* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    28.26416    95.86929   -25.56888
    2     1 S   H    _HN1     2     1.02836    26.34141   173.61177
    3     1 S   H    _H1_     3     1.02778   115.66694  -108.09050
    4     1 S   H    _H2_     4     1.02957    80.81233    -2.09134
    5     1 S   CT   _CA1     5     1.50149   123.68136   106.35993
    6     5 S   HC   _HA1     6     1.09579   105.18715    85.19438
    7     5 S   CO3  _C1_     7     1.53750   112.26671   -34.93108
    8     7 S   O2Z  _O11     8     1.26364   114.99509   -45.78326
    9     7 S   O2Z  _O12     9     1.26222   114.89930   133.09119
   10     5 S   CT   _CB1    10     1.53065   107.39533  -156.98461
   11    10 S   HC   HB11    11     1.09834   109.23313   -50.65444
   12    10 S   HC   HB12    12     1.09814   110.47928    65.85348
   13    10 S   CT   _CG1    13     1.53055   112.73832  -171.70990
   14    13 S   HC   HG11    14     1.09589   110.55573   -66.02273
   15    13 S   HC   HG12    15     1.09659   109.88269    53.22466
   16    13 S   C    _CD1    16     1.51852   112.12460   173.52480
   17    16 S   O    _OE1    17     1.22784   123.20754     3.73780
   18    16 S   N    _N2_    18     1.38540   111.88883  -176.15335
   19    18 S   H    _HN2    19     1.01574   119.29460     2.71498
   20    18 S   CT1  _CA2    20     1.45831   122.68889   177.41200
   21    20 S   HC   _HA2    21     1.09743   108.76770    27.79584
   22    20 S   C    _C2_    22     1.52982   107.01236   -89.16870
   23    22 S   O    _O2_    23     1.22988   123.08774   -27.22756
   24    20 S   CT   _CB2    32     1.53268   112.47490   151.01545
   25    24 S   HC   HB21    33     1.09529   109.86295    55.00806
   26    24 S   HC   HB22    34     1.09403   109.41605   173.70801
   27    22 S   N    _N3_    24     1.38526   112.58336   155.29745
   28    27 S   H    _HN3    25     1.01657   120.34089    -1.62546
   29    24 S   S    _SG2    35     1.83195   110.68073   -66.20193
   30    27 S   CT   _CA3    26     1.45339   122.42156   178.64405
   31    30 S   HC   HA31    27     1.09571   107.68269   -58.32177
   32    30 S   HC   HA32    28     1.09567   107.71308    57.98047
   33    29 S   CT   _C11    36     1.86299   102.14894   179.22292
   34    33 S   OM   _O40    37     1.32069   109.14457   -60.38581
   35    30 S   CO3  _C3_    29     1.52872   114.39691   179.83449
   36    35 S   O2Z  _O31    30     1.26324   116.10013    -0.71464
   37    35 S   O2Z  _O32    31     1.26451   114.39339   179.31557
   38    33 S   CO4  _C10    38     1.52665   106.45288    57.62016
   39    38 S   O    _O33    39     1.23243   124.58739  -103.11059
   40    33 S   CT   _C12    51     1.59369   115.40502   176.37258
   41    40 S   HC   _H3_    52     1.09922   103.83577   176.14796
   42    38 S   CM   _C9_    40     1.49319   115.41312    74.09310
   43    40 S   CM   _C14    53     1.57125   112.77383    60.43748
   44    42 S   CM   _C4_    41     1.34223   116.32928  -149.03388
   45    44 S   HC   _H4_    42     1.08476   123.10409     0.84696
   46    43 S   CM   _C19    54     1.36058   125.98117    96.91317
   47    44 S   CO4  _C5_    43     1.48042   120.52267  -178.84123
   48    47 S   O    _O42    44     1.22615   121.25209  -179.34748
   49    46 S   CM   _C18    55     1.47565   121.86417  -172.99274
   50    47 S   CM   _C6_    45     1.47837   117.61485     1.14671
   51    50 S   HC   _H5_    46     1.08394   117.39790   178.77507
   52    49 S   CM   _C17    56     1.46600   118.06955   -17.78105
