* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    222     405
    1     0 S   NP   _N1_     1    28.96431    97.79757   -21.24504
    2     1 S   H    _HN1     2     1.02780    90.97814   -94.55163
    3     1 S   H    _H1_     3     1.02950    67.47158    14.96367
    4     1 S   H    _H2_     4     1.02826    51.05930   153.01625
    5     1 S   CT   _CA1     5     1.50115   155.32295   104.98976
    6     5 S   HC   _HA1     6     1.09573   105.20123    97.40507
    7     5 S   CO3  _C1_     7     1.53801   112.44930   -22.80971
    8     7 S   O2Z  _O11     8     1.26372   115.00175   -42.27419
    9     7 S   O2Z  _O12     9     1.26242   114.94964   136.83854
   10     5 S   CT   _CB1    10     1.53083   107.41341  -144.62279
   11    10 S   HC   HB11    11     1.09829   109.38065   -49.82352
   12    10 S   HC   HB12    12     1.09814   110.43571    66.79047
   13    10 S   CT   _CG1    13     1.52966   112.59936  -170.83149
   14    13 S   HC   HG11    14     1.09595   110.55372   -64.93551
   15    13 S   HC   HG12    15     1.09666   109.86115    54.28289
   16    13 S   C    _CD1    16     1.51799   112.32318   174.71294
   17    16 S   O    _OE1    17     1.22716   123.33446     3.41191
   18    16 S   N    _N2_    18     1.38604   111.54233  -176.58430
   19    18 S   H    _HN2    19     1.01575   118.91388     1.93381
   20    18 S   CT1  _CA2    20     1.46249   123.56060   179.24983
   21    20 S   HC   _HA2    21     1.09726   109.43787     0.99681
   22    20 S   C    _C2_    22     1.53490   108.53512  -114.62666
   23    22 S   O    _O2_    23     1.23049   122.35288  -147.57213
   24    20 S   CT   _CB2    32     1.53241   111.16684   123.03463
   25    24 S   HC   HB21    33     1.09494   109.81360    56.19078
   26    24 S   HC   HB22    34     1.09513   110.72286   174.92908
   27    22 S   N    _N3_    24     1.38366   113.64664    39.86940
   28    27 S   H    _HN3    25     1.01597   119.52951    -3.37568
   29    24 S   S    _SG2    35     1.82632   111.35254   -65.57827
   30    27 S   CT   _CA3    26     1.45284   123.17766   177.08671
   31    30 S   HC   HA31    27     1.09550   107.50655   -64.47945
   32    30 S   HC   HA32    28     1.09558   107.97782    51.94297
   33    29 S   CT   _C9_    36     1.84238    99.33435   159.20185
   34    33 S   HC   _H4_    37     1.09652   108.40242    27.22045
   35    30 S   CO3  _C3_    29     1.52950   114.11896   173.94155
   36    35 S   O2Z  _O31    30     1.26370   116.07062    -0.80551
   37    35 S   O2Z  _O32    31     1.26430   114.40933   179.25796
   38    33 S   CM   _C10    38     1.52099   108.89731   146.68397
   39    38 S   CM   _C6_    39     1.46238   108.91161   107.15077
   40    39 S   CM   _C5_    40     1.34858   121.78730   168.21782
   41    39 S   CT   _C7_    61     1.50288   108.78665    -6.22586
   42    41 S   HC   _H3_    62     1.09487   113.18980   145.85596
   43    40 S   C3T  _C13    41     1.50343   118.99911    -2.84062
   44    40 S   CT   _C4_    57     1.50575   122.08343   177.91400
   45    44 S   HC   _H5_    58     1.09436   110.77354   114.93225
   46    44 S   HC   _H6_    59     1.09348   113.03786    -5.67779
   47    44 S   HC   _H7_    60     1.09509   110.16356  -124.61987
   48    33 S   CT   _C8_    63     1.56266   115.61897   -97.74351
   49    41 S   OH   _O35    72     1.42225   109.68631   -92.99765
   50    49 S   HO   _H22    73     0.97210   107.74627   -55.49554
   51    43 S   C3T  _C14    42     1.51887   121.22546  -177.85078
   52    51 S   HC   _H8_    43     1.08240   120.52394    -5.52592
   53    51 S   HC   _H9_    44     1.08474   118.58792  -151.64522
   54    43 S   CT   _C12    48     1.55581   113.93079    29.46161
