* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    132    194     379
    1     0 S   NP   _N1_     1    29.61939    89.92685   -22.48563
    2     1 S   H    _HN1     2     1.03044   108.63316    17.84305
    3     1 S   H    _H1_     3     1.02859    13.77377   104.01337
    4     1 S   H    _H2_     4     1.02803    94.52592   -93.02243
    5     1 S   CT   _CA1     5     1.50088   121.09055   147.84478
    6     5 S   HC   _HA1     6     1.09582   105.28016    49.85381
    7     5 S   CO3  _C1_     7     1.53897   112.04887   -70.26128
    8     7 S   O2Z  _O11     8     1.26440   115.14940   -56.68830
    9     7 S   O2Z  _O12     9     1.26180   114.90858   122.48936
   10     5 S   CT   _CB1    10     1.53087   107.40190   167.48543
   11    10 S   HC   HB11    11     1.09831   109.60438   -51.45171
   12    10 S   HC   HB12    12     1.09709   110.41435    64.99012
   13    10 S   CT   _CG1    13     1.53027   112.58787  -172.45428
   14    13 S   HC   HG11    14     1.09592   110.65610   -58.31675
   15    13 S   HC   HG12    15     1.09637   109.91639    60.97022
   16    13 S   C    _CD1    16     1.51756   112.04720  -178.27467
   17    16 S   O    _OE1    17     1.22763   123.11357     3.08712
   18    16 S   N    _N2_    18     1.38685   111.80602  -177.63752
   19    18 S   H    _HN2    19     1.01590   119.20331     2.20434
   20    18 S   CT1  _CA2    20     1.46086   123.05238  -179.12598
   21    20 S   HC   _HA2    21     1.09546   108.97972    -6.40022
   22    20 S   C    _C2_    22     1.53437   109.11903  -121.34953
   23    22 S   O    _O2_    23     1.23056   122.15996  -151.29757
   24    20 S   CT   _CB2    32     1.53600   112.07087   115.84762
   25    24 S   HC   HB21    33     1.09661   109.42359    67.79688
   26    24 S   HC   HB22    34     1.09578   110.79868  -175.05831
   27    22 S   N    _N3_    24     1.38303   113.67547    36.21778
   28    27 S   H    _HN3    25     1.01625   119.49192    -3.63313
   29    24 S   S    _SG2    35     1.82914   114.93421   -51.56760
   30    27 S   CT   _CA3    26     1.45287   123.16729   176.94905
   31    30 S   HC   HA31    27     1.09551   107.50517   -64.35326
   32    30 S   HC   HA32    28     1.09557   107.97880    52.06757
   33    29 S   CT   _C15    36     1.82432   100.42462   -68.85769
   34    33 S   HC   _H21    37     1.09011   109.72474    32.03784
   35    33 S   HC   _H22    38     1.09449   108.54433   -86.17615
   36    30 S   CO3  _C3_    29     1.52944   114.11135   174.04958
   37    36 S   O2Z  _O31    30     1.26374   116.04554    -1.35711
   38    36 S   O2Z  _O32    31     1.26431   114.41529   178.72068
   39    33 S   CT   _C14    39     1.53270   109.02603   153.28158
   40    39 S   HC   _H19    40     1.09848   109.67870   -58.27666
   41    39 S   HC   _H20    41     1.09744   108.07370    57.51910
   42    39 S   CT   _C11    42     1.54321   113.85219   177.78221
   43    42 S   HC   _H3_    43     1.09563   109.77266   -57.87932
   44    42 S   CT   _C12    44     1.55161   114.56897   177.52804
   45    44 S   HC   _H4_    45     1.10104   108.61078   168.32828
   46    44 S   NT   _N7_    46     1.47978   105.88238   -74.05305
   47    44 S   CT   _C13    69     1.53107   112.11566    50.14838
   48    47 S   HC   _H16    70     1.09518   112.01776   -72.51325
   49    47 S   HC   _H17    71     1.09489   111.16230   167.03766
   50    47 S   HC   _H18    72     1.09541   110.59981    48.25780
   51    46 S   CT   _C10    47     1.47119   106.54658   -51.44774
   52    51 S   HC   _H14    48     1.09414   111.01392   152.08081
   53    51 S   HC   _H15    49     1.09579   112.14253   -85.93235
   54    46 S   CT   _C9_    51     1.46905   114.45937  -175.51498
   55    54 S   HC   _H12    52     1.09825   110.30819    62.57543
   56    54 S   HC   _H13    53     1.09625   110.29263   -54.06124
   57    42 S   S    _S1_    50     1.82251   111.11562    62.77979
   58    54 S   CM   _C7_    54     1.50886   113.01603  -172.77800
   59    58 S   CM   _C6_    55     1.34154   123.05248  -121.52532
   60    59 S   HC   _H9_    56     1.08360   123.31921     0.37325
   61    59 S   NE   _N4_    57     1.36305   122.36314   179.80021
   62    61 S   H    _H8_    58     1.01435   117.99164  -179.53522
   63    61 S   CDX  _C5_    59     1.37265   119.87974    -0.52039
   64    63 S   NI   _N5_    60     1.30382   123.68098     0.44279
   65    63 S   CT   _C4_    65     1.50547   117.86687  -178.08000
   66    65 S   HC   _H5_    66     1.09348   110.13588   -38.47027
   67    65 S   HC   _H6_    67     1.09360   108.98228    81.20566
   68    65 S   HC   _H7_    68     1.09353   110.43889  -158.97057
   69    58 S   CG   _C8_    61     1.50660   121.49171    59.54659