   53    49 S   CMA  _C23    63     1.36196   119.26186   162.02545
   54    53 S   OM   _O36    64     1.26485   131.94278   179.05167
   55    50 S   CM   _C7_    47     1.33862   120.94278    -1.25336
   56    52 S   CM   _C16    57     1.33258   120.57311    14.00302
   57    56 S   HC   _H6_    58     1.08395   121.57762   178.44216
   58    52 S   OH   _O38    61     1.38309   120.01119  -166.80351
   59    58 S   HO   _H8_    62     0.97512   107.67113    -4.11780
   60    53 S   CM   _C22    65     1.46559   118.64563    -4.12654
   61    60 S   HC   _H7_    66     1.09348   116.88256  -164.96058
   62    42 S   CM   _C8_    48     1.46556   121.18908    31.07349
   63    43 S   CO4  _C15    59     1.51866   116.83483   -84.21016
   64    63 S   O    _O39    60     1.22840   123.63803     2.62070
   65    60 S   CMA  _C21    67     1.34835   126.70360    15.36979
   66    65 S   OM   _O37    68     1.26320   130.04107   178.27331
   67    55 S   OH   _O41    71     1.38462   118.49468  -179.49759
   68    67 S   HO   _H9_    72     0.97554   107.60587  -179.70525
   69    62 S   CMA  _C13    49     1.36797   120.46445     0.46478
   70    69 S   OM   _O34    50     1.26944   128.95274   169.23608
   71    46 S   CO4  _C20    69     1.50720   121.95023     8.77832
   72    71 S   O    _O35    70     1.22942   122.12188    36.78990
  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   9   5   4   3
  13   7   2   1   1  11   4  13   6  10  14   8   4  14   6   3
  13   6   3  10   8   3   5   5   3   2   1   5   3   4   3   1
   3   2   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    62    69    70    40    41    43    46    63  
   38    39    42    69    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    47    55    62    69    40    41    43  
   42    44    62    40  
   41    43    46    49    56    63    64    71    42    55    62    69    70  
   43    46    63    62    69    70  
   44    45    47    48    50    55    62    69    70    67  
   46    49    52    56    57    63    64    53    65    71    72    62    69    70  
   45    47    48    50    51    55    62    69  
   47    48    50    62  
   49    52    56    63    64    58    53    54    60    65    66    71    72    69  
   48    50    51    55    62    67  
   50    51    55  
   52    56    57    63    58    59    53    54    60    61    65    71    72  
   51    55    62    69    67    68  
   55    62    67  
   56    57    63    64    58    59    53    54    60    71  
   54    60    61    65    66    71    56    58  
   60    61    65  
   62    69    70    67    68  
   57    63    64    58    59  
   63    64    58  
   59    63  
    0  
   61    65    66    71    72  
   65    66    71  
   69    70    67    68  
   64    71    69  
    0  
   66    71    72  
   71    72  
   68    69  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   320.000  1.462
   42    44   549.000  1.340
   42    62   380.000  1.444
   44    45   340.000  1.080
   44    47   320.000  1.462
   47    48   570.000  1.229
   47    50   320.000  1.462
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    62   380.000  1.444
   55    67   510.000  1.338
   62    69   465.000  1.376
   69    70   745.000  1.250
   69    40   270.000  1.512
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   549.000  1.340
   43    63   320.000  1.462
   46    49   380.000  1.444
   46    71   320.000  1.462
   49    52   380.000  1.444
   49    53   465.000  1.376
   52    56   549.000  1.340
   52    58   510.000  1.338
   56    57   340.000  1.080
