* LIGAND DATABASE FILE (OPLS2005)
*
001      76    75    130    186     377
    1     0 S   NP   _N1_     1    29.15743    95.51585   -23.95253
    2     1 S   H    _HN1     2     1.02782   109.03828   -95.72256
    3     1 S   H    _H1_     3     1.02953    76.91677     9.46417
    4     1 S   H    _H2_     4     1.02826    31.78457   170.76682
    5     1 S   CT   _CA1     5     1.50138   132.46462   115.21159
    6     5 S   HC   _HA1     6     1.09575   105.17814    86.84330
    7     5 S   CO3  _C1_     7     1.53788   112.49466   -33.31827
    8     7 S   O2Z  _O11     8     1.26371   115.00663   -40.77619
    9     7 S   O2Z  _O12     9     1.26244   114.95925   138.29807
   10     5 S   CT   _CB1    10     1.53068   107.38706  -155.20191
   11    10 S   HC   HB11    11     1.09834   109.30894   -49.76699
   12    10 S   HC   HB12    12     1.09817   110.44020    66.80620
   13    10 S   CT   _CG1    13     1.52999   112.67982  -170.78975
   14    13 S   HC   HG11    14     1.09581   110.58650   -66.22879
   15    13 S   HC   HG12    15     1.09669   109.84153    53.04059
   16    13 S   C    _CD1    16     1.51791   112.21463   173.40002
   17    16 S   O    _OE1    17     1.22705   123.21849     5.04881
   18    16 S   N    _N2_    18     1.38630   111.68105  -174.88289
   19    18 S   H    _HN2    19     1.01571   118.92303     1.46206
   20    18 S   CT1  _CA2    20     1.46120   123.41092   177.54393
   21    20 S   HC   _HA2    21     1.09442   109.14148     0.86185
   22    20 S   C    _C2_    22     1.53430   108.58610  -114.09477
   23    22 S   O    _O2_    23     1.23048   122.39385  -145.38112
   24    20 S   CT   _CB2    32     1.53192   111.53456   123.18548
   25    24 S   HC   HB21    33     1.09635   109.85631    55.36568
   26    24 S   HC   HB22    34     1.09548   111.32666   173.26262
   27    22 S   N    _N3_    24     1.38339   113.53544    42.15032
   28    27 S   H    _HN3    25     1.01597   119.54097    -2.64094
   29    24 S   S    _SG2    35     1.82805   113.49122   -64.50610
   30    27 S   CT   _CA3    26     1.45251   123.16452   176.44780
   31    30 S   HC   HA31    27     1.09557   107.37606   -66.76332
   32    30 S   HC   HA32    28     1.09555   108.10636    49.66154
   33    29 S   CT   _C18    36     1.82082    99.31958   -73.11717
   34    33 S   HC   _H21    37     1.09084   108.85442    63.63335
   35    33 S   HC   _H22    38     1.09471   109.04311   -54.27475
   36    30 S   CO3  _C3_    29     1.52943   114.14879   171.76715
   37    36 S   O2Z  _O31    30     1.26367   116.11411    -1.68714
   38    36 S   O2Z  _O32    31     1.26445   114.38488   178.43464
   39    33 S   CM   _C17    39     1.50091   109.71666  -173.11975
   40    39 S   HC   _H20    40     1.09127   114.97220    58.43798
   41    39 S   CMA  _C16    41     1.35542   127.07409  -123.80810
   42    41 S   OM   _O38    42     1.26729   124.29394  -179.82417
   43    41 S   OS   _O37    43     1.41382   112.71947     2.51933
   44    43 S   CT   _C15    44     1.43477   111.82013  -114.06499
   45    44 S   HC   _H18    45     1.09833   109.08364    57.14160
   46    44 S   HC   _H19    46     1.09678   110.15395   -60.64711
   47    44 S   CT   _C6_    47     1.55196   110.07898   178.01989
   48    47 S   CT   _C5_    48     1.55859   111.49615    58.85963
   49    48 S   HC   _H6_    49     1.09780   109.49783   -61.48823
   50    48 S   HC   _H7_    50     1.09777   109.52685  -176.93823
   51    47 S   CT   _C7_    55     1.55487   110.20699   -59.05684
   52    51 S   HC   _H8_    56     1.09721   110.44123  -176.88115
   53    51 S   HC   _H9_    57     1.09600   110.33573    63.69564
   54    47 S   CT   _C11    66     1.54969   107.49327  -178.45896
   55    54 S   HC   _H13    67     1.09723   110.46388    61.65997
   56    54 S   HC   _H14    68     1.09647   110.68630   -57.71689
   57    48 S   CT   _C4_    51     1.52377   115.82665    60.78813
   58    57 S   HC   _H3_    52     1.09336   111.74619    60.78980
   59    57 S   HC   _H4_    53     1.09527   109.66391   179.72375
   60    57 S   HC   _H5_    54     1.09329   111.76362   -61.36583
