* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    138    216     405
    1     0 S   NP   _N1_     1    29.76363    89.58812   -21.83161
    2     1 S   H    _HN1     2     1.02843    21.98017  -115.24631
    3     1 S   H    _H1_     3     1.02773   114.41908   -38.26688
    4     1 S   H    _H2_     4     1.02958    85.12353    69.68662
    5     1 S   CT   _CA1     5     1.50101   122.10816  -179.20919
    6     5 S   HC   _HA1     6     1.09574   105.24721    80.24491
    7     5 S   CO3  _C1_     7     1.53792   112.33092   -39.99723
    8     7 S   O2Z  _O11     8     1.26359   114.98749   -45.22544
    9     7 S   O2Z  _O12     9     1.26231   114.91355   134.00448
   10     5 S   CT   _CB1    10     1.53128   107.47693  -161.83135
   11    10 S   HC   HB11    11     1.09826   109.38638   -50.85191
   12    10 S   HC   HB12    12     1.09817   110.42053    65.72070
   13    10 S   CT   _CG1    13     1.53020   112.61946  -171.92819
   14    13 S   HC   HG11    14     1.09594   110.47111   -63.28864
   15    13 S   HC   HG12    15     1.09653   109.94689    55.91459
   16    13 S   C    _CD1    16     1.51807   112.35718   176.32592
   17    16 S   O    _OE1    17     1.22753   123.30167    -0.86048
   18    16 S   N    _N2_    18     1.38696   111.64742   179.23383
   19    18 S   H    _HN2    19     1.01612   119.04690     1.17253
   20    18 S   CT1  _CA2    20     1.46027   123.28666   179.79252
   21    20 S   HC   _HA2    21     1.09535   108.81954    -7.38209
   22    20 S   C    _C2_    22     1.53393   109.34150  -121.66542
   23    22 S   O    _O2_    23     1.22997   122.12511  -148.39544
   24    20 S   CT   _CB2    32     1.53503   111.70780   113.94456
   25    24 S   HC   HB21    33     1.09569   110.64301    50.39490
   26    24 S   HC   HB22    34     1.09209   110.10652   168.70610
   27    22 S   N    _N3_    24     1.38546   113.31786    40.08626
   28    27 S   H    _HN3    25     1.01508   118.92095    -3.65538
   29    24 S   S    _SG2    35     1.83550   110.72317   -69.26772
   30    27 S   CT   _CA3    26     1.45508   123.63997   172.65629
   31    30 S   HC   HA31    27     1.09499   109.53139    20.90596
   32    30 S   HC   HA32    28     1.09494   107.16975   138.04271
   33    29 S   CT   _C18    36     1.86653   101.60617  -136.40672
   34    33 S   Cl   Cl1_    37     1.82078   109.26600   176.81052
   35    30 S   CO3  _C3_    29     1.52810   112.43840  -102.55427
   36    35 S   O2Z  _O31    30     1.26529   115.33190   -53.44984
   37    35 S   O2Z  _O32    31     1.26241   115.49413   126.42973
   38    33 S   CM   _C13    38     1.56910   111.05583    59.00209
   39    38 S   CM   _C11    39     1.36396   125.92591    45.54360
   40    38 S   CM   _C14    68     1.47856   113.80438  -129.87492
   41    40 S   HC   _H18    69     1.08398   118.88121  -175.91898
   42    39 S   CD   _C10    40     1.48518   122.59442  -169.31546
   43    42 S   HC   _H15    41     1.09762   119.04033   -34.38307
   44    40 S   CM   _C15    70     1.34078   124.80405     4.64127
   45    44 S   Cl   Cl3_    71     1.72951   120.31966   179.51021
   46    42 S   NI   _N6_    42     1.29267   122.11193   147.52892
   47    44 S   CM   _C16    72     1.43351   122.27426    -0.16193
   48    47 S   HC   _H19    73     1.08616   118.47198   178.63527
   49    46 S   CDX  _C9_    43     1.38801   118.07061    -3.37684
   50    33 S   CM   _C17    74     1.52973   108.29911   -68.65793
   51    50 S   Cl   Cl2_    75     1.74260   118.90829   -53.16208
   52    49 S   NI   _N7_    44     1.31200   120.98960    21.78208
   53    49 S   NE   _N5_    49     1.40314   118.70101  -157.79415
   54    39 S   CG   _C12    45     1.48902   128.36517     3.77014
   55    53 S   CT   _C6_    50     1.47231   120.16824   172.42946
   56    55 S   HC   _H9_    51     1.09584   110.86613    33.33757
   57    55 S   HC   _H10    52     1.09601   108.87763   -84.26938
   58    54 S   NIP  _N8_    46     1.27909   125.76598    49.26791
   59    58 S   H    _H16    47     1.01996   122.21427    -1.01143
   60    58 S   H    _H17    48     1.01978   120.32936   179.57067
   61    55 S   CT   _C5_    53     1.52265   112.05116   153.29620
   62    61 S   HC   _H7_    54     1.09495   110.60604   172.40588
   63    61 S   HC   _H8_    55     1.09600   111.77610   -65.24641
   64    61 S   NP   _N4_    56     1.50464   109.48697    53.86569
   65    64 S   H    _H6_    57     1.03569   107.32180    57.29120
   66    64 S   CT   _C8_    58     1.50504   110.55088   -59.92596
   67    66 S   HC   _H13    59     1.09605   107.49858   -62.28450
   68    66 S   HC   _H14    60     1.09497   107.69221   179.81977
   69    64 S   CT   _C4_    64     1.49983   112.36084   173.77209
   70    69 S   HC   _H3_    65     1.09324   108.70210    62.71308
   71    69 S   HC   _H4_    66     1.09312   108.06025  -176.70069
   72    69 S   HC   _H5_    67     1.09312   108.06497   -57.85945
   73    53 S   CT   _C7_    61     1.47214   120.32349    16.24023
   74    73 S   HC   _H11    62     1.09571   108.63796    83.67278
   75    73 S   HC   _H12    63     1.09549   111.10172   -33.73876
  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   8   5   4   3
