* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    136    222     409
    1     0 S   NP   _N1_     1    29.23903    93.29161   -23.23188
    2     1 S   H    _HN1     2     1.02955    89.91212    20.21959
    3     1 S   H    _H1_     3     1.02823    20.83741   166.16253
    4     1 S   H    _H2_     4     1.02774   103.44933   -88.66619
    5     1 S   CT   _CA1     5     1.50147   129.42754   136.87196
    6     5 S   HC   _HA1     6     1.09577   105.17394    69.90387
    7     5 S   CO3  _C1_     7     1.53797   112.43840   -50.17900
    8     7 S   O2Z  _O11     8     1.26367   115.00732   -41.20865
    9     7 S   O2Z  _O12     9     1.26249   114.94630   137.79110
   10     5 S   CT   _CB1    10     1.53076   107.37365  -172.21666
   11    10 S   HC   HB11    11     1.09825   109.26825   -50.21803
   12    10 S   HC   HB12    12     1.09822   110.44978    66.34129
   13    10 S   CT   _CG1    13     1.52982   112.69393  -171.31027
   14    13 S   HC   HG11    14     1.09593   110.42786   -65.50120
   15    13 S   HC   HG12    15     1.09659   109.99175    53.75680
   16    13 S   C    _CD1    16     1.51783   112.30259   174.01018
   17    16 S   O    _OE1    17     1.22745   123.31916    -1.31060
   18    16 S   N    _N2_    18     1.38694   111.65184   178.98548
   19    18 S   H    _HN2    19     1.01585   119.05131     1.58412
   20    18 S   CT1  _CA2    20     1.46046   123.23195   179.65170
   21    20 S   HC   _HA2    21     1.09570   109.23455    -3.29681
   22    20 S   C    _C2_    22     1.53454   108.97999  -118.37976
   23    22 S   O    _O2_    23     1.23060   122.19140  -149.96473
   24    20 S   CT   _CB2    32     1.53393   111.82638   118.95332
   25    24 S   HC   HB21    33     1.09656   109.58138    64.89150
   26    24 S   HC   HB22    34     1.09575   110.80689  -177.85452
   27    22 S   N    _N3_    24     1.38318   113.68501    37.62358
   28    27 S   H    _HN3    25     1.01622   119.51757    -3.73722
   29    24 S   S    _SG2    35     1.82879   114.78946   -54.80194
   30    27 S   CT   _CA3    26     1.45283   123.13601   176.87306
   31    30 S   HC   HA31    27     1.09552   107.55821   -63.08951
   32    30 S   HC   HA32    28     1.09559   107.91060    53.31185
   33    29 S   CT   _C18    36     1.82683   100.02457   -66.16114
   34    33 S   HC   _H3_    37     1.09220   107.06681   -60.35482
   35    33 S   HC   _H4_    38     1.09331   109.36637    57.08700
   36    30 S   CO3  _C3_    29     1.52935   114.14205   175.28694
   37    36 S   O2Z  _O31    30     1.26364   116.06533    -0.25101
   38    36 S   O2Z  _O32    31     1.26430   114.40782   179.79442
   39    33 S   CT   _C13    39     1.52823   110.75127   178.42480
   40    39 S   HC   _H32    40     1.09706   112.33069    43.44579
   41    39 S   CO4  _C6_    41     1.52716   112.53773   -79.71154
   42    41 S   O    _O17    42     1.22076   126.65172    41.38574
   43    41 S   OS   _O19    43     1.37686   109.71048  -138.92629
   44    43 S   CT   _C15    44     1.42727   107.82010    -8.87518
   45    44 S   HC   _H34    45     1.09883   106.69860   -83.87134
   46    44 S   CT   _C12    46     1.53850   114.62923   153.57258
   47    46 S   HC   _H31    47     1.09973   107.02693   -54.35116
   48    39 S   CT   _C14    61     1.52633   112.99656   169.05724
   49    48 S   HC   _H33    62     1.10200   107.34059    41.90552
   50    46 S   CM   _C4_    48     1.50876   110.11797    63.40856
   51    50 S   CO4  _C5_    49     1.48196   121.29934    92.42535
   52    51 S   O    _O16    50     1.22704   122.48880  -173.40977
   53    50 S   CM   _C7_    70     1.34380   121.66599   -90.42816
   54    53 S   HC   _H22    71     1.08583   120.83039     1.58041
   55    53 S   HC   _H23    72     1.08524   122.77356  -178.58986
   56    51 S   OS   _O18    51     1.35411   116.81383     8.01099
   57    56 S   CT   _C11    52     1.44287   124.57445    -9.19127
   58    57 S   HC   _H29    53     1.09452   106.69381   -91.12883
