* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    213     410
    1     0 S   NP   _N1_     1    29.02775    93.63182   -19.75804
    2     1 S   H    _HN1     2     1.02779    81.17182   -74.60676
    3     1 S   H    _H1_     3     1.02959   102.62398    32.31531
    4     1 S   H    _H2_     4     1.02840    30.58397   134.54252
    5     1 S   CT   _CA1     5     1.50091   136.97241   172.15177
    6     5 S   HC   _HA1     6     1.09569   105.29967    39.84107
    7     5 S   CO3  _C1_     7     1.53859   112.28494   -80.51644
    8     7 S   O2Z  _O11     8     1.26359   115.01864   -45.98117
    9     7 S   O2Z  _O12     9     1.26237   114.89813   133.28206
   10     5 S   CT   _CB1    10     1.53096   107.45276   157.83159
   11    10 S   HC   HB11    11     1.09816   109.54633   -50.10292
   12    10 S   HC   HB12    12     1.09829   110.33206    66.49594
   13    10 S   CT   _CG1    13     1.52997   112.58281  -171.22430
   14    13 S   HC   HG11    14     1.09504   110.30920   -58.01871
   15    13 S   HC   HG12    15     1.09618   110.20664    61.04283
   16    13 S   C    _CD1    16     1.51778   112.07601  -178.75416
   17    16 S   O    _OE1    17     1.22736   123.08366   -15.70113
   18    16 S   N    _N2_    18     1.38568   111.73531   165.09172
   19    18 S   H    _HN2    19     1.01576   119.10201     1.45293
   20    18 S   CT1  _CA2    20     1.46294   123.49196  -177.54832
   21    20 S   HC   _HA2    21     1.09735   109.35329   -13.82197
   22    20 S   C    _C2_    22     1.53454   108.29775  -129.45856
   23    22 S   O    _O2_    23     1.22998   122.34737  -146.69565
   24    20 S   CT   _CB2    32     1.53542   111.18829   108.23916
   25    24 S   HC   HB21    33     1.09532   109.41313    54.64862
   26    24 S   HC   HB22    34     1.09450   110.31984   173.40629
   27    22 S   N    _N3_    24     1.38552   113.31520    40.77123
   28    27 S   H    _HN3    25     1.01528   118.84745    -0.77556
   29    24 S   S    _SG2    35     1.82985   111.31426   -67.24669
   30    27 S   CT   _CA3    26     1.45453   123.57655   175.19075
   31    30 S   HC   HA31    27     1.09513   109.39273    21.11397
   32    30 S   HC   HA32    28     1.09499   107.07457   138.13601
   33    29 S   CT   _C10    36     1.87513   100.72785   148.70425
   34    33 S   HC   _H4_    37     1.09782   105.95114   -31.80712
   35    30 S   CO3  _C3_    29     1.52916   113.05088  -102.48147
   36    35 S   O2Z  _O31    30     1.26408   115.38731   -44.71083
   37    35 S   O2Z  _O32    31     1.26352   115.00114   136.24492
   38    33 S   CT   _C11    38     1.55817   104.56591  -144.62680
   39    38 S   HC   _H13    39     1.09938   111.18404    21.34561
   40    38 S   HC   _H14    40     1.09263   109.71194   -93.34888
   41    33 S   CT   _C9_    60     1.59495   113.60300    87.79955
   42    41 S   OM   _O35    61     1.32921   107.40620   -68.31217
   43    38 S   CT   _C12    41     1.54104   113.90456   141.57152
   44    43 S   HC   _H5_    42     1.09125   111.16542    35.43654
   45    41 S   CT   _C18    62     1.54627   113.33117    49.18666
   46    45 S   HC   _H19    63     1.09772   113.07033   -65.98503
   47    45 S   HC   _H20    64     1.09853   111.47859   174.59840
   48    45 S   HC   _H21    65     1.09459   111.83268    54.61801
   49    43 S   CM   _C16    43     1.49744   117.61317   -86.56172
   50    49 S   CO4  _C15    44     1.48157   107.89519  -149.44761
   51    50 S   O    _O34    45     1.21731   127.23191  -165.70453
   52    49 S   CM   _C17    72     1.33548   131.07831    28.34763
   53    52 S   HC   _H17    73     1.08317   121.50467     1.26610
   54    52 S   HC   _H18    74     1.08576   121.55801  -178.41576
   55    50 S   OS   _O33    46     1.36497   106.89838    12.82600
   56    43 S   CT   _C13    47     1.52827   112.85027   159.95512
   57    56 S   HC   _H6_    48     1.09999   110.69860    44.04150
