* LIGAND DATABASE FILE (OPLS2005)
*
001      75    79    147    241     432
    1     0 S   NP   _N1_     1    28.74310    95.79928   -20.80005
    2     1 S   H    _HN1     2     1.02958    84.37136    18.36146
    3     1 S   H    _H1_     3     1.02847    38.28820   145.26192
    4     1 S   H    _H2_     4     1.02792    86.80971   -90.34690
    5     1 S   CT   _CA1     5     1.50058   148.98697   139.72437
    6     5 S   HC   _HA1     6     1.09561   105.32586    62.95885
    7     5 S   CO3  _C1_     7     1.53762   112.42747   -57.55099
    8     7 S   O2Z  _O11     8     1.26377   115.11946   -44.76304
    9     7 S   O2Z  _O12     9     1.26240   115.07470   135.06778
   10     5 S   CT   _CB1    10     1.53146   107.49751  -178.88900
   11    10 S   HC   HB11    11     1.09823   109.57925   -49.44184
   12    10 S   HC   HB12    12     1.09824   110.30634    67.16035
   13    10 S   CT   _CG1    13     1.53030   112.62275  -170.46277
   14    13 S   HC   HG11    14     1.09575   110.52686   -60.23606
   15    13 S   HC   HG12    15     1.09639   109.97380    58.98978
   16    13 S   C    _CD1    16     1.51796   112.31755   179.60042
   17    16 S   O    _OE1    17     1.22703   123.24501    -1.63841
   18    16 S   N    _N2_    18     1.38619   111.59756   178.05620
   19    18 S   H    _HN2    19     1.01570   119.06113     2.84386
   20    18 S   CT1  _CA2    20     1.46284   123.42985  -178.01397
   21    20 S   HC   _HA2    21     1.09728   109.45507    -7.36591
   22    20 S   C    _C2_    22     1.53405   108.29089  -123.11817
   23    22 S   O    _O2_    23     1.23008   122.26814  -144.34904
   24    20 S   CT   _CB2    32     1.53435   111.29275   114.61297
   25    24 S   HC   HB21    33     1.09587   109.69216    56.19299
   26    24 S   HC   HB22    34     1.09474   110.34974   175.21541
   27    22 S   N    _N3_    24     1.38517   113.37703    42.85421
   28    27 S   H    _HN3    25     1.01512   118.96403    -0.36369
   29    24 S   S    _SG2    35     1.82877   111.48012   -64.69043
   30    27 S   CT   _CA3    26     1.45459   123.45884   175.24025
   31    30 S   HC   HA31    27     1.09520   109.29012    23.59303
   32    30 S   HC   HA32    28     1.09497   107.11287   140.60172
   33    29 S   CT   _C20    36     1.85036    99.90219   166.46770
   34    33 S   HC   _H5_    37     1.09711   106.46951   -37.59455
   35    30 S   CO3  _C3_    29     1.52918   113.05465   -99.92061
   36    35 S   O2Z  _O31    30     1.26406   115.37140   -45.30252
   37    35 S   O2Z  _O32    31     1.26350   115.00411   135.61563
   38    33 S   CM   _C19    38     1.51264   106.70815    77.57206
   39    38 S   HC   _H18    39     1.08886   116.82404   -77.38835
   40    38 S   CMA  _C18    40     1.34902   124.23371   102.58041
   41    40 S   OM   _O33    41     1.25915   130.84525  -179.25849
   42    40 S   CM   _C17    42     1.46089   117.75570    -0.06853
   43    42 S   HC   _H17    43     1.08891   119.24786  -167.72607
   44    42 S   CM   _C16    44     1.34324   122.53072    14.41563
   45    44 S   HC   _H16    45     1.08672   118.43854   177.16828
   46    33 S   CT   _C15    46     1.57454   113.98972  -157.46769
   47    46 S   CA   _C11    47     1.52641   108.74648   145.11473
   48    46 S   CT   _C14    69     1.58339   115.34708    36.66421
   49    48 S   HC   _H14    70     1.09280   114.27457   -46.60455
   50    48 S   HC   _H15    71     1.10202   109.95503  -164.96115
   51    47 S   CR3  _C12    48     1.39923   110.12672   -99.05533
   52    51 S   CA   _C7_    49     1.39377   124.09031  -173.81230
   53    52 S   CA   _C8_    50     1.39650   117.65502    -4.60207
   54    53 S   HA   _H13    51     1.08487   121.27849   179.28564
   55    52 S   CT   _C6_    59     1.50470   118.72762   168.68269
   56    55 S   HC   _H11    60     1.09607   109.77993   137.15677
   57    55 S   HC   _H12    61     1.09751   107.55580  -106.23323
   58    53 S   CA   _C9_    52     1.39194   118.04215     1.03401
   59    55 S   CT   _C5_    62     1.54113   114.63483    14.26584
   60    59 S   HC   _H9_    63     1.09662   111.26290    77.60227
   61    59 S   HC   _H10    64     1.09513   110.45444  -160.96174
