* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    28.72275    98.71809   -22.22004
    2     1 S   H    _HN1     2     1.02953    63.79147    43.66365
    3     1 S   H    _H1_     3     1.02832    56.39906   179.70129
    4     1 S   H    _H2_     4     1.02781    88.59816   -67.63260
    5     1 S   CT   _CA1     5     1.50113   158.87227   122.36953
    6     5 S   HC   _HA1     6     1.09574   105.21321   107.80910
    7     5 S   CO3  _C1_     7     1.53776   112.43269   -12.42148
    8     7 S   O2Z  _O11     8     1.26364   114.99946   -43.29322
    9     7 S   O2Z  _O12     9     1.26237   114.93787   135.86407
   10     5 S   CT   _CB1    10     1.53087   107.42740  -134.23985
   11    10 S   HC   HB11    11     1.09829   109.34557   -50.32693
   12    10 S   HC   HB12    12     1.09814   110.44900    66.26184
   13    10 S   CT   _CG1    13     1.52988   112.61684  -171.35314
   14    13 S   HC   HG11    14     1.09588   110.56795   -65.18482
   15    13 S   HC   HG12    15     1.09669   109.84663    54.04111
   16    13 S   C    _CD1    16     1.51800   112.29500   174.44540
   17    16 S   O    _OE1    17     1.22730   123.31343     3.95438
   18    16 S   N    _N2_    18     1.38651   111.62367  -176.02605
   19    18 S   H    _HN2    19     1.01588   118.97308     1.41858
   20    18 S   CT1  _CA2    20     1.46164   123.38675   177.83798
   21    20 S   HC   _HA2    21     1.09742   109.32788     0.69633
   22    20 S   C    _C2_    22     1.53523   108.85973  -114.78586
   23    22 S   O    _O2_    23     1.23062   122.22666  -150.17432
   24    20 S   CT   _CB2    32     1.53268   111.57282   122.62156
   25    24 S   HC   HB21    33     1.09596   110.25436    55.84414
   26    24 S   HC   HB22    34     1.09417   110.14114   174.92765
   27    22 S   N    _N3_    24     1.38308   113.74518    37.33863
   28    27 S   H    _HN3    25     1.01594   119.54816    -3.57807
   29    24 S   S    _SG2    35     1.82706   111.52189   -64.83469
   30    27 S   CT   _CA3    26     1.45281   123.22028   177.07210
   31    30 S   HC   HA31    27     1.09549   107.50663   -64.60318
   32    30 S   HC   HA32    28     1.09556   107.99167    51.83756
   33    29 S   CT   _C14    36     1.85370    99.66070  -175.47524
   34    33 S   HC   _H3_    37     1.09884   103.81841   -11.51432
   35    30 S   CO3  _C3_    29     1.52959   114.07223   173.82105
   36    35 S   O2Z  _O31    30     1.26379   116.05596    -1.11908
   37    35 S   O2Z  _O32    31     1.26433   114.41026   178.94873
   38    33 S   CT   _C13    38     1.56070   115.29709   104.86985
   39    38 S   HC   _H33    39     1.08621   109.37627   122.98544
   40    33 S   CT   _C16    64     1.57427   110.71461  -122.95534
   41    38 S   CT   _C11    40     1.53741   120.52964    -6.13005
   42    41 S   HC   _H31    41     1.09198   113.85289    28.93033
   43    40 S   CT   _C18    65     1.53949   111.46399   175.27051
   44    43 S   HC   _H38    66     1.09637   110.55251   -53.91787
   45    43 S   HC   _H39    67     1.09655   110.70743  -171.12772
   46    43 S   HC   _H40    68     1.09228   113.37113    67.70942
   47    40 S   OH   _O19    69     1.45205   104.93638    62.61175
   48    47 S   HO   _H41    70     0.97249   108.34750   176.85689
   49    41 S   CM   _C4_    42     1.49102    99.99152   -90.46274
   50    41 S   CT   _C7_    49     1.54772   112.97555   152.20866
   51    50 S   HC   _H23    50     1.09835   109.09928   154.50967
   52    50 S   HC   _H24    51     1.09723   110.76423    37.83285
   53    49 S   CO4  _C5_    43     1.47318   109.06222   -24.38624
   54    53 S   O    _O16    44     1.21674   127.30427  -168.96190
   55    49 S   CM   _C6_    46     1.33533   128.35638   152.95579
   56    55 S   HC   _H21    47     1.08494   120.74018     1.41361