   59    57 S   HC   _H30    54     1.09709   106.49596   156.23638
   60    46 S   CT   _C17    55     1.55898   110.76989  -173.21632
   61    60 S   CT   _C10    56     1.55925   111.28404    47.69915
   62    61 S   HC   _H27    57     1.09923   110.45840  -170.15911
   63    61 S   HC   _H28    58     1.10058   109.32372    75.13388
   64    60 S   CM   _C9_    65     1.53274   115.02679   168.28372
   65    64 S   HC   _H26    66     1.09068   115.37309   171.07866
   66    61 S   CT   _C16    59     1.53941   115.20560   -46.54904
   67    66 S   HC   _H35    60     1.09534   110.89029   -69.60827
   68    64 S   CM   _C8_    67     1.33907   128.49548   -10.11175
   69    68 S   HC   _H24    68     1.08562   119.94178  -179.49681
   70    68 S   HC   _H25    69     1.08254   123.11587    -0.00000
   71    66 S   OH   _O20    63     1.42152   108.85359   172.21518
   72    71 S   HO   _H38    64     0.97262   107.70224    59.92512
  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
  11   5   4   2   1   1  13   7   8   3   9  15   7  21   8  10
   4  10   9   3   4   1   1   6  10   4   3  11   9   5   4   5
   3   3   2   2   1   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    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    66    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    61    66    67    48    49    71  
   41    42    43    44    66    48    49  
   42    43    44    45    46    66    48    49  
   43    44    48  
   44    45    46    47    50    60    66    48    49  
   45    46    47    50    51    57    60    61    66    67    48    49    71    64    53  
   46    47    50    60    66    48    49  
   47    50    51    52    56    57    58    59    60    61    62    63    66    48    49    64    65    68    53    54    55  
   50    51    57    60    61    48    64    53  
   49    71    72    50    60    61    62    63    66    67  
   71    61    66    67  
   51    52    56    57    60    61    64    53    54    55  
   52    56    57    58    59    60    53    54    55  
   56    57    53  
   54    55    56    60  
   55  
    0  
   57    58    59    60    61    64  
   58    59    60    61    62    63    66    64    65    68  
   59    60    61    64  
   60    61    64  
   61    62    63    66    67    71    64    65    68    69    70  
   62    63    66    67    71    72    64    65    68  
   63    66    67    71    64  
   66    67    71    64  
   65    68    69    70    66  
   68    69    70  
   67    71    72  
   71    72  
   69    70  
   70  
    0  
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   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    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   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   268.000  1.529
   50    51   320.000  1.462
   50    53   549.000  1.340
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   268.000  1.529
   60    64   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    48   268.000  1.529
   66    71   320.000  1.410
   48    49   340.000  1.090
   71    72   553.000  0.945
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   340.000  1.080
   68    70   340.000  1.080
   53    54   340.000  1.080
   53    55   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    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    63.00000  111.10000
   33    39    48    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    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    66    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    58.35000  112.70000
   44    48    66    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    65.00000  116.34900
   46    50    53    70.00000  124.00000
   46    60    57    58.35000  112.70000
   46    60    61    58.35000  112.70000
   46    60    64    70.00000  112.02700
   50    46    47    35.00000  109.50000
   50    51    52    80.00000  123.72100