   55    48 S   CT   _C17    64     1.53776   115.94863    35.72826
   56    55 S   HC   _H16    65     1.09505   111.11069    60.78026
   57    55 S   HC   _H17    66     1.09384   113.14968   -60.78651
   58    55 S   HC   _H18    67     1.09648   110.48713   179.80021
   59    48 S   CT   _C18    68     1.55286   108.79573   156.25655
   60    59 S   HC   _H19    69     1.09612   110.66695   -65.73930
   61    59 S   HC   _H20    70     1.09605   110.87219   174.83889
   62    59 S   HC   _H21    71     1.09521   112.69658    54.47452
   63    43 S   C3T  _C15    45     1.52782   114.15840  -110.79382
   64    63 S   HC   _H10    46     1.08339   119.38382   139.51945
   65    63 S   HC   _H11    47     1.08435   119.23224    -6.17120
   66    38 S   CMA  _C11    49     1.35579   127.41560   -72.84696
   67    66 S   OM   _O34    50     1.26493   130.37656    -1.52777
   68    54 S   CT   _C16    51     1.54412   109.07707    80.72006
   69    68 S   HC   _H12    52     1.09627   110.78911    57.86858
   70    68 S   HC   _H13    53     1.09528   112.17984   -62.67247
   71    68 S   HC   _H14    54     1.09633   111.29734   175.73717
   72    54 S   OH   _O33    55     1.44146   108.81627  -164.32600
   73    72 S   HO   _H15    56     0.97415   106.11539   147.65623
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1  15  18  19  15   5  19   6   2   1   1  11
   3   1   9   5   4  11   7   3   2   1   3   2   1   1   5   1
   1   7   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    66    41    48    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    54    66    67    41    42    48    55    56    57    58    59    60    61    62    49  
   38    39    66    41    48    55    59  
   36    37  
   37  
    0  
   39    40    43    54    66    67    68    72    44    41    42    48    55    59    49  
   40    43    51    63    54    66    67    44    45    46    47    41    42    48    55    59    49    50  
   43    51    52    53    63    64    65    54    66    68    72    44    45    46    47    41    42    48    49  
   42    48    55    56    57    58    59    60    61    62    49    50    43    44    66  
   48    55    59    49    50  
   51    52    53    63    64    65    54    66    67    68    69    70    71    72    73    44    45    46    47  
   45    46    47    51    54    63  
   46    47  
   47  
    0  
   55    56    57    58    59    60    61    62    49    50    66  
   50    55    59  
    0  
   52    53    63    64    65    54    66    68    72  
   53    63    64    65    54  
   63    64    65    54  
   66    67    68    69    70    71    72    73    63    64    65  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    68    72  
   65  
    0  
   67    68    69    70    71    72    73  
   68    72  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   380.000  1.444
   38    66   465.000  1.376
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    43   305.000  1.480
   40    44   317.000  1.510
   43    51   260.000  1.509
   43    63   260.000  1.509
   43    54   275.000  1.510
   51    52   340.000  1.088
   51    53   340.000  1.088
   51    63   260.000  1.509
   63    64   340.000  1.088
   63    65   340.000  1.088
   54    66   270.000  1.512
   54    68   268.000  1.529
   54    72   320.000  1.410
   66    67   745.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    49   320.000  1.410
   48    55   268.000  1.529
   48    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    66    70.00000  124.00000
   33    48    41    58.35000  112.70000
   33    48    55    58.35000  112.70000
   33    48    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    66    54    65.00000  122.18000
   38    66    67    65.00000  137.10300