   57    55 S   HC   _H22    48     1.08508   121.70500  -178.39063
   58    50 S   CT   _C9_    52     1.53798   113.40101   -86.66910
   59    58 S   HC   _H27    53     1.09711   108.63223  -170.84019
   60    58 S   HC   _H28    54     1.09761   109.16797   -55.82629
   61    38 S   OS   _O17    45     1.45726   107.05555  -124.62524
   62    58 S   C3T  _C15    55     1.50458   113.52165    68.04336
   63    62 S   C3T  _C12    56     1.52716   117.35233   -88.07200
   64    63 S   HC   _H32    57     1.08127   120.34148    -1.84122
   65    62 S   CT   _C17    72     1.50144   116.79861    72.80094
   66    65 S   HC   _H35    73     1.09497   112.22242   162.43837
   67    65 S   HC   _H36    74     1.09515   110.49601    43.08206
   68    65 S   HC   _H37    75     1.09380   110.85504   -76.64322
   69    63 S   CT   _C8_    58     1.49459   122.57336   155.30952
   70    69 S   HC   _H25    59     1.09785   107.43025   106.06299
   71    69 S   HC   _H26    60     1.09286   112.04037    -9.84281
   72    62 S   O3T  _O18    71     1.43354   114.75829  -153.31945
   73    69 S   CT   _C10    61     1.53402   113.86889  -135.30844
   74    73 S   HC   _H29    62     1.10064   105.93094  -161.77170
   75    73 S   HC   _H30    63     1.09674   109.69031   -50.81522
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  16   7  15  15   8   9   4   3   2   5   1
  10  12   5   4   5   2   3   1   1  11   5   4   1  11  12   6
   5   3   2   1   6   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    73    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    53    61    50    69    73    74    75    40    43    44    45    46    47    48  
   38    39    41    61    73    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    53    54    61    55    50    51    52    58    73    40    43    47  
   41    42    49    53    61    50    40  
   43    44    45    46    47    48    41    61    63    69    70    71    73    74    75  
   42    49    53    54    61    55    56    57    50    51    52    58    59    60    62  
   49    53    61    55    50    51    52    58  
   44    45    46    47    48    69    73    74    75  
   45    46    47    73  
   46    47    73  
   47    73  
   48    69    73    74    75  
   73  
   53    54    61    55    56    57    50    51    52    58  
   51    52    58    59    60    62    63    72    65    53    55    61  
   52    58    59    60    62  
   58    59    60    62  
   54    61    55    56    57  
   61    55  
   56    57    61  
   57  
    0  
   59    60    62    63    64    69    72    65    66    67    68  
   60    62    63    72    65  
   62    63    72    65  
    0  
   63    64    69    70    71    73    72    65    66    67    68  
   64    69    70    71    73    74    75    72    65    66    67    68  
   69    70    71    73    72    65  
   66    67    68    69    72  
   67    68    72  
   68    72  
   72  
   70    71    73    74    75    72  
   71    73    74    75    72  
   73    74    75    72  
   73  
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   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   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    53   320.000  1.462
   49    55   549.000  1.340
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.080
   55    57   340.000  1.080
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   275.000  1.510
   62    63   260.000  1.509
   62    72   335.000  1.432
   62    65   275.000  1.510
   63    64   340.000  1.088
   63    69   275.000  1.510
   63    72   335.000  1.432
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    73    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    53    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    53    65.00000  116.34900