   62    47 S   CA   _C10    53     1.37003   132.96517    82.09601
   63    59 S   NP   _N4_    65     1.52778   111.17941   -41.45711
   64    63 S   H    _H3_    66     1.02927   107.48049   -55.35573
   65    62 S   OS   _O34    54     1.35598   127.63682    -2.45766
   66    51 S   CT   _C13    67     1.49073   111.54854     3.21808
   67    66 S   HC   _H4_    68     1.09738   110.67827    91.13934
   68    63 S   CT   _C4_    72     1.50150   111.60987  -172.68241
   69    68 S   HC   _H6_    73     1.09254   108.44812   -63.69608
   70    68 S   HC   _H7_    74     1.09298   108.01663    56.80572
   71    68 S   HC   _H8_    75     1.09245   108.29689   175.62803
   72    65 S   CO   _C21    55     1.43991   101.32587   179.76761
   73    72 S   HC   _H19    56     1.09598   108.67646  -122.02595
   74    72 S   HC   _H20    57     1.09612   108.72610   119.81363
   75    58 S   OS   _O35    58     1.36391   124.94066   179.66780
  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
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  11
   5   4  15  14  11   4  10   5   4   6  10   5   4   6   7   6
   4   5   1   3   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    66    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    66    48    49    50  
   46    47    48  
   47    51    52    58    62    65    63    66    67    48    49    50  
   51    52    53    58    62    65    72    75    55    63    66    67    48    49    50  
   49    50    68    51    52    59    62    63    64    66    67  
   50    51    63    66    67  
   51    63    66    67  
   52    53    54    58    62    65    55    56    57    59    63    64    66    67    68  
   53    54    58    62    75    55    56    57    59    60    61    63    66    67  
   54    58    62    65    72    75    55    56    57    59    66  
   58    62    75    55  
   56    57    59    60    61    63    64    66    68    58  
   57    59    60    61    63  
   59    60    61    63  
   62    65    72    73    74    75  
   60    61    63    64    66    67    68    69    70    71  
   61    63    64    66    68  
   63    64    66    68  
   65    72    73    74    75    66  
   64    66    67    68    69    70    71  
   66    67    68    69    70    71  
   72    73    74    75  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75  
   74    75  
   75  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    66   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    75   450.000  1.364
   62    65   450.000  1.364
   65    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   367.000  1.471
   63    64   434.000  1.010
   63    66   367.000  1.471
   63    68   367.000  1.471
   66    67   340.000  1.090
   66    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    66    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    66    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    65    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    66    63    75.00000  110.83300
   51    66    67    35.00000  109.50000
   51    66    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    75    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    65    70.00000  120.00000
   58    75    72   100.00000  112.36700
   62    47    51    70.00000  112.88000
   62    65    72   100.00000  112.36700
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    92.60000  111.55000
   74    72    73    33.00000  109.50000
   75    58    62    70.00000  120.00000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    80.00000  111.20000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    35.00000  109.50000
   59    63    66    75.00000  113.01200
   59    63    68    75.00000  113.01200
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    48    80.00000  111.20000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    51    52    70.00000  120.00000
   66    63    64    35.00000  109.50000
   66    48    49    37.50000  110.70000
   66    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    66    67    37.50000  110.70000
   50    48    49    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    66    75.00000  113.01200
