* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    220     416
    1     0 S   NP   _N1_     1    28.85903    95.52217   -22.42565
    2     1 S   H    _HN1     2     1.02945    78.17964    13.54954
    3     1 S   H    _H1_     3     1.02833    34.22683   161.09909
    4     1 S   H    _H2_     4     1.02790   100.88160   -93.11371
    5     1 S   CT   _CA1     5     1.50137   139.92800   121.38122
    6     5 S   HC   _HA1     6     1.09580   105.17060    82.11836
    7     5 S   CO3  _C1_     7     1.53780   112.10801   -37.96881
    8     7 S   O2Z  _O11     8     1.26356   115.02477   -49.77691
    9     7 S   O2Z  _O12     9     1.26199   114.85370   128.85487
   10     5 S   CT   _CB1    10     1.53040   107.35721  -160.13313
   11    10 S   HC   HB11    11     1.09835   109.34623   -49.89690
   12    10 S   HC   HB12    12     1.09810   110.52274    66.70319
   13    10 S   CT   _CG1    13     1.52990   112.59160  -170.84663
   14    13 S   HC   HG11    14     1.09493   110.48043   -65.04139
   15    13 S   HC   HG12    15     1.09662   109.86180    54.07512
   16    13 S   C    _CD1    16     1.51878   112.04324   174.40157
   17    16 S   O    _OE1    17     1.22764   123.17201     5.56810
   18    16 S   N    _N2_    18     1.38610   111.87313  -174.22009
   19    18 S   H    _HN2    19     1.01629   119.07757     0.24549
   20    18 S   CT1  _CA2    20     1.46335   123.40100   176.96707
   21    20 S   HC   _HA2    21     1.09736   109.31986     2.16238
   22    20 S   C    _C2_    22     1.53562   108.88766  -113.26064
   23    22 S   O    _O2_    23     1.23072   122.24773  -150.84154
   24    20 S   CT   _CB2    32     1.53291   111.39783   124.18059
   25    24 S   HC   HB21    33     1.09363   109.55934    56.68479
   26    24 S   HC   HB22    34     1.09509   110.79278   174.87000
   27    22 S   N    _N3_    24     1.38336   113.78857    36.86011
   28    27 S   H    _HN3    25     1.01579   119.52744    -3.70803
   29    24 S   S    _SG2    35     1.82901   111.12829   -66.18471
   30    27 S   CT   _CA3    26     1.45264   123.20347   177.06989
   31    30 S   HC   HA31    27     1.09549   107.58847   -63.31604
   32    30 S   HC   HA32    28     1.09560   107.89623    53.10348
   33    29 S   CT   _C18    36     1.82248   100.23120   144.03044
   34    33 S   HC   _H3_    37     1.09466   108.19468    54.23733
   35    33 S   HC   _H4_    38     1.09509   107.97023   168.83768
   36    30 S   CO3  _C3_    29     1.52946   114.10093   175.13393
   37    36 S   O2Z  _O31    30     1.26372   116.09433     2.39784
   38    36 S   O2Z  _O32    31     1.26431   114.40667  -177.60510
   39    33 S   CM   _C6_    39     1.50068   112.25408   -70.73294
   40    39 S   CMA  _C7_    40     1.35252   127.06494   119.60330
   41    40 S   OM   _O16    41     1.26288   128.29434     0.98794
   42    40 S   OS   _O17    42     1.42557   109.25243  -176.96223
   43    42 S   CT   _C14    43     1.43718   104.66976   -21.94103
   44    43 S   HC   _H30    44     1.10101   106.92770   -83.44558
   45    43 S   CT   _C12    45     1.53155   111.58536   156.89614
   46    45 S   HC   _H28    46     1.10040   108.30953   -68.24281
   47    39 S   CT   _C13    55     1.49989   122.64700   -57.37321
   48    47 S   HC   _H29    56     1.09715   107.17203    81.55361
   49    45 S   CM   _C4_    47     1.52645   115.50289   170.53382
   50    49 S   CM   _C5_    48     1.35219   128.23239    43.53717
   51    49 S   CT   _C8_    61     1.51671   108.57074  -139.32732
   52    51 S   HC   _H20    62     1.09563   110.03007   106.83061
   53    51 S   HC   _H21    63     1.09432   112.85842  -130.84019
   54    50 S   CT   _C9_    49     1.51609   125.72464     3.51897
   55    54 S   HC   _H22    50     1.09800   108.24359    77.31044