   50    51    56    90.00000  111.29400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    60    50.00000  109.50000
   57    60    61    58.35000  112.70000
   57    60    64    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    46    47    37.50000  110.70000
   60    46    50    70.00000  112.02700
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    61    62    37.50000  110.70000
   60    61    63    37.50000  110.70000
   60    61    66    58.35000  112.70000
   60    64    65    35.00000  117.00000
   60    64    68    70.00000  124.00000
   61    66    67    37.50000  110.70000
   61    66    48    58.35000  112.70000
   61    66    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    48    49    37.50000  110.70000
   66    71    72    55.00000  108.50000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    66    67    37.50000  110.70000
   71    66    67    35.00000  109.50000
   71    66    48    50.00000  109.50000
   64    60    61    70.00000  112.02700
   64    68    69    35.00000  120.00000
   64    68    70    35.00000  120.00000
   68    64    65    35.00000  120.00000
   70    68    69    35.00000  117.00000
   53    50    51    65.00000  118.96000
   55    53    54    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    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    66   0.56750  1.0 1.0
   33    39    48    66  -0.07550 -1.0 2.0
   33    39    48    66   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    66   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    66  -0.95700  1.0 1.0
   41    39    48    66  -0.18200 -1.0 2.0
   41    39    48    66   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   0.62750  1.0 1.0
   43    44    46    60  -0.30950 -1.0 2.0
   43    44    46    60   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    66   0.62750  1.0 1.0
   43    44    48    66  -0.30950 -1.0 2.0
   43    44    48    66   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09700  1.0 1.0
   44    46    50    51   0.15600 -1.0 2.0
   44    46    50    51  -0.50800  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    60    57   0.56750  1.0 1.0
   44    46    60    57  -0.07550 -1.0 2.0
   44    46    60    57   0.20000  1.0 3.0
   44    46    60    61   0.56750  1.0 1.0
   44    46    60    61  -0.07550 -1.0 2.0
   44    46    60    61   0.20000  1.0 3.0
   44    46    60    64   0.34400  1.0 1.0
   44    46    60    64   0.09450 -1.0 2.0
   44    46    60    64   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    66   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    66   0.56750  1.0 1.0
   46    44    48    66  -0.07550 -1.0 2.0
   46    44    48    66   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52  -0.64400  1.0 1.0
   46    50    51    52   0.26850 -1.0 2.0
   46    50    51    56  -0.15000  1.0 1.0
   46    50    51    56   0.89550 -1.0 2.0
   46    50    51    56  -0.06900  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    55   7.00000 -1.0 2.0
   46    60    61    62   0.15000  1.0 3.0
   46    60    61    63   0.15000  1.0 3.0
   46    60   -61    66   0.56750  1.0 1.0
   46    60   -61    66  -0.07550 -1.0 2.0
   46    60   -61    66   0.20000  1.0 3.0
   46    60    64    65   0.00000  1.0 1.0
   46    60    64    68   0.09850  1.0 1.0
   46    60    64    68   0.15250 -1.0 2.0
   46    60    64    68  -0.50650  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    60    57   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    64   0.15000  1.0 3.0
   50    46    60    57   0.34400  1.0 1.0
   50    46    60    57   0.09450 -1.0 2.0
   50    46    60    57   0.11100  1.0 3.0
   50    46    60    61   0.34400  1.0 1.0
   50    46    60    61   0.09450 -1.0 2.0
   50    46    60    61   0.11100  1.0 3.0
   50    46    60    64   0.31000  1.0 1.0
   50    46    60    64   0.14700 -1.0 2.0
   50    46    60    64   0.07550  1.0 3.0
   50    51   -56    57   2.00000 -1.0 2.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56    57    58   0.08050  1.0 3.0