   61    51 S   OS   _O33    58     1.43769   110.57936   -56.13655
   62    54 S   OS   _O35    69     1.43773   110.16163  -178.21053
   63    61 S   CO4  _C8_    59     1.35911   115.37027  -177.04117
   64    63 S   O    _O34    60     1.22040   127.01760     2.84936
   65    62 S   CO4  _C12    70     1.35866   115.61630  -179.81443
   66    65 S   O    _O36    71     1.22044   127.00241    -0.02798
   67    63 S   CM   _C9_    61     1.47690   107.63780  -176.42582
   68    67 S   HC   _H10    62     1.08397   118.92573    -2.90259
   69    65 S   CM   _C13    72     1.47749   107.56582   179.95577
   70    69 S   HC   _H15    73     1.08412   118.88146    -0.07402
   71    67 S   CM   _C10    63     1.33649   120.07408   176.65268
   72    71 S   HC   _H11    64     1.08485   120.21301  -179.67374
   73    71 S   HC   _H12    65     1.08519   122.34479     0.05595
   74    69 S   CM   _C14    74     1.33652   120.19155   179.93744
   75    74 S   HC   _H16    75     1.08500   120.17015   179.97202
   76    74 S   HC   _H17    76     1.08493   122.33989    -0.00000
  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   6   5   4   3
   7   4   3   2   1   1   5   3   6   2   7  15   5   4  17  14
   7   6  11   4   3   8   3   2   3   2   1   1   5   5   6   3
   6   3   4   3   4   3   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    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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44  
   41    42    43  
   42    43    44    45    46    47  
   43    44  
   44    45    46    47    48    51    54  
   45    46    47    48    49    50    57    51    52    53    61    54    55    56    62  
   46    47    48    51    54  
   47    48    51    54  
   48    49    50    57    58    59    60    51    52    53    61    63    54    55    56    62    65  
   49    50    57    58    59    60    51    52    53    61    54    55    56    62  
   50    57    58    59    60    51    54  
   57    58    59    60    51    54  
   52    53    61    63    64    67    54    55    56    62    57  
   53    61    63    54  
   61    63    54  
   55    56    62    65    66    69    57    61  
   56    62    65  
   62    65  
   58    59    60  
   59    60  
   60  
    0  
   63    64    67    68    71  
   65    66    69    70    74  
   64    67    68    71    72    73  
   67    68    71  
   66    69    70    74    75    76  
   69    70    74  
   68    71    72    73  
   71    72    73  
   70    74    75    76  
   74    75    76  
   72    73  
   73  
    0  
   75    76  
   76  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   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    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   317.000  1.510
   39    40   340.000  1.080
   39    41   465.000  1.376
   41    42   745.000  1.250
   41    43   440.000  1.360
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    51   268.000  1.529
   47    54   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   320.000  1.410
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    67   320.000  1.462
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    72   340.000  1.080
   71    73   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   320.000  1.410
   62    65   214.000  1.327
   65    66   570.000  1.229
   65    69   320.000  1.462
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    75   340.000  1.080
   74    76   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  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  137.10300
   39    41    43    80.00000  120.01400
   41    39    40    40.00000  120.50800
   41    43    44    90.00000  111.18400
   43    41    42    65.00000  121.00000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    51    58.35000  112.70000
   44    47    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    57    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    50.00000  109.50000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    62    50.00000  109.50000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    47    48    58.35000  112.70000
   51    61    63    83.00000  116.90000
