* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    141    216     420
    1     0 S   NP   _N1_     1    30.18213    92.65551   -17.29754
    2     1 S   H    _HN1     2     1.02958   101.11030   143.03422
    3     1 S   H    _H1_     3     1.02720    29.54130    37.22742
    4     1 S   H    _H2_     4     1.03290   136.00580    14.20270
    5     1 S   CT   _CA1     5     1.50154    87.93822  -106.68806
    6     5 S   HC   _HA1     6     1.09569   105.38646    70.81875
    7     5 S   CO3  _C1_     7     1.53686   112.58362   -49.74358
    8     7 S   O2Z  _O11     8     1.26384   115.06480   -44.56359
    9     7 S   O2Z  _O12     9     1.26260   114.97411   134.73385
   10     5 S   CT   _CB1    10     1.52829   107.02641  -171.63801
   11    10 S   HC   HB11    11     1.09795   108.85723   -55.65151
   12    10 S   HC   HB12    12     1.09818   109.99269    60.22310
   13    10 S   CT   _CG1    13     1.53152   113.78953  -176.74442
   14    13 S   HC   HG11    14     1.09550   111.19408   -75.01743
   15    13 S   HC   HG12    15     1.09595   110.63604    44.81268
   16    13 S   C    _CD1    16     1.51567   110.01309   164.05052
   17    16 S   O    _OE1    17     1.22835   121.78449  -113.10617
   18    16 S   N    _N2_    18     1.38256   112.77126    65.25641
   19    18 S   H    _HN2    19     1.01561   119.18715     9.66204
   20    18 S   CT1  _CA2    20     1.45736   123.36261  -171.60787
   21    20 S   HC   _HA2    21     1.09703   109.31171     4.67797
   22    20 S   C    _C2_    22     1.52739   107.37244  -112.91291
   23    22 S   O    _O2_    23     1.22950   122.92642   -24.99010
   24    20 S   CT   _CB2    32     1.53679   111.43824   127.00691
   25    24 S   HC   HB21    33     1.09440   109.17219    57.72593
   26    24 S   HC   HB22    34     1.09327   109.64113   176.44092
   27    22 S   N    _N3_    24     1.38628   112.40156   157.83033
   28    27 S   H    _HN3    25     1.01497   119.72092     0.88691
   29    24 S   S    _SG2    35     1.83253   110.69077   -62.38619
   30    27 S   CT   _CA3    26     1.45431   122.69523   175.23597
   31    30 S   HC   HA31    27     1.09549   108.77775    33.34004
   32    30 S   HC   HA32    28     1.09476   107.18735   150.44991
   33    29 S   CT   _C11    36     1.88855   103.47601  -173.34598
   34    30 S   CO3  _C3_    29     1.53090   113.84506   -89.47124
   35    34 S   O2Z  _O31    30     1.26356   115.96534   -27.09545
   36    34 S   O2Z  _O32    31     1.26440   114.56579   153.73554
   37    33 S   CT   _C12    37     1.55956   106.58777    58.52536
   38    37 S   HC   _H11    38     1.09753   111.92512    28.15438
   39    37 S   HC   _H12    39     1.09901   110.68285   -86.76290
   40    33 S   CT   _C18    72     1.55181   106.66680   -56.24707
   41    40 S   HC   _H22    73     1.09215   113.02789   -58.79387
   42    40 S   HC   _H23    74     1.09481   111.72596   179.37068
   43    40 S   HC   _H24    75     1.09494   112.31241    62.40874
   44    37 S   CT   _C13    40     1.51895   114.54228   150.72297
   45    44 S   HC   _H3_    41     1.09421   109.26232    64.24055
   46    44 S   CT   _C14    42     1.52910   113.07000   -59.44426
   47    46 S   HC   _H13    43     1.09898   106.80589   150.56580
   48    46 S   HC   _H14    44     1.09877   110.00585   -97.09061
   49    44 S   OH   _O34    70     1.42807   108.58242   179.37162
   50    49 S   HO   _H21    71     0.97253   107.49266  -178.77443
   51    46 S   CT   _C15    45     1.55380   115.41664    27.75817
   52    33 S   CT   _C10    46     1.63287   110.91701  -178.79147
   53    51 S   CT   _C16    62     1.55493   108.84716   -95.59036
   54    53 S   HC   _H15    63     1.09525   111.77375   179.88636
   55    53 S   HC   _H16    64     1.08986   113.29020    57.57934
   56    53 S   HC   _H17    65     1.09731   110.79388   -61.26263
