* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    198     387
    1     0 S   NP   _N1_     1    29.05074    97.20683   -25.47211
    2     1 S   H    _HN1     2     1.02947    65.05196     1.28831
    3     1 S   H    _H1_     3     1.02824    42.15890  -174.24858
    4     1 S   H    _H2_     4     1.02805   123.64585   -94.92751
    5     1 S   CT   _CA1     5     1.50141   122.67454   100.42092
    6     5 S   HC   _HA1     6     1.09574   105.13772   104.98691
    7     5 S   CO3  _C1_     7     1.53759   112.49638   -15.23924
    8     7 S   O2Z  _O11     8     1.26387   115.00155   -41.78591
    9     7 S   O2Z  _O12     9     1.26232   114.95042   137.17185
   10     5 S   CT   _CB1    10     1.53039   107.38818  -137.00652
   11    10 S   HC   HB11    11     1.09855   109.33573   -48.66669
   12    10 S   HC   HB12    12     1.09811   110.47168    67.91285
   13    10 S   CT   _CG1    13     1.53063   112.68359  -169.54899
   14    13 S   HC   HG11    14     1.09555   110.86507   -68.83822
   15    13 S   HC   HG12    15     1.09659   109.61085    50.42727
   16    13 S   C    _CD1    16     1.51814   111.58330   171.07637
   17    16 S   O    _OE1    17     1.22789   122.98857    20.10439
   18    16 S   N    _N2_    18     1.38618   112.10050  -159.96586
   19    18 S   H    _HN2    19     1.01584   119.08280     0.41684
   20    18 S   CT1  _CA2    20     1.46242   123.30691   175.51764
   21    20 S   HC   _HA2    21     1.09742   109.23624     9.90572
   22    20 S   C    _C2_    22     1.53777   109.06939  -105.60587
   23    22 S   O    _O2_    23     1.23099   122.15498  -150.47013
   24    20 S   CT   _CB2    32     1.53452   111.62038   131.92561
   25    24 S   HC   HB21    33     1.09397   109.57608    57.11742
   26    24 S   HC   HB22    34     1.09434   109.62559   175.99806
   27    22 S   N    _N3_    24     1.38288   113.99603    37.06306
   28    27 S   H    _HN3    25     1.01515   119.62742    -3.23259
   29    24 S   S    _SG2    35     1.82822   111.20330   -64.71621
   30    27 S   CT   _CA3    26     1.45276   123.39016   177.29210
   31    30 S   HC   HA31    27     1.09544   107.51910   -64.95352
   32    30 S   HC   HA32    28     1.09553   108.00695    51.53123
   33    29 S   CT   _C9_    36     1.85650   101.99733   170.40263
   34    30 S   CO3  _C3_    29     1.53005   113.97869   173.52716
   35    34 S   O2Z  _O31    30     1.26399   116.08246    -0.22900
   36    34 S   O2Z  _O32    31     1.26424   114.42169   179.82754
   37    33 S   CT   _C8_    37     1.52885   115.14512    48.56471
   38    37 S   HC   _H12    38     1.09573   113.04595   -54.58742
   39    37 S   HC   _H13    39     1.10043   108.95099  -170.02958
   40    33 S   CO3  _C14    70     1.56147   102.21658   -73.78386
   41    40 S   O2Z  _O39    71     1.26686   115.94218   -74.05233
   42    40 S   O2Z  _O38    72     1.26613   115.82231   106.44670
   43    37 S   CT   _C7_    40     1.52511   112.28321    71.04130
   44    43 S   HC   _H4_    41     1.09642   110.58432   -68.78654
   45    43 S   CT   _C6_    42     1.53553   110.40266    53.77937
   46    45 S   HC   _H3_    43     1.09735   107.80398    69.16783
   47    43 S   OH   _O40    68     1.42798   108.90404   173.67299
   48    47 S   HO   _H19    69     0.97248   107.52846    58.07961
   49    45 S   CT   _C10    44     1.54428   110.54477   -51.04062
   50    49 S   HC   _H5_    45     1.09698   109.04591   -67.83158
   51    45 S   N    _N4_    60     1.46555   109.49040  -173.28674
   52    51 S   H    _H11    61     1.01543   117.56294    51.33051
   53    33 S   OS   _O34    46     1.43912   111.78873   173.14914
   54    49 S   CT   _C11    47     1.55007   112.67690   172.76758
   55    54 S   HC   _H6_    48     1.09694   108.31236    60.10157
   56    51 S   C    _C5_    62     1.38329   123.46482  -129.93497
   57    56 S   O    _O33    63     1.22757   125.77506    -1.07756
   58    54 S   CT   _C12    49     1.53946   112.68837  -179.17885