   51    56    57    59   0.08050  1.0 3.0
   51    56    57    60  -0.25900  1.0 1.0
   51    56    57    60  -0.47000 -1.0 2.0
   51    56    57    60   0.11750  1.0 3.0
   52    51    56    57   3.00000 -1.0 2.0
   56    57   -60    46   0.62750  1.0 1.0
   56    57   -60    46  -0.30950 -1.0 2.0
   56    57   -60    46   0.27300  1.0 3.0
   56    57    60    61   0.62750  1.0 1.0
   56    57    60    61  -0.30950 -1.0 2.0
   56    57    60    61   0.27300  1.0 3.0
   56    57    60    64   0.61850  1.0 1.0
   56    57    60    64  -0.22750 -1.0 2.0
   56    57    60    64   0.15300  1.0 3.0
   57    60    61    62   0.15000  1.0 3.0
   57    60    61    63   0.15000  1.0 3.0
   57    60    61    66   0.56750  1.0 1.0
   57    60    61    66  -0.07550 -1.0 2.0
   57    60    61    66   0.20000  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    68   0.09850  1.0 1.0
   57    60    64    68   0.15250 -1.0 2.0
   57    60    64    68  -0.50650  1.0 3.0
   58    57    60    46   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    64   0.15000  1.0 3.0
   59    57    60    46   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    64   0.15000  1.0 3.0
   60    46   -50    51   0.09700  1.0 1.0
   60    46   -50    51   0.15600 -1.0 2.0
   60    46   -50    51  -0.50800  1.0 3.0
   60    46    50    53   0.09850  1.0 1.0
   60    46    50    53   0.15250 -1.0 2.0
   60    46    50    53  -0.50650  1.0 3.0
   60    61    66    67   0.15000  1.0 3.0
   60    61    66    48   0.56750  1.0 1.0
   60    61    66    48  -0.07550 -1.0 2.0
   60    61    66    48   0.20000  1.0 3.0
   60    61    66    71   0.86500  1.0 1.0
   60    61    66    71  -0.17500 -1.0 2.0
   60    61    66    71   0.20800  1.0 3.0
   60    64    68    69   7.00000 -1.0 2.0
   60    64    68    70   7.00000 -1.0 2.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    68   0.09850  1.0 1.0
   61    60    64    68   0.15250 -1.0 2.0
   61    60    64    68  -0.50650  1.0 3.0
   61    66    48    39   0.56750  1.0 1.0
   61    66    48    39  -0.07550 -1.0 2.0
   61    66    48    39   0.20000  1.0 3.0
   61    66   -48    44   0.56750  1.0 1.0
   61    66   -48    44  -0.07550 -1.0 2.0
   61    66   -48    44   0.20000  1.0 3.0
   61    66    48    49   0.15000  1.0 3.0
   61    66    71    72  -0.11600  1.0 1.0
   61    66    71    72  -0.09450 -1.0 2.0
   61    66    71    72   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    48   0.15000  1.0 3.0
   62    61    66    71   0.23400  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    48   0.15000  1.0 3.0
   63    61    66    71   0.23400  1.0 3.0
   67    66    48    39   0.15000  1.0 3.0
   67    66    48    44   0.15000  1.0 3.0
   67    66    48    49   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44   -46    60   0.56750  1.0 1.0
   48    44   -46    60  -0.07550 -1.0 2.0
   48    44   -46    60   0.20000  1.0 3.0
   48    66    71    72  -0.11600  1.0 1.0
   48    66    71    72  -0.09450 -1.0 2.0
   48    66    71    72   0.21250  1.0 3.0
   71    66    48    39   0.86500  1.0 1.0
   71    66    48    39  -0.17500 -1.0 2.0
   71    66    48    39   0.20800  1.0 3.0
   71    66    48    44   0.86500  1.0 1.0
   71    66    48    44  -0.17500 -1.0 2.0
   71    66    48    44   0.20800  1.0 3.0
   71    66    48    49   0.23400  1.0 3.0
   64    60    61    62   0.15000  1.0 3.0
   64    60    61    63   0.15000  1.0 3.0
   64    60    61    66   0.34400  1.0 1.0
   64    60    61    66   0.09450 -1.0 2.0
   64    60    61    66   0.11100  1.0 3.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    70   7.00000 -1.0 2.0
   53    50    51    52   1.00000 -1.0 2.0
   53    50    51    56  -0.56150  1.0 1.0
   53    50    51    56   2.19150 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    50    53   1.10000 -1.0 2.0
   50    56    51    52  10.50000 -1.0 2.0
   60    65    64    68  15.00000 -1.0 2.0
   69    70    68    64  15.00000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