   56    63   320.000  1.462
   63    64   570.000  1.229
   58    59   553.000  0.945
   53    54   745.000  1.250
   53    60   465.000  1.376
   60    61   340.000  1.080
   60    65   465.000  1.376
   65    66   745.000  1.250
   65    71   270.000  1.476
   71    72   570.000  1.229
   67    68   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  118.62400
   33    40    69    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    65.00000  118.96000
   38    42    62    65.00000  118.96000
   42    38    39    80.00000  123.72100
   42    44    45    35.00000  120.00000
   42    44    47    65.00000  118.96000
   42    62    55    70.00000  123.01800
   42    62    69    70.00000  117.34000
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  118.65900
   47    44    45    40.00000  117.72500
   47    50    51    40.00000  117.72500
   47    50    55    65.00000  118.96000
   50    47    48    80.00000  123.72100
   50    55    62    70.00000  123.01800
   50    55    67    80.00000  121.38400
   55    50    51    35.00000  120.00000
   55    62    69    70.00000  117.34000
   55    67    68    70.00000  107.45700
   62    42    44    70.00000  123.01800
   62    69    70    65.00000  137.10300
   62    69    40    65.00000  122.18000
   69    40    41    45.00000  110.52000
   69    40    43    70.00000  110.12100
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    69    70    85.00000  112.85300
   40    43    46    70.00000  124.00000
   40    43    63    65.00000  116.34900
   43    40    41    35.00000  109.50000
   43    46    49    70.00000  123.01800
   43    46    71    65.00000  118.96000
   43    63    56    65.00000  118.65900
   43    63    64    80.00000  123.72100
   46    49    52    70.00000  123.01800
   46    49    53    70.00000  117.34000
   46    71    65    65.00000  118.65900
   46    71    72    80.00000  123.72100
   49    52    56    70.00000  123.01800
   49    52    58    80.00000  121.38400
   49    53    54    65.00000  137.10300
   49    53    60    70.00000  123.01800
   52    56    57    35.00000  120.00000
   52    56    63    65.00000  118.96000
   52    58    59    70.00000  107.45700
   56    63    64    80.00000  123.72100
   63    43    46    65.00000  118.96000
   63    56    57    40.00000  117.72500
   58    52    56    80.00000  121.38400
   53    49    52    70.00000  117.34000
   53    60    61    40.00000  120.50800
   53    60    65    70.00000  117.34000
   60    53    54    65.00000  137.10300
   60    65    66    65.00000  137.10300
   60    65    71    65.00000  114.61000
   65    60    61    40.00000  120.50800
   65    71    72    80.00000  120.81000
   71    46    49    65.00000  118.96000
   71    65    66    85.00000  116.28000
   67    55    62    80.00000  121.38400
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    69   0.56750  1.0 1.0
   29    33    40    69  -0.07550 -1.0 2.0
   29    33    40    69   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44  -0.33500  1.0 1.0
   33    38    42    44   1.06600 -1.0 2.0
   33    38    42    44  -0.14000  1.0 3.0
   33    38    42    62  -0.33500  1.0 1.0
   33    38    42    62   1.06600 -1.0 2.0
   33    38    42    62  -0.14000  1.0 3.0
   33    40    43    46   0.09850  1.0 1.0
   33    40    43    46   0.15250 -1.0 2.0
   33    40    43    46  -0.50650  1.0 3.0
   33    40    43    63   0.09700  1.0 1.0
   33    40    43    63   0.15600 -1.0 2.0
   33    40    43    63  -0.50800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    69   0.61850  1.0 1.0