   58    56 S   CT   _C14    49     1.53717   116.64778   -78.97596
   59    58 S   HC   _H15    50     1.09858   108.49819  -171.89979
   60    58 S   HC   _H16    51     1.09521   109.05100    74.72346
   61    58 S   CM   _C5_    52     1.51744   116.07404   -50.34614
   62    61 S   CM   _C6_    53     1.34917   124.35396    92.44531
   63    62 S   HC   _H10    54     1.08915   118.30478   179.42427
   64    61 S   CT   _C4_    68     1.50615   115.47840   -88.72897
   65    64 S   HC   _H7_    69     1.09488   110.32457   -57.90888
   66    64 S   HC   _H8_    70     1.09525   112.29340  -177.73221
   67    64 S   HC   _H9_    71     1.09400   110.59554    62.26867
   68    62 S   CT   _C7_    55     1.50649   126.72490    -3.16081
   69    68 S   HC   _H3_    56     1.08507   110.69200    12.67384
   70    68 S   CT   _C8_    57     1.54548   111.47122  -111.78695
   71    70 S   HC   _H11    58     1.10309   106.73769   -93.50699
   72    70 S   HC   _H12    59     1.09892   110.71117    19.55615
   73    68 S   OH   _O36    66     1.43035   108.04385   127.32125
   74    73 S   HO   _H22    67     0.97215   108.08918    65.44367
  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
  18   8   2   1   1  15   6   5  13   8  14   7   7   3   2   1
   9   8   3   4   1   1   6   7   4  10   4   3  10  12   5   4
   2   1   1   6   5   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    70    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    56    68    70    71    72    41    42    45    46    47    48  
   38    39    40    43    70    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    55    56    57    58    70    41    42    45    52  
   40    43    44    49    56    41  
   43    44    49    56    41  
   42    45    46    47    48    73    43    62    68    69    70    71    72  
   45    46    47    48    68    70    71    72  
   44    49    50    51    55    56    57    58    59    60    61    52    53    54  
   49    50    55    56    57    58    52  
   46    47    48    68    70    71    72  
   47    48    70  
   48    70  
   70  
   50    51    55    56    57    58    52    53    54  
   51    55    56    57    58    52    53    54  
   55    56    52  
   53    54    55    56  
   54  
    0  
   56    57    58    59    60    61  
   57    58    59    60    61    62    64  
   58    59    60    61  
   59    60    61    62    63    68    64    65    66    67  
   60    61    62    64  
   61    62    64  
   62    63    68    69    70    73    64    65    66    67  
   63    68    69    70    71    72    73    74    64    65    66    67  
   68    69    70    73    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73    74  
   72    73  
   73  
   74  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    49   317.000  1.510
   43    56   268.000  1.529
   49    50   320.000  1.462
   49    52   549.000  1.340
   50    51   570.000  1.229
   50    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   549.000  1.340
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    68   317.000  1.510
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    41   268.000  1.529
   41    42   570.000  1.307
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   73    74   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   340.000  1.080
   52    54   340.000  1.080
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    70    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    49    70.00000  112.02700
   38    43    56    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    50    65.00000  116.34900
   43    49    52    70.00000  124.00000
   43    56    55    50.00000  109.50000
   43    56    57    37.50000  110.70000
   43    56    58    58.35000  112.70000
   49    43    44    35.00000  109.50000
   49    50    51    80.00000  123.72100
   49    50    55    90.00000  111.29400