   70    69 S   NIP  _N6_    62     1.28280   122.04016     1.82628
   71    70 S   H    _H10    63     1.01957   122.60121    -1.40806
   72    70 S   H    _H11    64     1.02438   120.39312  -179.05747
  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   7   5   4   3
   9   5   4   2   1   1  10   5   4  13   6  14   8  14   6   2
   1   1   7   3   2  10   4   3   1  10   8   4   8   3   7   8
   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    57  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    51    57    47  
   41    42    43    44    57  
   42    43    44    57  
   43    44    45    46    51    52    53    57    54    47    48    49    50  
   44    45    46    51    57    47  
   45    46    51    52    53    57    54    55    56    58    47    48    49    50  
   46    51    57    54    47    48    49    50  
   51    52    53    57    54    55    56    58    59    69    47    48    49    50  
   48    49    50    51    54    57  
   49    50  
   50  
    0  
   52    53    57    54    55    56    58  
   53    57    54  
   57    54  
   55    56    58    59    60    61    64    69    70    57  
   56    58    59    69  
   58    59    69  
    0  
   59    60    61    62    63    64    69    70    71    72  
   60    61    62    63    64    69    70    65  
   61    62    63    69  
   62    63    64    69    65    66    67    68  
   63    64    65  
   64    69    70    65    66    67    68  
   69    70    71    72    65    66    67    68  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.257500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.659000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.2500   0.1700  -0.496500   2.2900   2.0360   0.003973653   1.685851020
   71   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.480000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    57   222.000  1.810
   44    45   340.000  1.090
   44    46   382.000  1.448
   44    47   268.000  1.529
   46    51   382.000  1.448
   46    54   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   317.000  1.510
   58    59   549.000  1.340
   58    69   400.000  1.403
   59    60   340.000  1.080
   59    61   425.000  1.378
   61    62   434.000  1.010
   61    63   445.000  1.380
   63    64   650.000  1.285
   63    65   260.000  1.508
   64    69   440.000  1.338
   69    70   635.000  1.286
   70    71   490.000  1.015
   70    72   490.000  1.015
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    58.35000  112.70000
   39    42    57    75.00000  111.63000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    44    45    37.50000  110.70000
   42    44    46    56.20000  109.47000
   42    44    47    58.35000  112.70000
   42    57    51    62.00000   98.90000
   44    42    43    37.50000  110.70000
   44    46    51    51.80000  107.20000
   44    46    54    51.80000  107.20000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    57    85.00000  109.00000
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   46    54    58    75.00000  110.70900
   53    51    52    33.00000  107.80000
   57    42    43    35.00000  109.50000
   57    42    44    75.00000  111.63000
   57    51    52    35.00000  109.50000
   57    51    53    35.00000  109.50000
   54    46    51    51.80000  107.20000
   54    58    59    70.00000  124.00000
   54    58    69    65.00000  117.22000
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   58    59    60    35.00000  120.00000
   58    59    61    70.00000  124.03900
   58    69    64    75.00000  109.42000
   58    69    70    65.00000  126.03000
   59    61    62    35.00000  114.50000
   59    61    63    75.00000  119.57500
   61    59    60    50.00000  112.30800
   61    63    64    75.00000  124.36500
   61    63    65    75.00000  111.50700
   63    61    62    35.00000  119.50000
   63    64    69    70.00000  113.10000
   63    65    66    45.00000  109.58200
   63    65    67    45.00000  109.58200
   63    65    68    45.00000  109.58200
   64    69    70    85.00000  118.94000
   69    58    59    65.00000  121.68800
   69    70    71    45.00000  118.89500
   69    70    72    45.00000  118.89500
   72    70    71    30.00000  117.83200
   65    63    64    70.00000  118.34500
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    56.20000  109.47000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.56750  1.0 1.0
   33    39    42    44  -0.07550 -1.0 2.0
   33    39    42    44   0.20000  1.0 3.0
   33    39    42    57   0.44750  1.0 1.0
   33    39    42    57  -0.17800 -1.0 2.0
   33    39    42    57   0.20200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    44    45   0.15000  1.0 3.0
   39    42    44    46   1.53400  1.0 1.0
   39    42    44    46  -0.09950 -1.0 2.0
   39    42    44    46   0.05700  1.0 3.0
