* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    191     361
    1     0 S   NP   _N1_     1    29.13001    93.54090   -17.11584
    2     1 S   H    _HN1     2     1.03059   114.82868    58.88158
    3     1 S   H    _H1_     3     1.02820    29.79023   139.44446
    4     1 S   H    _H2_     4     1.02817    78.18921   -45.81048
    5     1 S   CT   _CA1     5     1.50280   126.72839  -154.89492
    6     5 S   HC   _HA1     6     1.09589   105.09627    29.72267
    7     5 S   CO3  _C1_     7     1.53882   112.60237   -89.84940
    8     7 S   O2Z  _O11     8     1.26373   115.20826   -37.20087
    9     7 S   O2Z  _O12     9     1.26256   114.91607   141.92041
   10     5 S   CT   _CB1    10     1.53059   107.22392   147.11272
   11    10 S   HC   HB11    11     1.09792   108.95846   -52.62640
   12    10 S   HC   HB12    12     1.09629   110.24980    63.57493
   13    10 S   CT   _CG1    13     1.53065   113.55139  -174.40196
   14    13 S   HC   HG11    14     1.09529   110.01044   -63.19022
   15    13 S   HC   HG12    15     1.09583   110.53810    55.97439
   16    13 S   C    _CD1    16     1.51947   111.32052   175.43438
   17    16 S   O    _OE1    17     1.22818   122.53912   -32.84559
   18    16 S   N    _N2_    18     1.38533   112.54195   148.44416
   19    18 S   H    _HN2    19     1.01565   119.29512     1.03609
   20    18 S   CT1  _CA2    20     1.46442   123.34026  -177.14494
   21    20 S   HC   _HA2    21     1.09737   109.24913   -15.92654
   22    20 S   C    _C2_    22     1.53392   108.39799  -131.63092
   23    22 S   O    _O2_    23     1.23009   122.34137  -146.51378
   24    20 S   CT   _CB2    32     1.53461   111.38801   106.03087
   25    24 S   HC   HB21    33     1.09519   109.88351    55.66907
   26    24 S   HC   HB22    34     1.09485   111.10367   174.45066
   27    22 S   N    _N3_    24     1.38554   113.32177    40.97983
   28    27 S   H    _HN3    25     1.01529   118.87876    -0.53155
   29    24 S   S    _SG2    35     1.81814   111.80515   -65.29592
   30    27 S   CT   _CA3    26     1.45430   123.35125   175.22476
   31    30 S   HC   HA31    27     1.09532   109.09893    26.89620
   32    30 S   HC   HA32    28     1.09493   107.15127   143.86442
   33    29 S   P2   _P1_    36     2.12231   106.36459   158.98360
   34    33 S   O2Z  _O36    37     1.51333   106.79453   -38.75459
   35    33 S   O2Z  _O35    38     1.51251   105.84084    91.06478
   36    30 S   CO3  _C3_    29     1.52927   113.23336   -96.49664
   37    36 S   O2Z  _O31    30     1.26395   115.45873   -43.74217
   38    36 S   O2Z  _O32    31     1.26365   114.95447   137.23288
   39    33 S   OS   _O34    39     1.63889   105.76404  -154.44631
   40    39 S   CT   _C13    40     1.42506   118.08966    71.11406
   41    40 S   HC   _H9_    41     1.09342   108.54233   -53.37490
   42    40 S   HC   _H10    42     1.09471   108.35829    64.87943
   43    40 S   CT   _C12    43     1.52856   109.68923  -175.02594
   44    43 S   HC   _H6_    44     1.09531   110.39479   -49.70248
   45    43 S   CT   _C11    45     1.52524   111.94688  -176.16483
   46    45 S   HC   _H5_    46     1.09375   114.83387    37.39741
   47    45 S   CT   _C10    47     1.51576   101.61859   -85.32806
   48    47 S   HC   _H4_    48     1.09509   110.01046    77.65741
   49    45 S   OH   _O37    68     1.42762   109.22117   158.75862
   50    49 S   HO   _H11    69     0.97264   107.45998   -66.34929
   51    47 S   CO   _C9_    49     1.52236   101.69168   -39.38286
   52    51 S   HC   _H3_    50     1.09662   112.67407   -85.47613
   53    47 S   OH   _O38    66     1.41362   113.30820  -161.01881
   54    53 S   HO   _H12    67     0.97447   106.91291   -66.07619
   55    51 S   N*   _N6_    51     1.45331   113.27068   152.71144
   56    43 S   OS   _O33    65     1.44969   108.99961    67.44484
   57    55 S   CRAB _C8_    52     1.36896   127.40403  -101.19448
   58    57 S   HA   _H8_    53     1.08108   122.81773    -1.80081
   59    57 S   NNA  _N7_    54     1.31625   112.12735   178.00531
   60    59 S   C56B _C6_    55     1.37346   105.05321     0.49099
   61    55 S   C56A _C7_    56     1.37043   125.52859    77.72714
   62    61 S   NB   _N5_    57     1.34196   127.94952     1.29119
   63    62 S   CQ   _C4_    58     1.34641   110.82115  -179.26060
   64    63 S   HA   _H7_    59     1.08491   115.82256  -179.36020
   65    63 S   NB   _N4_    60     1.35306   128.55997     1.06643
   66    60 S   CA   _C5_    61     1.40322   131.69632  -179.27261
   67    66 S   NND  _N8_    62     1.38083   122.17026     0.37115
   68    67 S   H    _H13    63     1.01126   120.32800    -0.17804
   69    67 S   H    _H14    64     1.01012   119.49647  -179.62780
  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   5   5   4   3
   7   3   2   2   1   1   7  10   5   4  12   6  11   7  11   7
   4   1  11   5   3   1   9   2   6   3   6   8   6   4   4   2
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    44    45    56  
   41    42    43    44    45    46    47    51    56    49  