   49    52    53    35.00000  120.00000
   49    52    54    35.00000  120.00000
   50    55    56    83.00000  116.90000
   55    50    51    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   56    43    44    37.50000  110.70000
   56    43    49    70.00000  112.02700
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    70.00000  112.02700
   58    56    57    37.50000  110.70000
   58    61    62    70.00000  124.00000
   58    61    64    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    68    70.00000  124.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    70.00000  112.02700
   62    68    73    90.00000  110.39200
   68    62    63    35.00000  117.00000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    41    58.35000  112.70000
   68    73    74    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    41    42    50.00000  109.50000
   70    41    45    58.35000  112.70000
   72    70    71    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    70    71    37.50000  110.70000
   41    70    72    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    50.00000  109.50000
   64    61    62    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    49    50    65.00000  118.96000
   54    52    53    35.00000  117.00000
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   0.32350  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    70   0.44750  1.0 1.0
   29    33    41    70  -0.17800 -1.0 2.0
   29    33    41    70   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    38    43    56   0.56750  1.0 1.0
   33    38    43    56  -0.07550 -1.0 2.0
   33    38    43    56   0.20000  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    70   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    70   0.56750  1.0 1.0
   38    33    41    70  -0.07550 -1.0 2.0
   38    33    41    70   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   0.09700  1.0 1.0
   38    43    49    50   0.15600 -1.0 2.0
   38    43    49    50  -0.50800  1.0 3.0
   38    43    49    52   0.09850  1.0 1.0
   38    43    49    52   0.15250 -1.0 2.0
   38    43    49    52  -0.50650  1.0 3.0
   38    43    56    55   0.62750  1.0 1.0
   38    43    56    55  -0.30950 -1.0 2.0
   38    43    56    55   0.27300  1.0 3.0
   38    43    56    57   0.15000  1.0 3.0
   38    43    56    58   0.56750  1.0 1.0
   38    43    56    58  -0.07550 -1.0 2.0
   38    43    56    58   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    43    56   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   40    38    43    56   0.15000  1.0 3.0
   43    49    50    51  -0.64400  1.0 1.0
   43    49    50    51   0.26850 -1.0 2.0
   43    49   -50    55  -0.15000  1.0 1.0
   43    49   -50    55   0.89550 -1.0 2.0
   43    49   -50    55  -0.06900  1.0 3.0
   43    49    52    53   7.00000 -1.0 2.0
   43    49    52    54   7.00000 -1.0 2.0
   43    56    58    59   0.15000  1.0 3.0
   43    56    58    60   0.15000  1.0 3.0
   43    56    58    61   0.34400  1.0 1.0
   43    56    58    61   0.09450 -1.0 2.0
   43    56    58    61   0.11100  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   44    43    56    55   0.23400  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    58   0.15000  1.0 3.0
   49    43   -56    55   0.61850  1.0 1.0
   49    43   -56    55  -0.22750 -1.0 2.0
   49    43   -56    55   0.15300  1.0 3.0
   49    43    56    57   0.15000  1.0 3.0
   49    43    56    58   0.34400  1.0 1.0
   49    43    56    58   0.09450 -1.0 2.0
   49    43    56    58   0.11100  1.0 3.0
   49    50   -55    56   2.00000 -1.0 2.0
   50    49    52    53   7.00000 -1.0 2.0
   50    49    52    54   7.00000 -1.0 2.0
   50    55   -56    43  -0.25900  1.0 1.0
   50    55   -56    43  -0.47000 -1.0 2.0
   50    55   -56    43   0.11750  1.0 3.0
   50    55    56    57   0.08050  1.0 3.0