   39    40    43    55.00000  125.06700
   39    40    44    70.00000  124.00000
   39    41    42    35.00000  109.50000
   39    41    48    70.00000  112.02700
   39    41    49    90.00000  110.39200
   40    43    51    60.00000  120.58800
   40    43    63    60.00000  120.58800
   40    43    54    65.00000  117.55000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    51    52    37.50000  117.20000
   43    51    53    37.50000  117.20000
   43    51    63    10.00000   60.00500
   43    63    51    10.00000   60.00500
   43    63    64    37.50000  117.20000
   43    63    65    37.50000  117.20000
   43    54    66    70.00000  112.02700
   43    54    68    70.00000  112.37300
   43    54    72    50.00000  109.50000
   51    63    64    37.50000  117.20000
   51    63    65    37.50000  117.20000
   53    51    52    35.00000  114.30000
   63    43    51    10.00000   60.00500
   63    51    52    37.50000  117.20000
   63    51    53    37.50000  117.20000
   65    63    64    35.00000  114.30000
   54    43    51    60.00000  120.94000
   54    43    63    60.00000  120.94000
   54    66    67    85.00000  112.85300
   54    68    69    37.50000  110.70000
   54    68    70    37.50000  110.70000
   54    68    71    37.50000  110.70000
   54    72    73    55.00000  108.50000
   66    38    39    70.00000  117.34000
   68    54    66    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    54    66    90.00000  110.39200
   72    54    68    50.00000  109.50000
   44    40    43    65.00000  117.92700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   41    39    40    70.00000  124.00000
   41    48    55    58.35000  112.70000
   41    48    59    58.35000  112.70000
   41    49    50    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    41    42    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   48    59    62    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    48    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    66   0.42700  1.0 1.0
   29    33    38    66  -0.70350 -1.0 2.0
   29    33    38    66  -0.43150  1.0 3.0
   29    33    48    41   0.44750  1.0 1.0
   29    33    48    41  -0.17800 -1.0 2.0
   29    33    48    41   0.20200  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   29    33    48    59   0.44750  1.0 1.0
   29    33    48    59  -0.17800 -1.0 2.0
   29    33    48    59   0.20200  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38   -39    41   0.35650  1.0 1.0
   33    38   -39    41   0.31450 -1.0 2.0
   33    38    66    54   7.00000 -1.0 2.0
   33    38    66    67   7.00000 -1.0 2.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   0.15000  1.0 3.0
   33    48    59    60   0.15000  1.0 3.0
   33    48    59    61   0.15000  1.0 3.0
   33    48    59    62   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    66   0.00000  1.0 1.0
   34    33    48    41   0.15000  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   34    33    48    59   0.15000  1.0 3.0
   38    33   -48    41   0.34400  1.0 1.0
   38    33   -48    41   0.09450 -1.0 2.0
   38    33   -48    41   0.11100  1.0 3.0
   38    33    48    55   0.34400  1.0 1.0
   38    33    48    55   0.09450 -1.0 2.0
   38    33    48    55   0.11100  1.0 3.0
   38    33    48    59   0.34400  1.0 1.0
   38    33    48    59   0.09450 -1.0 2.0
   38    33    48    59   0.11100  1.0 3.0
   38    39    40    43   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39   -41    48   0.98200  1.0 1.0
   38    39   -41    48  -0.11900 -1.0 2.0
   38    39   -41    48   0.24250  1.0 3.0
   38    39    41    49  -0.17300  1.0 1.0
   38    39    41    49   0.35150 -1.0 2.0
   38    39    41    49   0.31550  1.0 3.0