   56    54 S   HC   _H23    51     1.09876   108.46140  -169.26441
   57    50 S   CT   _C16    57     1.51367   121.97457   179.81977
   58    57 S   HC   _H31    58     1.09572   109.91232   125.06400
   59    57 S   HC   _H32    59     1.09245   114.01315     5.54708
   60    57 S   HC   _H33    60     1.09504   110.07068  -115.56018
   61    51 S   CT   _C10    64     1.51964   104.38061   -11.70949
   62    61 S   HC   _H24    65     1.09538   112.07949   155.73204
   63    61 S   HC   _H25    66     1.09807   110.64199   -85.57964
   64    54 S   CT   _C11    52     1.52930   118.44204   -48.64438
   65    64 S   HC   _H26    53     1.09623   107.11923  -169.52693
   66    64 S   HC   _H27    54     1.09736   110.25941   -54.49620
   67    45 S   CT   _C15    67     1.55373   114.04750    50.55055
   68    67 S   CT   _C17    68     1.53357   115.53338    39.23722
   69    68 S   HC   _H34    69     1.09481   111.37533   -71.00691
   70    68 S   HC   _H35    70     1.09642   110.42684   171.94231
   71    68 S   HC   _H36    71     1.09413   112.56113    51.12452
   72    67 S   OH   _O18    72     1.42514   110.08845   -84.24158
   73    72 S   HO   _H39    73     0.97213   107.89581  -174.34175
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  16   7  21   8  10   4
  18  15  10   5   4   9   5   4   4   2   1   1   9   4   3   2
   1   1   6   5   3   2   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    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    64    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    54    64    65    66    47    48  
   41    42    43    44    45    64    47    48  
   42    43    47  
   43    44    45    46    49    64    47    48    67  
   44    45    46    49    50    54    64    65    66    47    48    51    61    67    68    72  
   45    46    49    64    47    48    67  
   46    49    50    54    64    47    48    57    51    52    53    61    62    63    67    68    69    70    71    72    73  
   49    50    47    51    61    67    68    72  
   48    67    49    50    54    55    56    64    65    66  
   54    64    65    66  
   50    54    55    56    64    57    58    59    60    51    52    53    61    62    63    67    68    72  
   54    55    56    64    65    66    57    58    59    60    51    52    53    61    67  
   52    53    61    62    63    67    68    72    54    57  
   53    61    62    63    67  
   61    62    63    67  
   55    56    64    65    66    57    58    59    60  
   56    64    65    66    57  
   64    65    66    57  
   58    59    60    64  
   59    60  
   60  
    0  
   62    63    67    68    69    70    71    72    73  
   63    67    68    72  
   67    68    72  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   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   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    67   268.000  1.529
   49    50   549.000  1.340
   49    51   317.000  1.510
   50    54   317.000  1.510
   50    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    47   268.000  1.529
   47    48   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   268.000  1.529
   67    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   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    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    64    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    70.00000  112.02700
   43    45    67    58.35000  112.70000
   43    47    64    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    49    50    70.00000  124.00000
   45    49    51    65.00000  117.92700
   45    67    61    58.35000  112.70000
   45    67    68    58.35000  112.70000
   45    67    72    50.00000  109.50000