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    66   0.56750  1.0 1.0
   33    46    48    66  -0.07550 -1.0 2.0
   33    46    48    66   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    66   0.34400  1.0 1.0
   44    46    48    66   0.09450 -1.0 2.0
   44    46    48    66   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    66   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    65   3.62500 -1.0 2.0
   47    46   -48    66  -0.03700  1.0 1.0
   47    46   -48    66   0.37200 -1.0 2.0
   47    46   -48    66  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    66    63  -0.46400 -1.0 2.0
   47    51    66    67   0.00000  1.0 1.0
   47    51   -66    48   0.04150 -1.0 2.0
   47    62    65    72   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    65   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    66   -48    46  -0.03700  1.0 1.0
   51    66   -48    46   0.37200 -1.0 2.0
   51    66   -48    46  -0.47300  1.0 3.0
   51    66    48    49   0.43200  1.0 3.0
   51    66    48    50   0.43200  1.0 3.0
   52    51    66    63  -0.46400 -1.0 2.0
   52    51    66    67   0.00000  1.0 1.0
   52    51    66    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    75   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    63   1.24050  1.0 1.0
   52    55   -59    63   0.48100 -1.0 2.0
   52    55   -59    63   1.08150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    65   3.62500 -1.0 2.0
   53    58    75    72   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    75   3.62500 -1.0 2.0
   58    62   -65    72   1.63200 -1.0 2.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    66   3.62500 -1.0 2.0
   62    58   -75    72   1.63200 -1.0 2.0
   62    65    72    73   0.08050  1.0 3.0
   62    65    72    74   0.08050  1.0 3.0
   62    65   -72    75  -0.25600  1.0 1.0
   62    65   -72    75  -0.40050 -1.0 2.0
   62    65   -72    75   0.34700  1.0 3.0
   65    72   -75    58  -0.25600  1.0 1.0
   65    72   -75    58  -0.40050 -1.0 2.0
   65    72   -75    58   0.34700  1.0 3.0
   73    72    75    58   0.08050  1.0 3.0
   74    72    75    58   0.08050  1.0 3.0
   75    58    62    47   3.62500 -1.0 2.0
   75    58   -62    65   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    63    64   0.17350  1.0 3.0
   55    59    63    66   0.47100  1.0 1.0
   55    59    63    68   0.47100  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.19200  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.19200  1.0 3.0
   59    63   -66    51   0.03550  1.0 1.0
   59    63   -66    51   0.09800 -1.0 2.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    48   0.47100  1.0 1.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    71   0.15000  1.0 3.0
   60    59    63    64   0.13050  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   61    59    63    64   0.13050  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    59    63    68   0.15000  1.0 3.0
   63    66    48    46   1.36600  1.0 1.0
   63    66    48    46  -0.11450 -1.0 2.0
   63    66    48    46   0.24250  1.0 3.0
   63    66    48    49   0.19200  1.0 3.0
   63    66    48    50   0.19200  1.0 3.0
   64    63    66    51   0.17350  1.0 3.0
   64    63    66    67   0.13050  1.0 3.0
   64    63    66    48   0.17350  1.0 3.0
   64    63    68    69   0.13050  1.0 3.0
   64    63    68    70   0.13050  1.0 3.0
   64    63    68    71   0.13050  1.0 3.0
   66    51    52    53   3.62500 -1.0 2.0
   66    51   -52    55   3.62500 -1.0 2.0
   66    63    68    69   0.15000  1.0 3.0
   66    63    68    70   0.15000  1.0 3.0
   66    63    68    71   0.15000  1.0 3.0
   67    66    48    46   0.15000  1.0 3.0
   67    66    48    49   0.15000  1.0 3.0
   67    66    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   68    63    66    51   0.03550  1.0 1.0
   68    63    66    51   0.09800 -1.0 2.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    48   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    66    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    75    58    53   4.00000 -1.0 2.0
   58    65    62    47   4.00000 -1.0 2.0
END