   42    43    44    45    56  
   43    44    45    56  
   44    45    46    47    48    51    52    55    56    53    49    50  
   45    46    47    51    56    49  
   46    47    48    51    52    55    56    53    54    49    50  
   47    48    51    56    53    49    50  
   48    51    52    55    57    61    56    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53    56  
    0  
   52    55    57    58    59    60    61    62    56    53    54  
   55    57    61    56    53  
   54    55    56  
    0  
   57    58    59    60    61    62    63    66    56  
   57    61  
   58    59    60    61    62    66  
   59    60    61  
   60    61    62    65    66    67  
   61    62    63    65    66    67    68    69  
   62    63    64    65    66    67  
   63    64    65    66  
   64    65    66    67  
   65    66  
   66    67    68    69  
   67    68    69  
   68    69  
   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  -0.112500   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  -0.105000   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   3.7400   0.2000   1.447500   2.1070   1.8700   0.005000000   0.000000000
   34   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   35   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0500   0.100000   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   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   145.000  2.163
   33    34   525.000  1.480
   33    35   525.000  1.480
   33    39   230.000  1.697
   39    40   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    56   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   275.000  1.479
   51    56   320.000  1.380
   55    57   440.000  1.371
   55    61   436.000  1.374
   57    58   367.000  1.080
   57    59   529.000  1.304
   59    60   414.000  1.391
   60    61   447.000  1.419
   60    66   469.000  1.404
   61    62   461.000  1.354
   62    63   502.000  1.324
   63    64   367.000  1.080
   63    65   502.000  1.324
   65    66   483.000  1.339
   66    67   481.000  1.340
   67    68   434.000  1.010
   67    69   434.000  1.010
   53    54   553.000  0.945
   49    50   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    75.00000  100.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  114.00000
   29    33    35    80.00000  114.00000
   29    33    39    85.00000  111.00000
   33    39    40   100.00000  120.50000
   35    33    34   140.00000  119.90000
   39    33    34   100.00000  108.23000
   39    33    35   100.00000  108.23000
   39    40    41    35.00000  109.50000
   39    40    42    35.00000  109.50000
   39    40    43    50.00000  109.50000
   40    43    44    37.50000  110.70000
   40    43    45    58.35000  112.70000
   40    43    56    50.00000  109.50000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    45    49    50.00000  109.50000
   43    56    51    60.00000  109.50000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    51    75.00000  109.43000
   45    47    53    50.00000  109.50000
   45    49    50    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    75.00000  107.44000
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    55    57    70.00000  128.80000
   51    55    61    70.00000  125.80000
   55    51    52    55.00000  103.44000
   55    57    58    35.00000  123.05000
   55    57    59    70.00000  113.90000
   55    61    60    70.00000  106.20000
   55    61    62    70.00000  126.20000
   57    59    60    70.00000  103.80000
   59    57    58    35.00000  123.05000
   59    60    61    70.00000  110.40000
   59    60    66    70.00000  132.40000
   60    61    62    70.00000  127.70000
   60    66    65    70.00000  117.30000
   60    66    67    70.00000  123.50000
   61    55    57    70.00000  105.40000
   61    62    63    70.00000  111.00000
   62    63    64    35.00000  115.45000
   62    63    65    70.00000  129.10000
   63    65    66    70.00000  118.60000
   65    63    64    35.00000  115.45000
   65    66    67    70.00000  119.30000
   66    60    61    85.00000  116.20000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   69    67    68    35.00000  120.00000
   56    43    44    35.00000  109.50000
   56    43    45    50.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55   105.00000  106.22000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    45    46    35.00000  109.50000
   49    45    47    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   0.00000  1.0 1.0
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.15000  1.0 3.0
   24    29    33    35   0.15000  1.0 3.0
   24    29    33    39   0.15000  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    39    40    41   0.03000  1.0 3.0
   33    39    40    42   0.03000  1.0 3.0
   33    39    40    43  -2.65550  1.0 1.0
   33    39    40    43  -0.22350 -1.0 2.0
   33    39    40    43   0.24150  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   39    40    43    44   0.23400  1.0 3.0
   39    40    43    45   0.62750  1.0 1.0
   39    40    43    45  -0.30950 -1.0 2.0