   57    51 S   CT   _C17    66     1.55846   107.63350   152.21897
   58    57 S   HC   _H18    67     1.09539   111.61312   179.13521
   59    57 S   HC   _H19    68     1.09688   110.88833    59.49296
   60    57 S   HC   _H20    69     1.09448   112.32682   -59.40189
   61    52 S   CM   _C9_    47     1.54206   111.66831   148.96862
   62    61 S   HC   _H10    48     1.08776   114.96443    51.05063
   63    52 S   OS   _O35    57     1.44631   112.25648    23.04578
   64    61 S   CM   _C8_    49     1.34285   131.65383  -130.35500
   65    64 S   HC   _H9_    50     1.08998   116.53783  -179.17149
   66    64 S   CM   _C5_    51     1.44811   128.96992    -0.59182
   67    66 S   CM   _C6_    52     1.34468   123.72543    28.15015
   68    67 S   HC   _H7_    53     1.09054   117.44386   177.07363
   69    66 S   CT   _C4_    58     1.50425   115.09248  -154.70036
   70    69 S   HC   _H4_    59     1.09563   110.44058    60.14186
   71    69 S   HC   _H5_    60     1.09554   110.72002   -60.07824
   72    69 S   HC   _H6_    61     1.09545   112.18992   179.87967
   73    67 S   CT   _C7_    54     1.51036   123.98452    -3.04607
   74    73 S   OM   _O33    55     1.32104   106.45190  -171.01705
   75    73 S   HC   _H8_    56     1.09283   106.91747    60.89344
  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  13   5   4   3
  20   2   1   1  17   7   6   8   3   2   1  10   6  16   6   5
   2   1  14  18   9   3   2   1   5   2   1   1   8   4   7   9
   3   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    51    52    61    63    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    51    52    61    62    64    73    63    53    57    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    61    63    49    50    40    41    42    43  
   39    44    45    46    52    49    40  
   44    45    46    52    49    40  
   41    42    43    44    51    52    61    63  
   42    43    52  
   43    52  
   52  
   45    46    47    48    51    52    53    57    49    50  
   46    47    48    51    49    50  
   47    48    51    52    61    63    53    54    55    56    57    58    59    60    49    50  
   48    51    52    53    57    49  
   51    52    53    57    49  
   50    51  
    0  
   52    61    62    64    73    63    53    54    55    56    57    58    59    60  
   61    62    64    65    66    67    73    74    75    63    53    54    55    56    57    58    59    60  
   54    55    56    57    58    59    60    61    63  
   55    56    57  
   56    57  
   57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    64    65    66    67    73    63    69  
   64    65    66    63  
   64    66    67    68    73    74    75  
   65    66    67    68    73    69    70    71    72  
   66    67    69  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    69    70    71    72  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.461500   1.9750   1.7500   0.005000000  -0.741685710
   74   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   75   2.5000   0.0500   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    53   268.000  1.529
   51    57   268.000  1.529
   52    61   317.000  1.510
   52    63   320.000  1.410
   61    62   340.000  1.080
   61    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   549.000  1.340
   66    69   317.000  1.510
   67    68   340.000  1.080
   67    73   317.000  1.510
   73    74   570.000  1.307
   73    75   340.000  1.090
   73    63   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    52    51    58.35000  112.70000
   33    52    61    70.00000  112.02700
   33    52    63    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    50    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    53    58.35000  112.70000
   46    51    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    61    70.00000  112.02700