   41    49    55    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    58    58.35000  112.70000
   49    41    42    35.00000  109.50000
   49    53    54    80.00000  123.72100
   49    53    61    90.00000  111.29400
   49    55    56    35.00000  120.00000
   49    55    57    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    53    54    83.00000  123.40000
   55    49    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    70.00000  112.37300
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    62    63    60.00000  120.94000
   58    62    72    80.00000  116.47100
   58    62    65    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    45.00000  109.38400
   62    58    60    45.00000  109.38400
   62    63    64    37.50000  117.20000
   62    63    69    60.00000  120.94000
   62    63    72    15.00000   60.43100
   62    72    63    15.00000   59.14900
   62    65    66    45.00000  109.38400
   62    65    67    45.00000  109.38400
   62    65    68    45.00000  109.38400
   63    69    70    45.00000  109.38400
   63    69    71    45.00000  109.38400
   63    69    73    70.00000  112.37300
   69    63    64    40.00000  115.04500
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    40    43    58.35000  112.70000
   73    40    47    50.00000  109.50000
   75    73    74    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   72    62    63    15.00000   60.43100
   72    63    64    50.00000  114.27700
   72    63    69    80.00000  116.47100
   65    62    63    60.00000  120.94000
   65    62    72    80.00000  116.47100
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    53  -0.25900  1.0 1.0
   33    38    61    53  -0.47000 -1.0 2.0
   33    38    61    53   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    53   0.09700  1.0 1.0
   38    41   -49    53   0.15600 -1.0 2.0
   38    41   -49    53  -0.50800  1.0 3.0
   38    41    49    55   0.09850  1.0 1.0
   38    41    49    55   0.15250 -1.0 2.0
   38    41    49    55  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    52   0.15000  1.0 3.0
   38    41    50    58   0.56750  1.0 1.0
   38    41    50    58  -0.07550 -1.0 2.0
   38    41    50    58   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    53   0.08050  1.0 3.0
   41    38   -61    53  -0.25900  1.0 1.0
   41    38   -61    53  -0.47000 -1.0 2.0
   41    38   -61    53   0.11750  1.0 3.0
   41    49    53    54  -0.64400  1.0 1.0
   41    49    53    54   0.26850 -1.0 2.0
   41    49   -53    61  -0.15000  1.0 1.0
   41    49   -53    61   0.89550 -1.0 2.0
   41    49   -53    61  -0.06900  1.0 3.0
   41    49    55    56   7.00000 -1.0 2.0
   41    49    55    57   7.00000 -1.0 2.0
   41    50    58    59   0.15000  1.0 3.0
   41    50    58    60   0.15000  1.0 3.0
   41    50    58    62   0.47050  1.0 1.0
   41    50    58    62   0.03900 -1.0 2.0
   41    50    58    62   0.20100  1.0 3.0
   42    41    49    53   0.15000  1.0 3.0
   42    41    49    55   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    52   0.15000  1.0 3.0
   42    41    50    58   0.15000  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    52   0.15000  1.0 3.0
   49    41    50    58   0.34400  1.0 1.0
   49    41    50    58   0.09450 -1.0 2.0
   49    41    50    58   0.11100  1.0 3.0
   49    53   -61    38   2.00000 -1.0 2.0
   53    49    55    56   7.00000 -1.0 2.0
   53    49    55    57   7.00000 -1.0 2.0
   54    53    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   55    49    53    54   1.00000 -1.0 2.0
   55    49    53    61  -0.56150  1.0 1.0
   55    49    53    61   2.19150 -1.0 2.0
   50    41    49    53   0.09700  1.0 1.0
   50    41    49    53   0.15600 -1.0 2.0
   50    41    49    53  -0.50800  1.0 3.0
   50    41    49    55   0.09850  1.0 1.0
   50    41    49    55   0.15250 -1.0 2.0