   39    40    43    45   0.27300  1.0 3.0
   39    40    43    56   1.11900  1.0 1.0
   39    40    43    56  -1.16350 -1.0 2.0
   39    40    43    56  -0.34150  1.0 3.0
   40    43    45    46   0.15000  1.0 3.0
   40    43    45    47   0.56750  1.0 1.0
   40    43    45    47  -0.07550 -1.0 2.0
   40    43    45    47   0.20000  1.0 3.0
   40    43    45    49   0.86500  1.0 1.0
   40    43    45    49  -0.17500 -1.0 2.0
   40    43    45    49   0.20800  1.0 3.0
   40    43    56    51   0.06250  1.0 1.0
   40    43    56    51  -0.01100 -1.0 2.0
   40    43    56    51   0.28050  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    56   0.23400  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45   0.15000  1.0 3.0
   42    40    43    56   0.23400  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45   -47    51   3.97050  1.0 1.0
   43    45    47    53   0.86500  1.0 1.0
   43    45    47    53  -0.17500 -1.0 2.0
   43    45    47    53   0.20800  1.0 3.0
   43    45    49    50  -0.11600  1.0 1.0
   43    45    49    50  -0.09450 -1.0 2.0
   43    45    49    50   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.23400  1.0 3.0
   44    43    56    51   0.37050  1.0 3.0
   45    43   -56    51   0.06250  1.0 1.0
   45    43   -56    51  -0.01100 -1.0 2.0
   45    43   -56    51   0.28050  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    55  -0.64600  1.0 1.0
   45    47    51    55   0.58400 -1.0 2.0
   45    47   -51    56   0.62750  1.0 1.0
   45    47   -51    56  -0.30950 -1.0 2.0
   45    47   -51    56   0.27300  1.0 3.0
   45    47    53    54  -0.11600  1.0 1.0
   45    47    53    54  -0.09450 -1.0 2.0
   45    47    53    54   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    47    53   0.23400  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50  -0.11600  1.0 1.0
   47    45    49    50  -0.09450 -1.0 2.0
   47    45    49    50   0.21250  1.0 3.0
   47    51    55    57   1.10250  1.0 1.0
   47    51    55    57   0.01650 -1.0 2.0
   47    51    55    57   0.39100  1.0 3.0
   47    51    55    61   1.10250  1.0 1.0
   47    51    55    61   0.01650 -1.0 2.0
   47    51    55    61   0.39100  1.0 3.0
   47    51   -56    43   0.06250  1.0 1.0
   47    51   -56    43  -0.01100 -1.0 2.0
   47    51   -56    43   0.28050  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.15000  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    55    57    58   3.62500 -1.0 2.0
   51    55    57    59   3.62500 -1.0 2.0
   51    55    61    60   0.81400  1.0 1.0
   51    55    61    60   1.55550 -1.0 2.0
   51    55    61    62   3.62500 -1.0 2.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    61   0.00000  1.0 1.0
   52    51    56    43   0.37050  1.0 3.0
   55    51    56    43  -2.37750  1.0 1.0
   55    51    56    43  -0.08150 -1.0 2.0
   55    51    56    43   0.59000  1.0 3.0
   55    57   -59    60   3.62500 -1.0 2.0
   55    61    62    63   3.62500 -1.0 2.0
   57    55   -61    60   0.70250  1.0 1.0
   57    55   -61    60   1.56150 -1.0 2.0
   57    55    61    62   3.62500 -1.0 2.0
   57    59   -60    61   3.62500 -1.0 2.0
   57    59    60    66   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    60   -61    55   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    66    65   3.62500 -1.0 2.0
   59    60    66    67   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    66    67    68   0.70000 -1.0 2.0
   60    66    67    69   0.70000 -1.0 2.0
   61    55    57    58   3.62500 -1.0 2.0
   61    55   -57    59   3.62500 -1.0 2.0
   61    60    66    65   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62   -63    65   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   63    65   -66    60   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    66    67    68   0.70000 -1.0 2.0
   65    66    67    69   0.70000 -1.0 2.0
   66    60    61    55   3.00000 -1.0 2.0
   66    60   -61    62   3.62500 -1.0 2.0
   56    43    45    46   0.23400  1.0 3.0
   56    43   -45    47   0.62750  1.0 1.0
   56    43   -45    47  -0.30950 -1.0 2.0
   56    43   -45    47   0.27300  1.0 3.0
   56    43    45    49   3.69350  1.0 1.0
   56    43    45    49  -1.82950 -1.0 2.0
   56    51    55    57   0.10350  1.0 1.0
   56    51    55    57  -0.15350 -1.0 2.0
   56    51    55    61   0.10350  1.0 1.0
   56    51    55    61  -0.15350 -1.0 2.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   2.76900  1.0 1.0
   53    47    51    55  -0.24350 -1.0 2.0
   53    47    51    55  -0.78250  1.0 3.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    51   0.86500  1.0 1.0
   49    45    47    51  -0.17500 -1.0 2.0
   49    45    47    51   0.20800  1.0 3.0
   49    45    47    53   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   57    61    55    51   4.00000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    66    60    59   4.00000 -1.0 2.0
   60    62    61    55   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   65    67    66    60   4.00000 -1.0 2.0
   69    66    67    68   1.00000 -1.0 2.0
END