   49    45    46    35.00000  109.50000
   49    50    54    70.00000  124.00000
   49    50    57    70.00000  124.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    61    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    64    70.00000  112.02700
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    47    58.35000  112.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    47    48    37.50000  110.70000
   66    64    65    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    64    65    37.50000  110.70000
   47    64    66    37.50000  110.70000
   57    50    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    49    50    70.00000  124.00000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    67    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    67    68    58.35000  112.70000
   61    67    72    50.00000  109.50000
   63    61    62    33.00000  107.80000
   67    45    46    37.50000  110.70000
   67    45    49    70.00000  112.02700
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    64   0.46850  1.0 1.0
   33    39    47    64   0.08550 -1.0 2.0
   33    39    47    64   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    64   0.09850  1.0 1.0
   40    39    47    64   0.15250 -1.0 2.0
   40    39    47    64  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.61850  1.0 1.0
   42    43    45    49  -0.22750 -1.0 2.0
   42    43    45    49   0.15300  1.0 3.0
   42    43    45    67   0.62750  1.0 1.0
   42    43    45    67  -0.30950 -1.0 2.0
   42    43    45    67   0.27300  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    64   0.62750  1.0 1.0
   42    43    47    64  -0.30950 -1.0 2.0
   42    43    47    64   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.09850  1.0 1.0
   43    45    49    50   0.15250 -1.0 2.0
   43    45    49    50  -0.50650  1.0 3.0
   43    45    49    51   0.46850  1.0 1.0
   43    45    49    51   0.08550 -1.0 2.0
   43    45    49    51   0.09800  1.0 3.0
   43    45    67    61   0.56750  1.0 1.0
   43    45    67    61  -0.07550 -1.0 2.0
   43    45    67    61   0.20000  1.0 3.0
   43    45    67    68   0.56750  1.0 1.0
   43    45    67    68  -0.07550 -1.0 2.0
   43    45    67    68   0.20000  1.0 3.0
   43    45    67    72   0.86500  1.0 1.0
   43    45    67    72  -0.17500 -1.0 2.0
   43    45    67    72   0.20800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    67   0.15000  1.0 3.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    64   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.34400  1.0 1.0
   45    43    47    39   0.09450 -1.0 2.0
   45    43    47    39   0.11100  1.0 3.0
   45    43    47    64   0.56750  1.0 1.0
   45    43    47    64  -0.07550 -1.0 2.0
   45    43    47    64   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    54   7.00000 -1.0 2.0
   45    49    50    57   7.00000 -1.0 2.0
   45    49    51    52   0.34800  1.0 3.0
   45    49    51    53   0.34800  1.0 3.0
   45    49   -51    61   0.46850  1.0 1.0
   45    49   -51    61   0.08550 -1.0 2.0
   45    49   -51    61   0.09800  1.0 3.0
   45    67    68    69   0.15000  1.0 3.0
   45    67    68    70   0.15000  1.0 3.0
   45    67    68    71   0.15000  1.0 3.0
   45    67    72    73  -0.11600  1.0 1.0
   45    67    72    73  -0.09450 -1.0 2.0
   45    67    72    73   0.21250  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.34800  1.0 3.0
   46    45    67    61   0.15000  1.0 3.0
   46    45    67    68   0.15000  1.0 3.0
   46    45    67    72   0.23400  1.0 3.0
   49    45   -67    61   0.34400  1.0 1.0
   49    45   -67    61   0.09450 -1.0 2.0
   49    45   -67    61   0.11100  1.0 3.0
   49    45    67    68   0.34400  1.0 1.0
   49    45    67    68   0.09450 -1.0 2.0