   39    38    66    54   7.00000 -1.0 2.0
   39    38    66    67   7.00000 -1.0 2.0
   39    40    43    51   0.09850  1.0 1.0
   39    40    43    51   0.15250 -1.0 2.0
   39    40    43    51  -0.50650  1.0 3.0
   39    40    43    63   0.09850  1.0 1.0
   39    40    43    63   0.15250 -1.0 2.0
   39    40    43    63  -0.50650  1.0 3.0
   39    40   -43    54   0.09850  1.0 1.0
   39    40   -43    54   0.15250 -1.0 2.0
   39    40   -43    54  -0.50650  1.0 3.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40    44    47   0.00000  1.0 1.0
   39    41   -48    33   0.34400  1.0 1.0
   39    41   -48    33   0.09450 -1.0 2.0
   39    41   -48    33   0.11100  1.0 3.0
   39    41    48    55   0.34400  1.0 1.0
   39    41    48    55   0.09450 -1.0 2.0
   39    41    48    55   0.11100  1.0 3.0
   39    41    48    59   0.34400  1.0 1.0
   39    41    48    59   0.09450 -1.0 2.0
   39    41    48    59   0.11100  1.0 3.0
   39    41    49    50  -0.07800  1.0 1.0
   39    41    49    50  -0.21500 -1.0 2.0
   39    41    49    50  -0.03150  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    48   0.09850  1.0 1.0
   40    39    41    48   0.15250 -1.0 2.0
   40    39    41    48  -0.50650  1.0 3.0
   40    39    41    49   0.67800  1.0 1.0
   40    39    41    49   0.47050 -1.0 2.0
   40    39    41    49  -0.62500  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43   -51    63   0.34400  1.0 1.0
   40    43   -51    63   0.09450 -1.0 2.0
   40    43   -51    63   0.11100  1.0 3.0
   40    43   -63    51   0.34400  1.0 1.0
   40    43   -63    51   0.09450 -1.0 2.0
   40    43   -63    51   0.11100  1.0 3.0
   40    43    63    64   0.15000  1.0 3.0
   40    43    63    65   0.15000  1.0 3.0
   40    43    54    66   0.31000  1.0 1.0
   40    43    54    66   0.14700 -1.0 2.0
   40    43    54    66   0.07550  1.0 3.0
   40    43    54    68   0.34400  1.0 1.0
   40    43    54    68   0.09450 -1.0 2.0
   40    43    54    68   0.11100  1.0 3.0
   40    43    54    72   1.05650  1.0 1.0
   40    43    54    72   0.15600 -1.0 2.0
   40    43    54    72   0.53150  1.0 3.0
   43    40    44    45   0.34800  1.0 3.0
   43    40    44    46   0.34800  1.0 3.0
   43    40    44    47   0.34800  1.0 3.0
   43    51   -63    64   0.15000  1.0 3.0
   43    51   -63    65   0.15000  1.0 3.0
   43    54   -66    38   0.09850  1.0 1.0
   43    54   -66    38   0.15250 -1.0 2.0
   43    54   -66    38  -0.50650  1.0 3.0
   43    54    66    67   0.09700  1.0 1.0
   43    54    66    67   0.15600 -1.0 2.0
   43    54    66    67  -0.50800  1.0 3.0
   43    54    68    69   0.15000  1.0 3.0
   43    54    68    70   0.15000  1.0 3.0
   43    54    68    71   0.15000  1.0 3.0
   43    54    72    73  -0.11600  1.0 1.0
   43    54    72    73  -0.09450 -1.0 2.0
   43    54    72    73   0.21250  1.0 3.0
   51    43   -63    64   0.15000  1.0 3.0
   51    43   -63    65   0.15000  1.0 3.0
   51    43    54    66   0.34400  1.0 1.0
   51    43    54    66   0.09450 -1.0 2.0
   51    43    54    66   0.11100  1.0 3.0
   51    43    54    68   0.07850  1.0 1.0
   51    43    54    68  -0.03950 -1.0 2.0
   51    43    54    68   0.67350  1.0 3.0
   51    43    54    72   0.86500  1.0 1.0
   51    43    54    72  -0.17500 -1.0 2.0
   51    43    54    72   0.20800  1.0 3.0
   52    51   -63    43   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   53    51   -63    43   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    65   0.15000  1.0 3.0
   63    43   -51    52   0.15000  1.0 3.0
   63    43   -51    53   0.15000  1.0 3.0
   63    43    54    66   0.34400  1.0 1.0
   63    43    54    66   0.09450 -1.0 2.0
   63    43    54    66   0.11100  1.0 3.0
   63    43    54    68   0.07850  1.0 1.0