   50    41    49    55  -0.50650  1.0 3.0
   50    58    62    63   0.07850  1.0 1.0
   50    58    62    63  -0.03950 -1.0 2.0
   50    58    62    63   0.67350  1.0 3.0
   50    58    62    72   0.02550  1.0 1.0
   50    58    62    72  -0.02600 -1.0 2.0
   50    58    62    72   1.20400  1.0 3.0
   50    58    62    65   0.56750  1.0 1.0
   50    58    62    65  -0.07550 -1.0 2.0
   50    58    62    65   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    62   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    62   0.15000  1.0 3.0
   58    62    63    64   0.15000  1.0 3.0
   58    62    63    69   0.56750  1.0 1.0
   58    62    63    69  -0.07550 -1.0 2.0
   58    62    63    69   0.20000  1.0 3.0
   58    62   -63    72   0.02550  1.0 1.0
   58    62   -63    72  -0.02600 -1.0 2.0
   58    62   -63    72   1.20400  1.0 3.0
   58    62   -72    63   0.06250  1.0 1.0
   58    62   -72    63  -0.01100 -1.0 2.0
   58    62   -72    63   0.28050  1.0 3.0
   58    62    65    66   0.15000  1.0 3.0
   58    62    65    67   0.15000  1.0 3.0
   58    62    65    68   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    72   0.23400  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    72   0.23400  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    71   0.15000  1.0 3.0
   62    63    69    73   0.07850  1.0 1.0
   62    63    69    73  -0.03950 -1.0 2.0
   62    63    69    73   0.67350  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    73    40   0.47050  1.0 1.0
   63    69    73    40   0.03900 -1.0 2.0
   63    69    73    40   0.20100  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   64    63   -72    62   0.36800  1.0 3.0
   69    63   -72    62   0.06250  1.0 1.0
   69    63   -72    62  -0.01100 -1.0 2.0
   69    63   -72    62   0.28050  1.0 3.0
   69    73    40    33   0.56750  1.0 1.0
   69    73    40    33  -0.07550 -1.0 2.0
   69    73    40    33   0.20000  1.0 3.0
   69    73    40    43   0.56750  1.0 1.0
   69    73    40    43  -0.07550 -1.0 2.0
   69    73    40    43   0.20000  1.0 3.0
   69    73    40    47   0.86500  1.0 1.0
   69    73    40    47  -0.17500 -1.0 2.0
   69    73    40    47   0.20800  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    40   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    40   0.15000  1.0 3.0
   73    40    43    44   0.15000  1.0 3.0
   73    40    43    45   0.15000  1.0 3.0
   73    40    43    46   0.15000  1.0 3.0
   73    40    47    48  -0.11600  1.0 1.0
   73    40    47    48  -0.09450 -1.0 2.0
   73    40    47    48   0.21250  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    43   0.15000  1.0 3.0
   74    73    40    47   0.23400  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    43   0.15000  1.0 3.0
   75    73    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   72    62   -63    64   0.23400  1.0 3.0
   72    62   -63    69   0.02550  1.0 1.0
   72    62   -63    69  -0.02600 -1.0 2.0
   72    62   -63    69   1.20400  1.0 3.0
   72    62    65    66   0.23400  1.0 3.0
   72    62    65    67   0.23400  1.0 3.0
   72    62    65    68   0.23400  1.0 3.0
   72    63    69    70   0.23400  1.0 3.0
   72    63    69    71   0.23400  1.0 3.0
   72    63    69    73   0.02550  1.0 1.0
   72    63    69    73  -0.02600 -1.0 2.0
   72    63    69    73   1.20400  1.0 3.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62   -63    72   0.02550  1.0 1.0
   65    62   -63    72  -0.02600 -1.0 2.0
   65    62   -63    72   1.20400  1.0 3.0
   65    62   -72    63   0.06250  1.0 1.0
   65    62   -72    63  -0.01100 -1.0 2.0
   65    62   -72    63   0.28050  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   41    53    49    55   1.10000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   56    57    55    49   1.10000 -1.0 2.0
END