   51    52    63    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   52    33    37    58.35000  112.70000
   52    61    62    35.00000  117.00000
   52    61    64    70.00000  124.00000
   52    63    73    60.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    66    70.00000  123.01800
   64    61    62    35.00000  120.00000
   64    66    67    70.00000  123.01800
   64    66    69    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    70.00000  124.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    74    85.00000  110.90400
   67    73    75    35.00000  109.50000
   67    73    63    85.00000  110.90400
   73    67    68    35.00000  117.00000
   75    73    74    45.00000  125.66300
   63    52    61    85.00000  110.90400
   63    73    74   110.00000  112.65000
   63    73    75    35.00000  109.50000
   69    66    67    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   53    51    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    51    52    58.35000  112.70000
   57    51    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    52    51   0.44750  1.0 1.0
   29    33    52    51  -0.17800 -1.0 2.0
   29    33    52    51   0.20200  1.0 3.0
   29    33    52    61   0.56750  1.0 1.0
   29    33    52    61  -0.07550 -1.0 2.0
   29    33    52    61   0.20000  1.0 3.0
   29    33    52    63   0.56750  1.0 1.0
   29    33    52    63  -0.07550 -1.0 2.0
   29    33    52    63   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.56750  1.0 1.0
   33    37    44    46  -0.07550 -1.0 2.0
   33    37    44    46   0.20000  1.0 3.0
   33    37    44    49   0.86500  1.0 1.0
   33    37    44    49  -0.17500 -1.0 2.0
   33    37    44    49   0.20800  1.0 3.0
   33    52    61    62   0.00000  1.0 1.0
   33    52    61    64   0.09850  1.0 1.0
   33    52    61    64   0.15250 -1.0 2.0
   33    52    61    64  -0.50650  1.0 3.0
   33    52    63    73   0.06250  1.0 1.0
   33    52    63    73  -0.01100 -1.0 2.0
   33    52    63    73   0.28050  1.0 3.0
   37    33    52    51   0.56750  1.0 1.0
   37    33    52    51  -0.07550 -1.0 2.0
   37    33    52    51   0.20000  1.0 3.0
   37    33    52    61   0.34400  1.0 1.0
   37    33    52    61   0.09450 -1.0 2.0
   37    33    52    61   0.11100  1.0 3.0
   37    33    52    63   0.62750  1.0 1.0
   37    33    52    63  -0.30950 -1.0 2.0
   37    33    52    63   0.27300  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    48   0.15000  1.0 3.0
   37    44   -46    51   0.56750  1.0 1.0
   37    44   -46    51  -0.07550 -1.0 2.0
   37    44   -46    51   0.20000  1.0 3.0
   37    44    49    50  -0.11600  1.0 1.0
   37    44    49    50  -0.09450 -1.0 2.0
   37    44    49    50   0.21250  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    49   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    49   0.23400  1.0 3.0
   44    46    51    52   0.56750  1.0 1.0
   44    46    51    52  -0.07550 -1.0 2.0
   44    46    51    52   0.20000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    57   0.56750  1.0 1.0
   44    46    51    57  -0.07550 -1.0 2.0
   44    46    51    57   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50  -0.11600  1.0 1.0
   46    44    49    50  -0.09450 -1.0 2.0
   46    44    49    50   0.21250  1.0 3.0
   46    51   -52    33   0.56750  1.0 1.0
   46    51   -52    33  -0.07550 -1.0 2.0
   46    51   -52    33   0.20000  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    52    63   0.62750  1.0 1.0
   46    51    52    63  -0.30950 -1.0 2.0
   46    51    52    63   0.27300  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    53    56   0.15000  1.0 3.0
   46    51    57    58   0.15000  1.0 3.0
   46    51    57    59   0.15000  1.0 3.0
   46    51    57    60   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.15000  1.0 3.0
   51    52    61    62   0.00000  1.0 1.0