  12   6   2   1   1  14  13   8   3   7   3   5   3   6   3   2
  12   1   1   7  14   3  12   6   5   2   1   1  12   5   4  11
   8   9   5   4   4   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    54    40    41    44    47    48    50    51  
   38    39    40    47    50    51  
   36    37  
   37  
    0  
   39    42    43    46    52    54    58    40    41    44    45    47    50    51  
   42    43    46    49    52    54    58    59    60    40    41    44    50  
   41    44    45    47    48    50    42    54  
   44    45    47  
   43    46    49    52    54    58    53  
   46    49    54  
   45    47    48    50    51  
   47    48    50  
   49    52    54    53    55    73  
   48    50    51  
   50    51  
   52    54    58    53    55    56    57    61    66    73    74    75  
   51  
    0  
   54    58    59    60    53    55    73  
   55    56    57    61    62    63    64    66    67    68    73    74    75    54  
   58    59    60  
   56    57    61    62    63    64    65    66    73    74    75    69  
   57    61    62    63    64    73  
   61    62    63    64    73  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    73    69    70    71    72  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    73    74    75    69    70    71    72  
   66    67    68    73    69    70    71    72  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    69  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   52   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   53   3.2500   0.1700  -0.220000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.7500   0.1050   0.659000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.496500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
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   245.000  1.781
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   320.000  1.464
   39    54   400.000  1.403
   42    43   370.000  1.093
   42    46   500.000  1.261
   46    49   630.000  1.388
   49    52   650.000  1.285
   49    53   445.000  1.380
   52    54   440.000  1.338
   54    58   635.000  1.286
   58    59   490.000  1.015
   58    60   490.000  1.015
   53    55   382.000  1.448
   53    73   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   367.000  1.471
   64    65   434.000  1.010
   64    66   367.000  1.471
   64    69   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    47   380.000  1.444
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   300.000  1.725
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    60.00000  120.31500
   38    39    54    65.00000  121.68800
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    40.00000  113.81000
   39    42    46    70.00000  121.86000
   39    54    52    75.00000  109.42000
   39    54    58    65.00000  126.03000
   42    46    49    80.00000  112.72500
   46    42    43    45.00000  120.55300
   46    49    52    75.00000  130.08800
   46    49    53    75.00000  124.36500
   49    52    54    70.00000  113.10000
   49    53    55    50.00000  119.50000
   49    53    73    50.00000  119.50000
   52    54    58    85.00000  118.94000
   54    39    42    60.00000  120.31500
   54    58    59    45.00000  118.89500
   54    58    60    45.00000  118.89500
   60    58    59    30.00000  117.83200
   53    49    52    75.00000  124.36500
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    61    80.00000  111.61500
   53    73    66    80.00000  111.61500
   53    73    74    35.00000  109.50000
   53    73    75    35.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    80.00000  111.20000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    35.00000  109.50000
   61    64    66    75.00000  113.01200
   61    64    69    75.00000  113.01200
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    73    80.00000  111.20000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   66    64    65    35.00000  109.50000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   68    66    67    33.00000  107.80000
   73    53    55    50.00000  115.00000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   75    73    74    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    75.00000  113.01200
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    47    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    50    70.00000  123.01800
   47    44    45    75.00000  121.50000
   47    50    51    75.00000  121.50000
   50    33    34    75.00000  111.90500
   50    33    38    70.00000  110.12100
   50    47    48    35.00000  120.00000
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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    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    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    54   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    50    47   0.09700  1.0 1.0
   34    33    50    47   0.15600 -1.0 2.0
   34    33    50    47  -0.50800  1.0 3.0
   34    33    50    51   0.09700  1.0 1.0
   34    33    50    51   0.15600 -1.0 2.0
   34    33    50    51  -0.50800  1.0 3.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    42    43   1.36050 -1.0 2.0
