SG2    35     1.82748   111.55637   -65.08558
   30    27 S   CT   _CA3    26     1.45287   123.19373   177.11134
   31    30 S   HC   HA31    27     1.09550   107.51617   -64.40708
   32    30 S   HC   HA32    28     1.09557   107.97253    52.02196
   33    29 S   CT   _C6_    36     1.84817    99.08319   171.74714
   34    33 S   HC   _H3_    37     1.09452   106.69199    34.54457
   35    30 S   CO3  _C3_    29     1.52956   114.10416   174.02539
   36    35 S   O2Z  _O31    30     1.26375   116.08504    -0.36797
   37    35 S   O2Z  _O32    31     1.26433   114.40434   179.68163
   38    33 S   CT   _C7_    38     1.53799   108.32961   156.06153
   39    38 S   HC   _H4_    39     1.09766   112.65975   -18.53625
   40    38 S   CA   _C9_    40     1.52583   114.74089  -139.80307
   41    38 S   OS   _O33    60     1.44218   105.07783    96.12539
   42    40 S   CA   _C10    41     1.40956   121.04582  -114.46678
   43    42 S   HA   _H8_    42     1.08791   120.17358     0.66529
   44    41 S   CO4  _C8_    61     1.36531   111.34866    13.03410
   45    44 S   O    _O34    62     1.22183   124.27802  -176.56858
   46    42 S   CA   _C11    43     1.39639   120.97485  -179.71469
   47    33 S   CT   _C5_    63     1.53179   113.50954   -89.43022
   48    46 S   CA   _C15    44     1.38788   118.83810     0.56441
   49    47 S   CT   _C4_    64     1.52873   112.60605   151.31540
   50    49 S   HC   _H5_    65     1.09584   110.52018   -63.77727
   51    49 S   HC   _H6_    66     1.09666   110.68826   178.43702
   52    49 S   HC   _H7_    67     1.09191   113.09781    58.04039
   53    47 S   OH   _O38    68     1.41539   113.71464    28.69048
   54    53 S   HO   _H15    69     0.97326   108.13979  -173.85146
   55    48 S   CA   _C16    45     1.39318   121.86436     0.28531
   56    55 S   HA   _H11    46     1.08503   118.45611   179.31586
   57    48 S   OS   _O36    53     1.41044   120.65036   180.00000
   58    40 S   CA   _C17    47     1.41656   120.03927    67.21680
   59    57 S   CO4  _C14    54     1.39057   121.54163     0.03956
   60    59 S   O    _O35    55     1.22593   122.08440   179.93147
   61    58 S   OS   _O37    48     1.37320   115.84219     0.41825
   62    59 S   CM   _C13    56     1.47428   116.78687    -0.07662
   63    62 S   HC   _H10    57     1.08431   117.12303  -179.93744
   64    61 S   CT   _C18    49     1.42214   117.56495  -177.40444
   65    64 S   HC   _H12    50     1.09429   107.70072   178.20343
   66    64 S   HC   _H13    51     1.09495   111.18476    60.49047
   67    64 S   HC   _H14    52     1.09481   111.08558   -64.10884
   68    46 S   CM   _C12    58     1.45337   122.23159  -179.48187
   69    68 S   HC   _H9_    59     1.08447   119.10711    -0.00000
  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
  16   8   2   1   1  14   6  13   7  10   4   8   3  10   6  10
   5   3   2   1   1   1   7   3   6   5   5   3   4   3   2   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    58    41    44    45    47    49    50    51    52    53    54  
   38    39    40    41    44    47    49    53  
   36    37  
   37  
    0  
   39    40    42    43    46    55    58    61    41    44    45    47    49    53  
   40    42    58    41    44    47  
   42    43    46    48    55    56    58    61    64    68    41    44    47  
   44    45    47    49    53    42    58  
   43    46    48    55    58    61    57    62    68    69  
   46    48    58    68  
   45    47    49    50    51    52    53    54  
   47    49    53  
   48    55    56    58    57    59    62    63    68    69  
   49    50    51    52    53    54  
   55    56    58    61    57    59    60    62    68    69  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    58    61    64    57    59    68  
   58    61    57  
   59    60    62    63    68    58  
   61    64    65    66    67  
   60    62    63    68    69  
   62    63    68  
   64    65    66    67  