   34    33    40    69  -0.22750 -1.0 2.0
   34    33    40    69   0.15300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    69  -0.98800  1.0 1.0
   38    33    40    69   0.48800 -1.0 2.0
   38    33    40    69   0.76800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   7.00000 -1.0 2.0
   38    42    44    47   7.00000 -1.0 2.0
   38    42    62    55  -0.18600  1.0 3.0
   38    42   -62    69  -0.18600  1.0 3.0
   39    38    42    44   1.00000 -1.0 2.0
   39    38    42    62   1.00000 -1.0 2.0
   42    44    47    48   1.00000 -1.0 2.0
   42    44    47    50  -1.18350  1.0 1.0
   42    44    47    50   1.45950 -1.0 2.0
   42    62    69    70   7.00000 -1.0 2.0
   42    62    69    40   7.00000 -1.0 2.0
   44    42    62    55   0.28850  1.0 1.0
   44    42    62    55   2.61350 -1.0 2.0
   44    42    62    55   0.78400  1.0 3.0
   44    42    62    69   0.28850  1.0 1.0
   44    42    62    69   2.61350 -1.0 2.0
   44    42    62    69   0.78400  1.0 3.0
   44    47    50    51   0.93700 -1.0 2.0
   44    47   -50    55  -1.18350  1.0 1.0
   44    47   -50    55   1.45950 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    50   0.93700 -1.0 2.0
   47    50    55    62   7.00000 -1.0 2.0
   47    50    55    67   7.00000 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    55   1.00000 -1.0 2.0
   50    55   -62    42   0.28850  1.0 1.0
   50    55   -62    42   2.61350 -1.0 2.0
   50    55   -62    42   0.78400  1.0 3.0
   50    55    62    69   0.28850  1.0 1.0
   50    55    62    69   2.61350 -1.0 2.0
   50    55    62    69   0.78400  1.0 3.0
   50    55    67    68  -0.66100  1.0 1.0
   50    55    67    68   1.20850 -1.0 2.0
   50    55    67    68  -0.36000  1.0 3.0
   51    50    55    62   7.00000 -1.0 2.0
   51    50    55    67   7.00000 -1.0 2.0
   55    62    69    70   7.00000 -1.0 2.0
   55    62    69    40   7.00000 -1.0 2.0
   62    42    44    45   7.00000 -1.0 2.0
   62    42   -44    47   7.00000 -1.0 2.0
   62    55    67    68  -0.66100  1.0 1.0
   62    55    67    68   1.20850 -1.0 2.0
   62    55    67    68  -0.36000  1.0 3.0
   62    69   -40    33   0.09850  1.0 1.0
   62    69   -40    33   0.15250 -1.0 2.0
   62    69   -40    33  -0.50650  1.0 3.0
   62    69    40    41   0.00000  1.0 1.0
   62    69    40    43  -0.28300  1.0 1.0
   62    69    40    43   0.26700 -1.0 2.0
   62    69    40    43  -0.63300  1.0 3.0
   69    40    43    46  -0.28300  1.0 1.0
   69    40    43    46   0.26700 -1.0 2.0
   69    40    43    46  -0.63300  1.0 3.0
   69    40    43    63   0.09700  1.0 1.0
   69    40    43    63   0.15600 -1.0 2.0
   69    40    43    63  -0.50800  1.0 3.0
   70    69    40    33   0.09700  1.0 1.0
   70    69    40    33   0.15600 -1.0 2.0
   70    69    40    33  -0.50800  1.0 3.0
   70    69    40    41   0.00000  1.0 1.0
   70    69    40    43   0.09700  1.0 1.0
   70    69    40    43   0.15600 -1.0 2.0
   70    69    40    43  -0.50800  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   40    43    46    49   7.00000 -1.0 2.0
   40    43    46    71   7.00000 -1.0 2.0
   40    43    63    56   1.50000 -1.0 2.0
   40    43    63    64  -0.64400  1.0 1.0
   40    43    63    64   0.26850 -1.0 2.0
   41    40    43    46   0.00000  1.0 1.0
   41    40    43    63   0.15000  1.0 3.0
   43    46    49    52   0.28850  1.0 1.0
   43    46    49    52   2.61350 -1.0 2.0
   43    46    49    52   0.78400  1.0 3.0
   43    46    49    53   0.28850  1.0 1.0
   43    46    49    53   2.61350 -1.0 2.0