   50    55    56    58  -0.25900  1.0 1.0
   50    55    56    58  -0.47000 -1.0 2.0
   50    55    56    58   0.11750  1.0 3.0
   51    50    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.23400  1.0 3.0
   55    56    58    61   0.61850  1.0 1.0
   55    56    58    61  -0.22750 -1.0 2.0
   55    56    58    61   0.15300  1.0 3.0
   56    43   -49    50   0.09700  1.0 1.0
   56    43   -49    50   0.15600 -1.0 2.0
   56    43   -49    50  -0.50800  1.0 3.0
   56    43    49    52   0.09850  1.0 1.0
   56    43    49    52   0.15250 -1.0 2.0
   56    43    49    52  -0.50650  1.0 3.0
   56    58    61    62   0.09850  1.0 1.0
   56    58    61    62   0.15250 -1.0 2.0
   56    58    61    62  -0.50650  1.0 3.0
   56    58    61    64   0.46850  1.0 1.0
   56    58    61    64   0.08550 -1.0 2.0
   56    58    61    64   0.09800  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   58    61    62    63   7.00000 -1.0 2.0
   58    61    62    68   7.00000 -1.0 2.0
   58    61    64    65   0.34800  1.0 3.0
   58    61    64    66   0.34800  1.0 3.0
   58    61    64    67   0.34800  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    64   0.34800  1.0 3.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    64   0.34800  1.0 3.0
   61    62    68    69   0.00000  1.0 1.0
   61    62    68    70   0.09850  1.0 1.0
   61    62    68    70   0.15250 -1.0 2.0
   61    62    68    70  -0.50650  1.0 3.0
   61    62    68    73   0.67800  1.0 1.0
   61    62    68    73   0.47050 -1.0 2.0
   61    62    68    73  -0.62500  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    67   0.00000  1.0 1.0
   62    68    70    71   0.15000  1.0 3.0
   62    68    70    72   0.15000  1.0 3.0
   62    68    70    41   0.34400  1.0 1.0
   62    68    70    41   0.09450 -1.0 2.0
   62    68    70    41   0.11100  1.0 3.0
   62    68    73    74  -0.07800  1.0 1.0
   62    68    73    74  -0.21500 -1.0 2.0
   62    68    73    74  -0.03150  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.00000  1.0 1.0
   63    62    68    73   0.00000  1.0 1.0
   68    70    41    33   0.56750  1.0 1.0
   68    70    41    33  -0.07550 -1.0 2.0
   68    70    41    33   0.20000  1.0 3.0
   68    70    41    42   0.62750  1.0 1.0
   68    70    41    42  -0.30950 -1.0 2.0
   68    70    41    42   0.27300  1.0 3.0
   68    70    41    45   0.56750  1.0 1.0
   68    70    41    45  -0.07550 -1.0 2.0
   68    70    41    45   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    41   0.15000  1.0 3.0
   69    68    73    74   0.19450  1.0 3.0
   70    68    73    74  -0.11600  1.0 1.0
   70    68    73    74  -0.09450 -1.0 2.0
   70    68    73    74   0.21250  1.0 3.0
   70    41    45    46   0.15000  1.0 3.0
   70    41    45    47   0.15000  1.0 3.0
   70    41    45    48   0.15000  1.0 3.0
   71    70    41    33   0.15000  1.0 3.0
   71    70    41    42   0.23400  1.0 3.0
   71    70    41    45   0.15000  1.0 3.0
   72    70    41    33   0.15000  1.0 3.0
   72    70    41    42   0.23400  1.0 3.0
   72    70    41    45   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    45    46   0.23400  1.0 3.0
   42    41    45    47   0.23400  1.0 3.0
   42    41    45    48   0.23400  1.0 3.0
   73    68    70    71   0.23400  1.0 3.0
   73    68    70    72   0.23400  1.0 3.0
   73    68    70    41   0.86500  1.0 1.0
   73    68    70    41  -0.17500 -1.0 2.0
   73    68    70    41   0.20800  1.0 3.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    68   7.00000 -1.0 2.0
   52    49    50    51   1.00000 -1.0 2.0
   52    49    50    55  -0.56150  1.0 1.0
   52    49    50    55   2.19150 -1.0 2.0
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
   43    50    49    52   1.10000 -1.0 2.0
   49    55    50    51  10.50000 -1.0 2.0
   58    64    61    62   1.10000 -1.0 2.0
   68    63    62    61   1.10000 -1.0 2.0
   53    54    52    49   1.10000 -1.0 2.0
END