   38    39    42    46   1.09650  1.0 1.0
   38    39    42    46   0.48950 -1.0 2.0
   38    39    42    46   0.49400  1.0 3.0
   38    39    54    52   1.09650  1.0 1.0
   38    39    54    52   0.48950 -1.0 2.0
   38    39    54    52   0.49400  1.0 3.0
   38    39    54    58   1.09700  1.0 1.0
   38    39    54    58   0.56350 -1.0 2.0
   38    39    54    58   0.49350  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    47   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    49   6.00000 -1.0 2.0
   39    54    58    59   2.00000 -1.0 2.0
   39    54    58    60   2.00000 -1.0 2.0
   42    39    54    52   1.09650  1.0 1.0
   42    39    54    52   0.48950 -1.0 2.0
   42    39    54    52   0.49400  1.0 3.0
   42    39    54    58   1.09700  1.0 1.0
   42    39    54    58   0.56350 -1.0 2.0
   42    39    54    58   0.49350  1.0 3.0
   42    46   -49    52   0.00050  1.0 1.0
   42    46   -49    52   2.00000 -1.0 2.0
   42    46    49    53   0.00050  1.0 1.0
   42    46    49    53   2.00000 -1.0 2.0
   43    42    46    49   4.00000 -1.0 2.0
   46    49    52    54   6.00000 -1.0 2.0
   46    49    53    55  -0.86000  1.0 1.0
   46    49    53    55   0.84650 -1.0 2.0
   46    49    53    73  -0.86000  1.0 1.0
   46    49    53    73   0.84650 -1.0 2.0
   49    52   -54    39   6.00000 -1.0 2.0
   49    52    54    58   6.00000 -1.0 2.0
   49    53    55    56   0.00000  1.0 1.0
   49    53    55    57   0.00000  1.0 1.0
   49    53    55    61   0.38950  1.0 1.0
   49    53    55    61  -0.47050 -1.0 2.0
   49    53    55    61   0.83150  1.0 3.0
   49    53    73    66   0.38950  1.0 1.0
   49    53    73    66  -0.47050 -1.0 2.0
   49    53    73    66   0.83150  1.0 3.0
   49    53    73    74   0.00000  1.0 1.0
   49    53    73    75   0.00000  1.0 1.0
   52    49    53    55  -0.86000  1.0 1.0
   52    49    53    55   0.84650 -1.0 2.0
   52    49    53    73  -0.86000  1.0 1.0
   52    49    53    73   0.84650 -1.0 2.0
   52    54    58    59   2.00000 -1.0 2.0
   52    54    58    60   2.00000 -1.0 2.0
   54    39    42    43   1.36050 -1.0 2.0
   54    39   -42    46   1.09650  1.0 1.0
   54    39   -42    46   0.48950 -1.0 2.0
   54    39   -42    46   0.49400  1.0 3.0
   53    49    52    54   6.00000 -1.0 2.0
   53    55    61    62   0.22950  1.0 3.0
   53    55    61    63   0.22950  1.0 3.0
   53    55    61    64   2.45700  1.0 1.0
   53    55    61    64   1.17300 -1.0 2.0
   55    53    73    66   0.00000  1.0 1.0
   55    53    73    74   0.00000  1.0 1.0
   55    53    73    75   0.00000  1.0 1.0
   55    61    64    65   0.17350  1.0 3.0
   55    61   -64    66   0.47100  1.0 1.0
   55    61    64    69   0.47100  1.0 1.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.19200  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.19200  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    66    73   0.47100  1.0 1.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.15000  1.0 3.0
   61    64    69    72   0.15000  1.0 3.0
   62    61    64    65   0.13050  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    69   0.15000  1.0 3.0
   63    61    64    65   0.13050  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    69   0.15000  1.0 3.0
   64    66   -73    53   2.45700  1.0 1.0
   64    66   -73    53   1.17300 -1.0 2.0
   64    66    73    74   0.19200  1.0 3.0
   64    66    73    75   0.19200  1.0 3.0
   65    64    66    67   0.13050  1.0 3.0
   65    64    66    68   0.13050  1.0 3.0
   65    64    66    73   0.17350  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    72   0.13050  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   67    66    73    53   0.22950  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   68    66    73    53   0.22950  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   73    53    55    56   0.00000  1.0 1.0
   73    53    55    57   0.00000  1.0 1.0
   73    53   -55    61   0.00000  1.0 1.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    73   0.47100  1.0 1.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    54   7.00000 -1.0 2.0
   40    44    47    48  -0.18600  1.0 3.0
   40    44    47    50   0.28850  1.0 1.0
   40    44    47    50   2.61350 -1.0 2.0
   40    44    47    50   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47   -50    33   7.00000 -1.0 2.0
   44    47    50    51   7.00000 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    50  -0.18600  1.0 3.0
   48    47    50    33   7.00000 -1.0 2.0
   48    47    50    51   7.00000 -1.0 2.0
   50    33    38    39  -0.28300  1.0 1.0
   50    33    38    39   0.26700 -1.0 2.0
   50    33    38    39  -0.63300  1.0 3.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  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    40    38    39   1.10000 -1.0 2.0
   42    54    39    38   1.10000 -1.0 2.0
   39    43    42    46  10.50000 -1.0 2.0
   46    53    49    52  10.50000 -1.0 2.0
   52    39    54    58  10.50000 -1.0 2.0
   59    60    58    54   1.00000 -1.0 2.0
   73    49    53    55   1.00000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   44    48    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
END