   63    68    69  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69  
    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   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    42   469.000  1.400
   40    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    68   320.000  1.460
   48    55   469.000  1.400
   48    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   450.000  1.364
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    62   320.000  1.462
   62    63   340.000  1.080
   62    68   549.000  1.340
   68    69   340.000  1.080
   41    44   214.000  1.327
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    49   268.000  1.529
   47    53   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    47    44    63.00000  111.10000
   33    47    49    58.35000  112.70000
   33    47    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    42    70.00000  120.00000
   38    40    58    70.00000  120.00000
   38    41    44    83.00000  116.90000
   40    38    39    35.00000  109.50000
   40    42    43    35.00000  120.00000
   40    42    46    63.00000  120.00000
   40    58    55    63.00000  120.00000
   40    58    61    70.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    68    60.00000  120.93500
   46    42    43    35.00000  120.00000
   46    48    55    63.00000  120.00000
   46    48    57    70.00000  120.00000
   46    68    62    60.00000  123.20500
   46    68    69    40.00000  117.26300
   48    55    56    35.00000  120.00000
   48    55    58    63.00000  120.00000
   48    57    59    85.00000  115.98000
   55    58    61    70.00000  120.00000
   58    40    42    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    64    75.00000  111.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    48    55    70.00000  120.00000
   57    59    60    83.00000  123.40000
   57    59    62    90.00000  111.29400
   59    62    63    40.00000  117.72500
   59    62    68    65.00000  118.96000
   62    59    60    80.00000  123.72100
   62    68    69    35.00000  120.00000
   68    46    48    60.00000  120.93500
   68    62    63    35.00000  120.00000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  111.85700
   41    44    45    83.00000  123.40000
   41    44    47    81.00000  111.40000
   44    47    49    63.00000  111.10000
   44    47    53    90.00000  109.61100
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    37.50000  110.70000
   47    53    54    55.00000  108.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    47    49    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    47    53   0.56750  1.0 1.0
   29    33    47    53  -0.07550 -1.0 2.0
   29    33    47    53   0.20000  1.0 3.0
   33    38    40    42   0.04150 -1.0 2.0
   33    38    40    58   0.04150 -1.0 2.0
   33    38   -41    44  -0.25900  1.0 1.0
   33    38   -41    44  -0.47000 -1.0 2.0
   33    38   -41    44   0.11750  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.15000  1.0 3.0
   33    47    53    54  -0.11600  1.0 1.0
   33    47    53    54  -0.09450 -1.0 2.0
   33    47    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   34    33    47    53   0.23400  1.0 3.0
   38    33   -47    44  -0.95700  1.0 1.0
   38    33   -47    44  -0.18200 -1.0 2.0
   38    33   -47    44   0.29450  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    33    47    53   0.86500  1.0 1.0
   38    33    47    53  -0.17500 -1.0 2.0
   38    33    47    53   0.20800  1.0 3.0
   38    40    42    43   3.62500 -1.0 2.0
   38    40    42    46   3.62500 -1.0 2.0
   38    40    58    55   3.62500 -1.0 2.0
   38    40    58    61   3.62500 -1.0 2.0
   38    41    44    45   3.00000 -1.0 2.0
   38    41   -44    47   1.63150  1.0 1.0
   38    41   -44    47   2.92000 -1.0 2.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    58   0.00000  1.0 1.0
   39    38    41    44   0.08050  1.0 3.0
   40    38    41    44  -0.43900 -1.0 2.0
