* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    132    196     380
    1     0 S   NP   _N1_     1    28.57484    96.80173   -21.25481
    2     1 S   H    _HN1     2     1.02958    73.89686    25.07541
    3     1 S   H    _H1_     3     1.02834    46.10591   159.59957
    4     1 S   H    _H2_     4     1.02779    89.17923   -84.28105
    5     1 S   CT   _CA1     5     1.50116   154.14607   128.71324
    6     5 S   HC   _HA1     6     1.09576   105.22642    82.44508
    7     5 S   CO3  _C1_     7     1.53778   112.40877   -37.76093
    8     7 S   O2Z  _O11     8     1.26358   115.00504   -43.67474
    9     7 S   O2Z  _O12     9     1.26239   114.91909   135.51358
   10     5 S   CT   _CB1    10     1.53094   107.42653  -159.65221
   11    10 S   HC   HB11    11     1.09826   109.30578   -50.86750
   12    10 S   HC   HB12    12     1.09818   110.42615    65.67420
   13    10 S   CT   _CG1    13     1.53014   112.68815  -171.96794
   14    13 S   HC   HG11    14     1.09594   110.46533   -64.41761
   15    13 S   HC   HG12    15     1.09657   109.95273    54.80602
   16    13 S   C    _CD1    16     1.51824   112.32143   175.14687
   17    16 S   O    _OE1    17     1.22723   123.24413    -0.76105
   18    16 S   N    _N2_    18     1.38628   111.62923   179.48338
   19    18 S   H    _HN2    19     1.01578   119.06940     1.17520
   20    18 S   CT1  _CA2    20     1.46210   123.43997   179.41249
   21    20 S   HC   _HA2    21     1.09738   109.34043    -3.26830
   22    20 S   C    _C2_    22     1.53581   108.81791  -118.81312
   23    22 S   O    _O2_    23     1.23042   122.18128  -148.61218
   24    20 S   CT   _CB2    32     1.53353   111.44718   118.64882
   25    24 S   HC   HB21    33     1.09568   109.96758    55.37408
   26    24 S   HC   HB22    34     1.09406   109.83163   174.54483
   27    22 S   N    _N3_    24     1.38493   113.60432    38.96572
   28    27 S   H    _HN3    25     1.01488   118.93424    -0.74599
   29    24 S   S    _SG2    35     1.82864   111.68188   -65.75037
   30    27 S   CT   _CA3    26     1.45453   123.53065   175.14211
   31    30 S   HC   HA31    27     1.09519   109.37428    22.06962
   32    30 S   HC   HA32    28     1.09503   107.09008   139.08484
   33    29 S   CT   _C5_    36     1.83856    99.80355   171.18310
   34    33 S   HC   _H3_    37     1.09516   105.60809   -57.94504
   35    30 S   CO3  _C3_    29     1.52913   113.01087  -101.50732
   36    35 S   O2Z  _O31    30     1.26412   115.35780   -45.60083
   37    35 S   O2Z  _O32    31     1.26351   115.02092   135.34029
   38    33 S   CM   _C6_    38     1.53472   111.83570    63.45827
   39    33 S   CT   _C4_    68     1.53050   108.81596  -171.50629
   40    39 S   HC   _H6_    69     1.09567   112.64504   -58.12484
   41    39 S   HC   _H7_    70     1.09603   110.56333  -178.71747
   42    39 S   HC   _H8_    71     1.09634   110.88705    62.57315
   43    38 S   CMA  _C7_    39     1.36835   121.98194  -114.90969
   44    43 S   OM   _O33    40     1.26934   125.57356    -1.46045
   45    38 S   CT   _C16    64     1.51963   115.43884    65.92707
   46    45 S   HC   _H19    65     1.09389   111.05841   -55.51785
   47    45 S   HC   _H20    66     1.09349   113.89242  -175.27209
   48    45 S   HC   _H21    67     1.09441   110.29458    64.84471
   49    43 S   OS   _O34    41     1.41691   111.95911  -179.49565
   50    49 S   CT   _C8_    42     1.43057   114.90032  -131.95215
   51    50 S   HC   _H4_    43     1.09854   111.62256   -51.73062
   52    50 S   CT   _C9_    44     1.52408   112.12796    72.87436
   53    52 S   HC   _H9_    45     1.09721   111.27905    34.80065
   54    52 S   HC   _H10    46     1.09424   112.04436   -85.81700
   55    52 S   CT   _C10    47     1.51435   102.23450   154.01427
   56    55 S   HC   _H11    48     1.09787   109.22994    76.30597
   57    55 S   HC   _H12    49     1.09394   111.97669  -163.34526
   58    55 S   NT   _N4_    50     1.46960   103.22608   -43.45918
   59    58 S   CT   _C14    51     1.47766   112.46245   149.28238
   60    59 S   HC   _H14    52     1.09546   109.19043   132.79935
   61    59 S   HC   _H15    53     1.09555   113.05083    12.85443
   62    59 S   CM   _C13    54     1.49159   106.20384  -109.20743
   63    62 S   HC   _H13    55     1.08013   123.89901   176.45398
   64    62 S   CM   _C12    56     1.33632   110.87869    -4.97792
   65    50 S   CT   _C11    57     1.53698   109.23887  -173.82406
   66    65 S   HC   _H5_    58     1.09731   111.35402   -18.48289
   67    64 S   CT   _C15    59     1.48648   127.30151  -178.57001
   68    67 S   HC   _H16    60     1.09480   111.46546     0.33161
   69    67 S   HC   _H17    61     1.09438   110.58765  -120.26594
   70    67 S   OH   _O35    62     1.42021   109.20647   119.97309
   71    70 S   HO   _H18    63     0.97215   106.97182   174.24878
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7
   5   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    65    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    64    65    66  
   51    52    53    54    55    56    57    58    59    62    64    65    66    67  
   52    53    54    55    58    64    65    66  
   53    54    55    56    57    58    59    64    65    66  
   54    55    56    57    58    65  
   55    56    57    58    65  
   56    57    58    59    60    61    62    64    65    66  