   63    43    54    68  -0.03950 -1.0 2.0
   63    43    54    68   0.67350  1.0 3.0
   63    43    54    72   0.86500  1.0 1.0
   63    43    54    72  -0.17500 -1.0 2.0
   63    43    54    72   0.20800  1.0 3.0
   54    43    51    52   0.15000  1.0 3.0
   54    43    51    53   0.15000  1.0 3.0
   54    43   -51    63   0.07850  1.0 1.0
   54    43   -51    63  -0.03950 -1.0 2.0
   54    43   -51    63   0.67350  1.0 3.0
   54    43   -63    51   0.07850  1.0 1.0
   54    43   -63    51  -0.03950 -1.0 2.0
   54    43   -63    51   0.67350  1.0 3.0
   54    43    63    64   0.15000  1.0 3.0
   54    43    63    65   0.15000  1.0 3.0
   66    38   -39    40   0.28850  1.0 1.0
   66    38   -39    40   2.61350 -1.0 2.0
   66    38   -39    40   0.78400  1.0 3.0
   66    38    39    41  -0.18600  1.0 3.0
   66    54    68    69   0.15000  1.0 3.0
   66    54    68    70   0.15000  1.0 3.0
   66    54    68    71   0.15000  1.0 3.0
   66    54    72    73  -0.07800  1.0 1.0
   66    54    72    73  -0.21500 -1.0 2.0
   66    54    72    73  -0.03150  1.0 3.0
   68    54    66    38   0.09850  1.0 1.0
   68    54    66    38   0.15250 -1.0 2.0
   68    54    66    38  -0.50650  1.0 3.0
   68    54    66    67   0.09700  1.0 1.0
   68    54    66    67   0.15600 -1.0 2.0
   68    54    66    67  -0.50800  1.0 3.0
   68    54    72    73  -0.11600  1.0 1.0
   68    54    72    73  -0.09450 -1.0 2.0
   68    54    72    73   0.21250  1.0 3.0
   72    54    66    38   0.67800  1.0 1.0
   72    54    66    38   0.47050 -1.0 2.0
   72    54    66    38  -0.62500  1.0 3.0
   72    54    66    67   0.09700  1.0 1.0
   72    54    66    67   0.15600 -1.0 2.0
   72    54    66    67  -0.50800  1.0 3.0
   72    54    68    69   0.23400  1.0 3.0
   72    54    68    70   0.23400  1.0 3.0
   72    54    68    71   0.23400  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    63   0.46850  1.0 1.0
   44    40    43    63   0.08550 -1.0 2.0
   44    40    43    63   0.09800  1.0 3.0
   44    40    43    54   0.46850  1.0 1.0
   44    40    43    54   0.08550 -1.0 2.0
   44    40    43    54   0.09800  1.0 3.0
   41    39    40    43   7.00000 -1.0 2.0
   41    39    40    44   7.00000 -1.0 2.0
   41    48    55    56   0.15000  1.0 3.0
   41    48    55    57   0.15000  1.0 3.0
   41    48    55    58   0.15000  1.0 3.0
   41    48    59    60   0.15000  1.0 3.0
   41    48    59    61   0.15000  1.0 3.0
   41    48    59    62   0.15000  1.0 3.0
   42    41    48    33   0.15000  1.0 3.0
   42    41    48    55   0.15000  1.0 3.0
   42    41    48    59   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    66   0.09850  1.0 1.0
   48    33    38    66   0.15250 -1.0 2.0
   48    33    38    66  -0.50650  1.0 3.0
   48    41    49    50  -0.11600  1.0 1.0
   48    41    49    50  -0.09450 -1.0 2.0
   48    41    49    50   0.21250  1.0 3.0
   55    48    59    60   0.15000  1.0 3.0
   55    48    59    61   0.15000  1.0 3.0
   55    48    59    62   0.15000  1.0 3.0
   59    48    55    56   0.15000  1.0 3.0
   59    48    55    57   0.15000  1.0 3.0
   59    48    55    58   0.15000  1.0 3.0
   49    41    48    33   0.86500  1.0 1.0
   49    41    48    33  -0.17500 -1.0 2.0
   49    41    48    33   0.20800  1.0 3.0
   49    41    48    55   0.86500  1.0 1.0
   49    41    48    55  -0.17500 -1.0 2.0
   49    41    48    55   0.20800  1.0 3.0
   49    41    48    59   0.86500  1.0 1.0
   49    41    48    59  -0.17500 -1.0 2.0
   49    41    48    59   0.20800  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
   33    39    38    66   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   43    44    40    39   1.10000 -1.0 2.0
   54    67    66    38   1.10000 -1.0 2.0
END