   40    38    41    44   0.14100  1.0 3.0
   40    42    46    48   3.62500 -1.0 2.0
   40    42    46    68   3.62500 -1.0 2.0
   40    58    61    64   1.63200 -1.0 2.0
   42    40    58    55   3.62500 -1.0 2.0
   42    40    58    61   3.62500 -1.0 2.0
   42    46   -48    55   3.62500 -1.0 2.0
   42    46    48    57   3.62500 -1.0 2.0
   42    46    68    62   0.15800  1.0 1.0
   42    46    68    62   1.85350 -1.0 2.0
   42    46    68    62  -0.48700  1.0 3.0
   42    46    68    69   0.56550  1.0 3.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    68   3.62500 -1.0 2.0
   46    48    55    56   3.62500 -1.0 2.0
   46    48    55    58   3.62500 -1.0 2.0
   46    48    57    59   0.01300  1.0 1.0
   46    48    57    59   0.97950 -1.0 2.0
   46    48    57    59  -0.55700  1.0 3.0
   48    46    68    62   0.15800  1.0 1.0
   48    46    68    62   1.85350 -1.0 2.0
   48    46    68    62  -0.48700  1.0 3.0
   48    46    68    69   0.56550  1.0 3.0
   48    55   -58    40   3.62500 -1.0 2.0
   48    55    58    61   3.62500 -1.0 2.0
   48    57    59    60   3.00000 -1.0 2.0
   48    57   -59    62   2.00000 -1.0 2.0
   55    48    57    59   0.01300  1.0 1.0
   55    48    57    59   0.97950 -1.0 2.0
   55    48    57    59  -0.55700  1.0 3.0
   55    58    61    64   1.63200 -1.0 2.0
   56    55    58    40   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    40    42    43   3.62500 -1.0 2.0
   58    40   -42    46   3.62500 -1.0 2.0
   58    61    64    65   0.08050  1.0 3.0
   58    61    64    66   0.08050  1.0 3.0
   58    61    64    67   0.08050  1.0 3.0
   57    48    55    56   3.62500 -1.0 2.0
   57    48    55    58   3.62500 -1.0 2.0
   57    59    62    63   1.63100 -1.0 2.0
   57    59    62    68  -0.56150  1.0 1.0
   57    59    62    68   2.19150 -1.0 2.0
   59    62   -68    46   7.00000 -1.0 2.0
   59    62    68    69   7.00000 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    68   1.00000 -1.0 2.0
   63    62    68    46   7.00000 -1.0 2.0
   63    62    68    69   7.00000 -1.0 2.0
   68    46    48    55   3.62500 -1.0 2.0
   68    46   -48    57   3.62500 -1.0 2.0
   41    38    40    42   0.64500  1.0 1.0
   41    38    40    42   0.14800 -1.0 2.0
   41    38    40    42   0.20650  1.0 3.0
   41    38    40    58   0.64500  1.0 1.0
   41    38    40    58   0.14800 -1.0 2.0
   41    38    40    58   0.20650  1.0 3.0
   41    44   -47    33   0.36750  1.0 3.0
   41    44    47    49   0.36750  1.0 3.0
   41    44    47    53   0.30750  1.0 1.0
   41    44    47    53   1.13850 -1.0 2.0
   41    44    47    53   0.38850  1.0 3.0
   44    47    49    50  -0.11250  1.0 3.0
   44    47    49    51  -0.11250  1.0 3.0
   44    47    49    52  -0.11250  1.0 3.0
   44    47    53    54   0.91850  1.0 1.0
   44    47    53    54   0.57950  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    49   0.30150 -1.0 2.0
   45    44    47    53   0.30150 -1.0 2.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40  -0.03700  1.0 1.0
   47    33    38    40   0.37200 -1.0 2.0
   47    33    38    40  -0.47300  1.0 3.0
   47    33   -38    41   0.62750  1.0 1.0
   47    33   -38    41  -0.30950 -1.0 2.0
   47    33   -38    41   0.27300  1.0 3.0
   49    47    53    54  -0.11600  1.0 1.0
   49    47    53    54  -0.09450 -1.0 2.0
   49    47    53    54   0.21250  1.0 3.0
   53    47    49    50   0.23400  1.0 3.0
   53    47    49    51   0.23400  1.0 3.0
   53    47    49    52   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   42    58    40    38   4.00000 -1.0 2.0
   46    43    42    40   1.10000 -1.0 2.0
   48    68    46    42   4.00000 -1.0 2.0
   55    57    48    46   4.00000 -1.0 2.0
   58    56    55    48   1.10000 -1.0 2.0
   55    61    58    40   4.00000 -1.0 2.0
   57    62    59    60  10.50000 -1.0 2.0
   59    63    62    68   1.10000 -1.0 2.0
   46    69    68    62   1.10000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