   59    58 S   HC   _H7_    50     1.09648   110.76770    59.51642
   60    54 S   OH   _O37    58     1.42768   108.96031   -57.32291
   61    60 S   HO   _H18    59     0.97195   107.78484   153.80748
   62    56 S   CT   _C4_    64     1.50484   112.32974  -179.73607
   63    62 S   HC   _H8_    65     1.09339   109.39863    74.28396
   64    62 S   HC   _H9_    66     1.09350   109.65006  -165.87739
   65    62 S   HC   _H10    67     1.09381   110.42900   -46.26184
   66    58 S   CT   _C13    51     1.52954   112.48959  -178.52860
   67    66 S   HC   _H14    52     1.09485   110.95804    64.73763
   68    66 S   HC   _H15    53     1.09358   111.68509   -57.84571
   69    58 S   OH   _O36    56     1.42957   108.83356   -58.64140
   70    69 S   HO   _H17    57     0.97363   106.69395  -179.44609
   71    66 S   OH   _O35    54     1.42549   108.82606  -176.89568
   72    71 S   HO   _H16    55     0.97253   107.00668   179.50981
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   2   1   1  14   7   6   5   2   1  12   6  15   8   3   1
  13   6   9   3   4  11   6   5   4  10   7   3   1   3   2   1
   1   6   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    49    50    53    54    47    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    45    46    49    53    51    47    48    40    41    42  
   39    43    44    45    53    47    40  
   43    44    45    53    47    40  
   41    42    43    49    53  
   42    53  
   53  
   44    45    46    49    50    53    54    51    52    56    47    48  
   45    46    49    51    47    48  
   46    49    50    53    54    55    58    60    51    52    56    57    62    47    48  
   49    50    53    54    51    52    56    47  
   48    49    51  
    0  
   50    53    54    55    58    59    66    69    60    61    51    52    56  
   53    54    55    58    60    51  
   52    56    57    62    63    64    65    53    54  
   56    57    62  
   54    55    58    60  
   55    58    59    66    67    68    71    69    70    60    61  
   58    59    66    69    60    61  
   57    62    63    64    65  
   62    63    64    65  
   59    66    67    68    71    72    69    70    60    61  
   66    67    68    71    69    70    60  
   61    66    69  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    68    71    72    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   320.000  1.410
   33    40   317.000  1.522
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   337.000  1.449
   49    50   340.000  1.090
   49    53   320.000  1.410
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   320.000  1.410
   58    59   340.000  1.090
   58    66   268.000  1.529
   58    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
   69    70   553.000  0.945
   60    61   553.000  0.945
   51    52   434.000  1.010
   51    56   490.000  1.335
   56    57   570.000  1.229
   56    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   47    48   553.000  0.945
   40    41   656.000  1.250
   40    42   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    85.00000  114.68000
   29    33    40    70.00000  116.78000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    53    49    60.00000  109.50000
   33    40    41    70.00000  117.00000
   33    40    42    70.00000  117.00000
   37    43    44    37.50000  110.70000
   37    43    45    58.35000  112.70000
   37    43    47    50.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    45    51    70.00000  110.72300
   43    47    48    55.00000  108.50000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    53    50.00000  109.50000
   45    49    54    58.35000  112.70000
   45    51    52    38.00000  118.40000
   45    51    56    50.00000  121.90000
   49    45    46    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    58    58.35000  112.70000
   49    54    60    50.00000  109.50000
   53    33    37    50.00000  109.50000
   53    49    50    35.00000  109.50000