   57    58    59    65  
   58    59    65  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69    70  
   64    65    67  
   65    66    67    68    69    70    71  
   66    67    68    69    70  
   67  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    65   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   382.000  1.448
   58    59   382.000  1.448
   58    65   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    67   317.000  1.510
   65    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   320.000  1.410
   70    71   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    65    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    65    58    56.20000  109.47000
   50    65    64    70.00000  112.02700
   50    65    66    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    51.80000  107.20000
   55    58    65    51.80000  107.20000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    75.00000  110.70900
   58    65    64    75.00000  110.70900
   58    65    66    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    67    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    90.00000  110.39200
   65    50    51    37.50000  110.70000
   65    50    52    58.35000  112.70000
   65    58    59    51.80000  107.20000
   67    64    65    65.00000  117.92700
   67    70    71    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    65  -0.46850  1.0 1.0
   43    49    50    65   0.09300 -1.0 2.0
   43    49    50    65  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    65    58   1.74050  1.0 1.0
   49    50    65    64   0.61850  1.0 1.0
   49    50    65    64  -0.22750 -1.0 2.0
   49    50    65    64   0.15300  1.0 3.0
   49    50    65    66   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    65    58   0.15000  1.0 3.0
   51    50    65    64   0.15000  1.0 3.0
   51    50    65    66   0.15000  1.0 3.0
   52    50   -65    58   1.53400  1.0 1.0
   52    50   -65    58  -0.09950 -1.0 2.0
   52    50   -65    58   0.05700  1.0 3.0
   52    50    65    64   0.34400  1.0 1.0
   52    50    65    64   0.09450 -1.0 2.0
   52    50    65    64   0.11100  1.0 3.0
   52    50    65    66   0.15000  1.0 3.0
   52    55    58    59   0.23450  1.0 1.0
   52    55    58    59   0.02050 -1.0 2.0
   52    55    58    59   0.25250  1.0 3.0
   52    55   -58    65   0.23450  1.0 1.0
   52    55   -58    65   0.02050 -1.0 2.0
   52    55   -58    65   0.25250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62  -0.60800  1.0 1.0
   55    58    59    62   1.10050 -1.0 2.0
   55    58    59    62   0.47000  1.0 3.0
   55    58   -65    50   0.23450  1.0 1.0
   55    58   -65    50   0.02050 -1.0 2.0
   55    58   -65    50   0.25250  1.0 3.0
   55    58    65    64  -0.60800  1.0 1.0
   55    58    65    64   1.10050 -1.0 2.0
   55    58    65    64   0.47000  1.0 3.0
   55    58    65    66   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    65   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    65   0.28000  1.0 3.0
   58    59    62    63   0.00000  1.0 1.0
   58    59   -62    64   0.90200  1.0 1.0
   58    59   -62    64   0.57900 -1.0 2.0
   58    59   -62    64  -0.62100  1.0 3.0
   59    58    65    50   0.23450  1.0 1.0
   59    58    65    50   0.02050 -1.0 2.0
   59    58    65    50   0.25250  1.0 3.0
   59    58   -65    64  -0.60800  1.0 1.0
   59    58   -65    64   1.10050 -1.0 2.0
   59    58   -65    64   0.47000  1.0 3.0
   59    58    65    66   0.28000  1.0 3.0
   59    62   -64    65   7.00000 -1.0 2.0
   59    62    64    67   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    50   0.09850  1.0 1.0
   62    64    65    50   0.15250 -1.0 2.0
   62    64    65    50  -0.50650  1.0 3.0
   62    64   -65    58   0.90200  1.0 1.0
   62    64   -65    58   0.57900 -1.0 2.0
   62    64   -65    58  -0.62100  1.0 3.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    67    68   0.00000  1.0 1.0
   62    64    67    69   0.00000  1.0 1.0
   62    64    67    70   0.67800  1.0 1.0
   62    64    67    70   0.47050 -1.0 2.0
   62    64    67    70  -0.62500  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    67   7.00000 -1.0 2.0
   64    67    70    71  -0.07800  1.0 1.0
   64    67    70    71  -0.21500 -1.0 2.0
   64    67    70    71  -0.03150  1.0 3.0
   65    50    52    53   0.15000  1.0 3.0
   65    50    52    54   0.15000  1.0 3.0
   65    50   -52    55   0.56750  1.0 1.0
   65    50   -52    55  -0.07550 -1.0 2.0
   65    50   -52    55   0.20000  1.0 3.0
   65    58    59    60   0.28000  1.0 3.0
   65    58    59    61   0.28000  1.0 3.0
   65    58   -59    62  -0.60800  1.0 1.0
   65    58   -59    62   1.10050 -1.0 2.0
   65    58   -59    62   0.47000  1.0 3.0
   65    64    67    68   0.34800  1.0 3.0
   65    64    67    69   0.34800  1.0 3.0
   65    64    67    70   0.18000  1.0 1.0
   65    64    67    70   0.16450 -1.0 2.0
   65    64    67    70   0.04450  1.0 3.0
   67    64    65    50   0.46850  1.0 1.0
   67    64    65    50   0.08550 -1.0 2.0
   67    64    65    50   0.09800  1.0 3.0
   67    64    65    58   0.52100  1.0 1.0
   67    64    65    58  -0.20350 -1.0 2.0
   67    64    65    58   0.29750  1.0 3.0
   67    64    65    66   0.34800  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71   0.19450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    67    64    62   1.10000 -1.0 2.0
END