   39    42    44    47   0.56750  1.0 1.0
   39    42    44    47  -0.07550 -1.0 2.0
   39    42    44    47   0.20000  1.0 3.0
   39    42    57    51   0.01700  1.0 1.0
   39    42    57    51  -0.23550 -1.0 2.0
   39    42    57    51   0.21350  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    57   0.15000  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    57   0.15000  1.0 3.0
   42    44   -46    51   0.23450  1.0 1.0
   42    44   -46    51   0.02050 -1.0 2.0
   42    44   -46    51   0.25250  1.0 3.0
   42    44    46    54   0.58650  1.0 1.0
   42    44    46    54   0.12600 -1.0 2.0
   42    44    46    54   0.33350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    46   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    57    51   0.32350  1.0 3.0
   44    42   -57    51   0.01700  1.0 1.0
   44    42   -57    51  -0.23550 -1.0 2.0
   44    42   -57    51   0.21350  1.0 3.0
   44    46    51    52   0.28000  1.0 3.0
   44    46    51    53   0.28000  1.0 3.0
   44    46   -51    57   0.23200  1.0 1.0
   44    46   -51    57   0.02100 -1.0 2.0
   44    46   -51    57   0.24950  1.0 3.0
   44    46    54    55   0.28000  1.0 3.0
   44    46    54    56   0.28000  1.0 3.0
   44    46    54    58  -0.60800  1.0 1.0
   44    46    54    58   1.10050 -1.0 2.0
   44    46    54    58   0.47000  1.0 3.0
   45    44    46    51   0.28000  1.0 3.0
   45    44    46    54   0.28000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   46    51   -57    42   0.01700  1.0 1.0
   46    51   -57    42  -0.23550 -1.0 2.0
   46    51   -57    42   0.21350  1.0 3.0
   46    54    58    59   0.90200  1.0 1.0
   46    54    58    59   0.57900 -1.0 2.0
   46    54    58    59  -0.62100  1.0 3.0
   46    54    58    69   0.90200  1.0 1.0
   46    54    58    69   0.57900 -1.0 2.0
   46    54    58    69  -0.62100  1.0 3.0
   51    46    54    55   0.28000  1.0 3.0
   51    46    54    56   0.28000  1.0 3.0
   51    46    54    58  -0.60800  1.0 1.0
   51    46    54    58   1.10050 -1.0 2.0
   51    46    54    58   0.47000  1.0 3.0
   52    51    57    42   0.32350  1.0 3.0
   53    51    57    42   0.32350  1.0 3.0
   57    42    44    45   0.15000  1.0 3.0
   57    42   -44    46   0.56750  1.0 1.0
   57    42   -44    46  -0.07550 -1.0 2.0
   57    42   -44    46   0.20000  1.0 3.0
   57    42    44    47   0.44750  1.0 1.0
   57    42    44    47  -0.17800 -1.0 2.0
   57    42    44    47   0.20200  1.0 3.0
   54    46    51    52   0.28000  1.0 3.0
   54    46    51    53   0.28000  1.0 3.0
   54    46    51    57   0.23200  1.0 1.0
   54    46    51    57   0.02100 -1.0 2.0
   54    46    51    57   0.24950  1.0 3.0
   54    58    59    60   7.00000 -1.0 2.0
   54    58    59    61   7.00000 -1.0 2.0
   54    58    69    64   7.00000 -1.0 2.0
   54    58    69    70   7.00000 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    69   0.00000  1.0 1.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    69   0.00000  1.0 1.0
   58    59    61    62   1.00000 -1.0 2.0
   58    59    61    63  -0.54500  1.0 1.0
   58    59    61    63   1.14150 -1.0 2.0
   58    69    70    71   2.00000 -1.0 2.0
   58    69    70    72   2.00000 -1.0 2.0
   59    58    69    64   1.09650  1.0 1.0
   59    58    69    64   0.48950 -1.0 2.0
   59    58    69    64   0.49400  1.0 3.0
   59    58    69    70   1.09700  1.0 1.0
   59    58    69    70   0.56350 -1.0 2.0
   59    58    69    70   0.49350  1.0 3.0
   59    61   -63    64   1.00000 -1.0 2.0
   59    61    63    65   1.00000 -1.0 2.0
   60    59    61    62   1.00000 -1.0 2.0
   60    59    61    63   0.00000  1.0 1.0
   61    63    64    69   6.00000 -1.0 2.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68   0.00000  1.0 1.0
   62    61    63    64   1.50000 -1.0 2.0
   62    61    63    65   2.40850 -1.0 2.0
   63    64   -69    58   6.00000 -1.0 2.0
   63    64    69    70   6.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   64    69    70    71   2.00000 -1.0 2.0
   64    69    70    72   2.00000 -1.0 2.0
   69    58    59    60   7.00000 -1.0 2.0
   69    58   -59    61   7.00000 -1.0 2.0
   65    63    64    69   6.00000 -1.0 2.0
   47    44    46    51   0.23450  1.0 1.0
   47    44    46    51   0.02050 -1.0 2.0
   47    44    46    51   0.25250  1.0 3.0
   47    44    46    54   0.23450  1.0 1.0
   47    44    46    54   0.02050 -1.0 2.0
   47    44    46    54   0.25250  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
   37    30    36    38  10.50000 -1.0 2.0
   54    69    58    59   1.10000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   62    63    61    59   1.00000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   64    58    69    70  10.50000 -1.0 2.0
   71    72    70    69   1.00000 -1.0 2.0
END