   54    49    50    37.50000  110.70000
   54    49    53    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    66    58.35000  112.70000
   54    58    69    50.00000  109.50000
   54    60    61    55.00000  108.50000
   58    54    55    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    71    50.00000  109.50000
   58    69    70    55.00000  108.50000
   66    58    59    37.50000  110.70000
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   69    58    59    35.00000  109.50000
   69    58    66    50.00000  109.50000
   60    54    55    35.00000  109.50000
   60    54    58    50.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    49    70.00000  110.72300
   51    56    57    80.00000  122.90000
   51    56    62    70.00000  116.60000
   56    51    52    35.00000  119.80000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   62    56    57    80.00000  120.40000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    50.00000  109.50000
   40    33    37    70.00000  109.69300
   40    33    53    85.00000  109.63000
   42    40    41    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   0.57400  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    53    49   0.14700  1.0 1.0
   29    33    53    49  -1.16150 -1.0 2.0
   29    33    53    49   0.48700  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    42   0.30150 -1.0 2.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.56750  1.0 1.0
   33    37    43    45  -0.07550 -1.0 2.0
   33    37    43    45   0.20000  1.0 3.0
   33    37    43    47   0.86500  1.0 1.0
   33    37    43    47  -0.17500 -1.0 2.0
   33    37    43    47   0.20800  1.0 3.0
   37    33    53    49   0.06250  1.0 1.0
   37    33    53    49  -0.01100 -1.0 2.0
   37    33    53    49   0.28050  1.0 3.0
   37    33    40    41   0.41150 -1.0 2.0
   37    33    40    42   0.41150 -1.0 2.0
   37    43    45    46   0.15000  1.0 3.0
   37    43   -45    49   0.56750  1.0 1.0
   37    43   -45    49  -0.07550 -1.0 2.0
   37    43   -45    49   0.20000  1.0 3.0
   37    43    45    51  -0.27100  1.0 1.0
   37    43    45    51  -0.01700 -1.0 2.0
   37    43    45    51  -0.48600  1.0 3.0
   37    43    47    48  -0.11600  1.0 1.0
   37    43    47    48  -0.09450 -1.0 2.0
   37    43    47    48   0.21250  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    47   0.23400  1.0 3.0
   39    37    43    44   0.15000  1.0 3.0
   39    37    43    45   0.15000  1.0 3.0
   39    37    43    47   0.23400  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    53   0.62750  1.0 1.0
   43    45    49    53  -0.30950 -1.0 2.0
   43    45    49    53   0.27300  1.0 3.0
   43    45    49    54   0.56750  1.0 1.0
   43    45    49    54  -0.07550 -1.0 2.0
   43    45    49    54   0.20000  1.0 3.0
   43    45    51    52   0.00000  1.0 1.0
   43    45    51    56  -0.43950  1.0 1.0
   43    45    51    56  -0.08100 -1.0 2.0
   43    45    51    56   0.03350  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    51   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48  -0.11600  1.0 1.0
   45    43    47    48  -0.09450 -1.0 2.0
   45    43    47    48   0.21250  1.0 3.0
   45    49   -53    33   0.06250  1.0 1.0
   45    49   -53    33  -0.01100 -1.0 2.0
   45    49   -53    33   0.28050  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    58   0.56750  1.0 1.0
   45    49    54    58  -0.07550 -1.0 2.0
   45    49    54    58   0.20000  1.0 3.0
   45    49    54    60   0.86500  1.0 1.0
   45    49    54    60  -0.17500 -1.0 2.0
   45    49    54    60   0.20800  1.0 3.0
   45    51    56    57   3.04450 -1.0 2.0
   45    51    56    62   1.49850  1.0 1.0
   45    51    56    62   1.53950 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.23400  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45    51    52   0.00000  1.0 1.0
   49    45    51    56  -0.43950  1.0 1.0
   49    45    51    56  -0.08100 -1.0 2.0
   49    45    51    56   0.03350  1.0 3.0