   43    46    49    53   0.78400  1.0 3.0
   43    46    71    65  -1.18350  1.0 1.0
   43    46    71    65   1.45950 -1.0 2.0
   43    46    71    72   1.00000 -1.0 2.0
   46    43    63    56  -1.18350  1.0 1.0
   46    43    63    56   1.45950 -1.0 2.0
   46    43    63    64   1.00000 -1.0 2.0
   46    49   -52    56   0.28850  1.0 1.0
   46    49   -52    56   2.61350 -1.0 2.0
   46    49   -52    56   0.78400  1.0 3.0
   46    49    52    58   0.50950  1.0 1.0
   46    49    52    58   0.56650 -1.0 2.0
   46    49    52    58   0.34050  1.0 3.0
   46    49    53    54   7.00000 -1.0 2.0
   46    49    53    60   7.00000 -1.0 2.0
   49    46    71    65  -1.18350  1.0 1.0
   49    46    71    65   1.45950 -1.0 2.0
   49    46    71    72   1.00000 -1.0 2.0
   49    52    56    57   7.00000 -1.0 2.0
   49    52    56    63   7.00000 -1.0 2.0
   49    52    58    59  -0.66100  1.0 1.0
   49    52    58    59   1.20850 -1.0 2.0
   49    52    58    59  -0.36000  1.0 3.0
   49    53    60    61   7.00000 -1.0 2.0
   49    53   -60    65   7.00000 -1.0 2.0
   52    49    53    54   7.00000 -1.0 2.0
   52    49    53    60   7.00000 -1.0 2.0
   52    56   -63    43  -1.18350  1.0 1.0
   52    56   -63    43   1.45950 -1.0 2.0
   52    56    63    64   1.00000 -1.0 2.0
   56    52    58    59  -0.66100  1.0 1.0
   56    52    58    59   1.20850 -1.0 2.0
   56    52    58    59  -0.36000  1.0 3.0
   57    56    63    43   0.93700 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   63    43   -46    49   7.00000 -1.0 2.0
   63    43    46    71   7.00000 -1.0 2.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    63   7.00000 -1.0 2.0
   53    49    52    56   0.28850  1.0 1.0
   53    49    52    56   2.61350 -1.0 2.0
   53    49    52    56   0.78400  1.0 3.0
   53    49    52    58   0.50950  1.0 1.0
   53    49    52    58   0.56650 -1.0 2.0
   53    49    52    58   0.34050  1.0 3.0
   53    60    65    66   7.00000 -1.0 2.0
   53    60    65    71   7.00000 -1.0 2.0
   54    53    60    61   7.00000 -1.0 2.0
   54    53    60    65   7.00000 -1.0 2.0
   60    65   -71    46  -1.18350  1.0 1.0
   60    65   -71    46   1.45950 -1.0 2.0
   60    65    71    72   1.00000 -1.0 2.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    71   7.00000 -1.0 2.0
   66    65    71    46   1.50000 -1.0 2.0
   66    65    71    72  -0.11900  1.0 1.0
   66    65    71    72   0.76850 -1.0 2.0
   66    65    71    72   0.14100  1.0 3.0
   71    46    49    52  -0.18600  1.0 3.0
   71    46   -49    53  -0.18600  1.0 3.0
   67    55    62    42   0.50950  1.0 1.0
   67    55    62    42   0.56650 -1.0 2.0
   67    55    62    42   0.34050  1.0 3.0
   67    55    62    69   0.50950  1.0 1.0
   67    55    62    69   0.56650 -1.0 2.0
   67    55    62    69   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   38    62    42    44   1.10000 -1.0 2.0
   47    45    44    42   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   47    51    50    55   1.10000 -1.0 2.0
   62    67    55    50   1.10000 -1.0 2.0
   42    55    62    69   1.10000 -1.0 2.0
   40    70    69    62   1.10000 -1.0 2.0
   40    63    43    46   1.10000 -1.0 2.0
   49    71    46    43   1.10000 -1.0 2.0
   46    52    49    53   1.10000 -1.0 2.0
   49    58    52    56   1.10000 -1.0 2.0
   63    57    56    52   1.10000 -1.0 2.0
   43    56    63    64  10.50000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   53    61    60    65   1.10000 -1.0 2.0
   71    66    65    60   1.10000 -1.0 2.0
   46    65    71    72  10.50000 -1.0 2.0
END