   49    45    67    68   0.11100  1.0 3.0
   49    45    67    72   1.05650  1.0 1.0
   49    45    67    72   0.15600 -1.0 2.0
   49    45    67    72   0.53150  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50    54    64   0.09850  1.0 1.0
   49    50    54    64   0.15250 -1.0 2.0
   49    50    54    64  -0.50650  1.0 3.0
   49    50    57    58   0.00000  1.0 1.0
   49    50    57    59   0.00000  1.0 1.0
   49    50    57    60   0.00000  1.0 1.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51   -61    67   0.34400  1.0 1.0
   49    51   -61    67   0.09450 -1.0 2.0
   49    51   -61    67   0.11100  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    61   0.09850  1.0 1.0
   50    49    51    61   0.15250 -1.0 2.0
   50    49    51    61  -0.50650  1.0 3.0
   50    54    64    65   0.15000  1.0 3.0
   50    54    64    66   0.15000  1.0 3.0
   50    54    64    47   0.34400  1.0 1.0
   50    54    64    47   0.09450 -1.0 2.0
   50    54    64    47   0.11100  1.0 3.0
   54    50    57    58   0.34800  1.0 3.0
   54    50    57    59   0.34800  1.0 3.0
   54    50    57    60   0.34800  1.0 3.0
   54    64    47    39   0.34400  1.0 1.0
   54    64    47    39   0.09450 -1.0 2.0
   54    64    47    39   0.11100  1.0 3.0
   54    64    47    43   0.56750  1.0 1.0
   54    64    47    43  -0.07550 -1.0 2.0
   54    64    47    43   0.20000  1.0 3.0
   54    64    47    48   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    47   0.15000  1.0 3.0
   56    54    64    65   0.15000  1.0 3.0
   56    54    64    66   0.15000  1.0 3.0
   56    54    64    47   0.15000  1.0 3.0
   65    64    47    39   0.15000  1.0 3.0
   65    64    47    43   0.15000  1.0 3.0
   65    64    47    48   0.15000  1.0 3.0
   66    64    47    39   0.15000  1.0 3.0
   66    64    47    43   0.15000  1.0 3.0
   66    64    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    43    45    67   0.56750  1.0 1.0
   47    43    45    67  -0.07550 -1.0 2.0
   47    43    45    67   0.20000  1.0 3.0
   57    50    54    55   0.34800  1.0 3.0
   57    50    54    56   0.34800  1.0 3.0
   57    50    54    64   0.46850  1.0 1.0
   57    50    54    64   0.08550 -1.0 2.0
   57    50    54    64   0.09800  1.0 3.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    57   7.00000 -1.0 2.0
   51    61   -67    45   0.56750  1.0 1.0
   51    61   -67    45  -0.07550 -1.0 2.0
   51    61   -67    45   0.20000  1.0 3.0
   51    61    67    68   0.56750  1.0 1.0
   51    61    67    68  -0.07550 -1.0 2.0
   51    61    67    68   0.20000  1.0 3.0
   51    61    67    72   0.86500  1.0 1.0
   51    61    67    72  -0.17500 -1.0 2.0
   51    61    67    72   0.20800  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    67   0.15000  1.0 3.0
   53    51    61    62   0.15000  1.0 3.0
   53    51    61    63   0.15000  1.0 3.0
   53    51    61    67   0.15000  1.0 3.0
   61    67    68    69   0.15000  1.0 3.0
   61    67    68    70   0.15000  1.0 3.0
   61    67    68    71   0.15000  1.0 3.0
   61    67    72    73  -0.11600  1.0 1.0
   61    67    72    73  -0.09450 -1.0 2.0
   61    67    72    73   0.21250  1.0 3.0
   62    61    67    45   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    72   0.23400  1.0 3.0
   63    61    67    45   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    72   0.23400  1.0 3.0
   67    45    49    50   0.09850  1.0 1.0
   67    45    49    50   0.15250 -1.0 2.0
   67    45    49    50  -0.50650  1.0 3.0
   67    45   -49    51   0.46850  1.0 1.0
   67    45   -49    51   0.08550 -1.0 2.0
   67    45   -49    51   0.09800  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    51    49    50   1.10000 -1.0 2.0
   54    57    50    49   1.10000 -1.0 2.0
END