   49    54    58    59   0.15000  1.0 3.0
   49    54    58    66   0.56750  1.0 1.0
   49    54    58    66  -0.07550 -1.0 2.0
   49    54    58    66   0.20000  1.0 3.0
   49    54    58    69   0.86500  1.0 1.0
   49    54    58    69  -0.17500 -1.0 2.0
   49    54    58    69   0.20800  1.0 3.0
   49    54    60    61  -0.11600  1.0 1.0
   49    54    60    61  -0.09450 -1.0 2.0
   49    54    60    61   0.21250  1.0 3.0
   50    49    53    33   0.37050  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.15000  1.0 3.0
   50    49    54    60   0.23400  1.0 3.0
   53    33    37    38   0.23400  1.0 3.0
   53    33    37    39   0.23400  1.0 3.0
   53    33   -37    43   0.62750  1.0 1.0
   53    33   -37    43  -0.30950 -1.0 2.0
   53    33   -37    43   0.27300  1.0 3.0
   53    33    40    41   0.30150 -1.0 2.0
   53    33    40    42   0.30150 -1.0 2.0
   53    49    54    55   0.23400  1.0 3.0
   53    49    54    58   0.62750  1.0 1.0
   53    49    54    58  -0.30950 -1.0 2.0
   53    49    54    58   0.27300  1.0 3.0
   53    49    54    60   3.69350  1.0 1.0
   53    49    54    60  -1.82950 -1.0 2.0
   54    49    53    33   0.06250  1.0 1.0
   54    49    53    33  -0.01100 -1.0 2.0
   54    49    53    33   0.28050  1.0 3.0
   54    58    66    67   0.15000  1.0 3.0
   54    58    66    68   0.15000  1.0 3.0
   54    58    66    71   0.86500  1.0 1.0
   54    58    66    71  -0.17500 -1.0 2.0
   54    58    66    71   0.20800  1.0 3.0
   54    58    69    70  -0.11600  1.0 1.0
   54    58    69    70  -0.09450 -1.0 2.0
   54    58    69    70   0.21250  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    66   0.15000  1.0 3.0
   55    54    58    69   0.23400  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   58    54    60    61  -0.11600  1.0 1.0
   58    54    60    61  -0.09450 -1.0 2.0
   58    54    60    61   0.21250  1.0 3.0
   58    66    71    72  -0.11600  1.0 1.0
   58    66    71    72  -0.09450 -1.0 2.0
   58    66    71    72   0.21250  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    71   0.23400  1.0 3.0
   59    58    69    70   0.19450  1.0 3.0
   66    58    69    70  -0.11600  1.0 1.0
   66    58    69    70  -0.09450 -1.0 2.0
   66    58    69    70   0.21250  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
   69    58    66    67   0.23400  1.0 3.0
   69    58    66    68   0.23400  1.0 3.0
   69    58    66    71   3.75450  1.0 1.0
   60    54    58    59   0.23400  1.0 3.0
   60    54    58    66   0.86500  1.0 1.0
   60    54    58    66  -0.17500 -1.0 2.0
   60    54    58    66   0.20800  1.0 3.0
   60    54    58    69   3.75450  1.0 1.0
   51    45    49    50   0.15000  1.0 3.0
   51    45    49    53   1.12100  1.0 1.0
   51    45    49    53  -0.16500 -1.0 2.0
   51    45    49    54   0.43900  1.0 1.0
   51    45    49    54   0.49100 -1.0 2.0
   51    45    49    54   0.28400  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   51    56    62    65   0.00000  1.0 1.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    62   2.45000 -1.0 2.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   57    56    62    65   0.00000  1.0 1.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    49   0.86500  1.0 1.0
   47    43    45    49  -0.17500 -1.0 2.0
   47    43    45    49   0.20800  1.0 3.0
   47    43    45    51   2.76900  1.0 1.0
   47    43    45    51  -0.24350 -1.0 2.0
   47    43    45    51  -0.78250  1.0 3.0
   40    33    37    38  -0.11250  1.0 3.0
   40    33    37    39  -0.11250  1.0 3.0
   40    33    37    43  -1.63150  1.0 1.0
   40    33    37    43  -0.43550 -1.0 2.0
   40    33    37    43   0.24500  1.0 3.0
   40    33    53    49  -1.11000  1.0 1.0
   40    33    53    49   0.50250 -1.0 2.0
   40    33    53    49   0.47450  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
   35    30    34    36  10.50000 -1.0 2.0
   52    56    51    45   1.00000 -1.0 2.0
   51    62    56    57  10.50000 -1.0 2.0
   41    33    40    42  10.50000 -1.0 2.0
END