   51    52    61    64   0.09850  1.0 1.0
   51    52    61    64   0.15250 -1.0 2.0
   51    52    61    64  -0.50650  1.0 3.0
   51    52    63    73   0.06250  1.0 1.0
   51    52    63    73  -0.01100 -1.0 2.0
   51    52    63    73   0.28050  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.56750  1.0 1.0
   52    33   -37    44  -0.07550 -1.0 2.0
   52    33   -37    44   0.20000  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    61    64    65   7.00000 -1.0 2.0
   52    61    64    66   7.00000 -1.0 2.0
   61    52    63    73  -0.77900  1.0 1.0
   61    52    63    73  -0.36900 -1.0 2.0
   61    52    63    73   0.40400  1.0 3.0
   61    64    66    67   0.28850  1.0 1.0
   61    64    66    67   2.61350 -1.0 2.0
   61    64    66    67   0.78400  1.0 3.0
   61    64    66    69  -0.18600  1.0 3.0
   62    61    64    65   7.00000 -1.0 2.0
   62    61    64    66   7.00000 -1.0 2.0
   64    66    67    68   7.00000 -1.0 2.0
   64    66    67    73   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.00000  1.0 1.0
   65    64    66    67  -0.18600  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    67    73    74   0.39000  1.0 1.0
   66    67    73    74  -0.05800 -1.0 2.0
   66    67    73    74  -0.55150  1.0 3.0
   66    67    73    75   0.00000  1.0 1.0
   66    67    73    63   0.39000  1.0 1.0
   66    67    73    63  -0.05800 -1.0 2.0
   66    67    73    63  -0.55150  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    63    52  -0.77900  1.0 1.0
   67    73    63    52  -0.36900 -1.0 2.0
   67    73    63    52   0.40400  1.0 3.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.33100  1.0 3.0
   68    67    73    63   0.00000  1.0 1.0
   74    73    63    52  -0.11650  1.0 1.0
   74    73    63    52  -1.14850 -1.0 2.0
   74    73    63    52   0.58850  1.0 3.0
   75    73    63    52   0.37050  1.0 3.0
   63    52    61    62   0.00000  1.0 1.0
   63    52    61    64   0.39000  1.0 1.0
   63    52    61    64  -0.05800 -1.0 2.0
   63    52    61    64  -0.55150  1.0 3.0
   69    66    67    68   7.00000 -1.0 2.0
   69    66    67    73   7.00000 -1.0 2.0
   53    51    52    33   0.56750  1.0 1.0
   53    51    52    33  -0.07550 -1.0 2.0
   53    51    52    33   0.20000  1.0 3.0
   53    51    52    61   0.34400  1.0 1.0
   53    51    52    61   0.09450 -1.0 2.0
   53    51    52    61   0.11100  1.0 3.0
   53    51    52    63   0.62750  1.0 1.0
   53    51    52    63  -0.30950 -1.0 2.0
   53    51    52    63   0.27300  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    51    52    33   0.56750  1.0 1.0
   57    51    52    33  -0.07550 -1.0 2.0
   57    51    52    33   0.20000  1.0 3.0
   57    51    52    61   0.34400  1.0 1.0
   57    51    52    61   0.09450 -1.0 2.0
   57    51    52    61   0.11100  1.0 3.0
   57    51    52    63   0.62750  1.0 1.0
   57    51    52    63  -0.30950 -1.0 2.0
   57    51    52    63   0.27300  1.0 3.0
   57    51    53    54   0.15000  1.0 3.0
   57    51    53    55   0.15000  1.0 3.0
   57    51    53    56   0.15000  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    51   0.86500  1.0 1.0
   49    44    46    51  -0.17500 -1.0 2.0
   49    44    46    51   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    52    51   0.56750  1.0 1.0
   40    33    52    51  -0.07550 -1.0 2.0
   40    33    52    51   0.20000  1.0 3.0
   40    33    52    61   0.34400  1.0 1.0
   40    33    52    61   0.09450 -1.0 2.0
   40    33    52    61   0.11100  1.0 3.0
   40    33    52    63   0.62750  1.0 1.0
   40    33    52    63  -0.30950 -1.0 2.0
   40    33    52    63   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   52    62    61    64   1.10000 -1.0 2.0
   66    65    64    61   1.10000 -1.0 2.0
   64    69    66    67   1.10000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
END