   53    51    52    33.00000  107.80000
   61    51    52    35.00000  109.50000
   61    51    53    35.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    67    90.00000  111.29400
   63    67    68    40.00000  117.72500
   63    67    71    65.00000  118.96000
   67    63    64    80.00000  123.72100
   67    71    72    35.00000  120.00000
   67    71    73    35.00000  120.00000
   71    67    68    35.00000  120.00000
   73    71    72    35.00000  117.00000
   54    47    48    58.35000  112.70000
   54    47    51    58.35000  112.70000
   54    62    65    83.00000  116.90000
   56    54    55    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    56    35.00000  109.50000
   62    65    66    83.00000  123.40000
   62    65    69    90.00000  111.29400
   65    69    70    40.00000  117.72500
   65    69    74    65.00000  118.96000
   69    65    66    80.00000  123.72100
   69    74    75    35.00000  120.00000
   69    74    76    35.00000  120.00000
   74    69    70    35.00000  120.00000
   76    74    75    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    43   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44  -2.26850  1.0 1.0
   39    41    43    44   3.39050 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43    44    47  -0.46850  1.0 1.0
   41    43    44    47   0.09300 -1.0 2.0
   41    43    44    47  -0.12850  1.0 3.0
   42    41    43    44   2.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    51   0.62750  1.0 1.0
   43    44    47    51  -0.30950 -1.0 2.0
   43    44    47    51   0.27300  1.0 3.0
   43    44    47    54   0.62750  1.0 1.0
   43    44    47    54  -0.30950 -1.0 2.0
   43    44    47    54   0.27300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    57   0.56750  1.0 1.0
   44    47    48    57  -0.07550 -1.0 2.0
   44    47    48    57   0.20000  1.0 3.0
   44    47    51    52   0.15000  1.0 3.0
   44    47    51    53   0.15000  1.0 3.0
   44    47    51    61   0.62750  1.0 1.0
   44    47    51    61  -0.30950 -1.0 2.0
   44    47    51    61   0.27300  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56   0.15000  1.0 3.0
   44    47    54    62   0.62750  1.0 1.0
   44    47    54    62  -0.30950 -1.0 2.0
   44    47    54    62   0.27300  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   46    44    47    54   0.15000  1.0 3.0
   47    48    57    58   0.15000  1.0 3.0
   47    48    57    59   0.15000  1.0 3.0
   47    48    57    60   0.15000  1.0 3.0
   47    51    61    63  -0.25900  1.0 1.0
   47    51    61    63  -0.47000 -1.0 2.0
   47    51    61    63   0.11750  1.0 3.0
   47    54    62    65  -0.25900  1.0 1.0
   47    54    62    65  -0.47000 -1.0 2.0
   47    54    62    65   0.11750  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    61   0.62750  1.0 1.0
   48    47    51    61  -0.30950 -1.0 2.0
   48    47    51    61   0.27300  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    62   0.62750  1.0 1.0
   48    47    54    62  -0.30950 -1.0 2.0
   48    47    54    62   0.27300  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    60   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    60   0.15000  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    57   0.56750  1.0 1.0
   51    47    48    57  -0.07550 -1.0 2.0
   51    47    48    57   0.20000  1.0 3.0
   51    47    54    55   0.15000  1.0 3.0
   51    47    54    56   0.15000  1.0 3.0
   51    47    54    62   0.62750  1.0 1.0
   51    47    54    62  -0.30950 -1.0 2.0
   51    47    54    62   0.27300  1.0 3.0
   51    61    63    64   3.00000 -1.0 2.0
   51    61    63    67   2.00000 -1.0 2.0
   52    51    61    63   0.08050  1.0 3.0
   53    51    61    63   0.08050  1.0 3.0
   61    63    67    68   1.63100 -1.0 2.0
   61    63    67    71  -0.56150  1.0 1.0
   61    63    67    71   2.19150 -1.0 2.0
   63    67    71    72   7.00000 -1.0 2.0
   63    67    71    73   7.00000 -1.0 2.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    71   1.00000 -1.0 2.0
   68    67    71    72   7.00000 -1.0 2.0
   68    67    71    73   7.00000 -1.0 2.0
   54    47    48    49   0.15000  1.0 3.0
   54    47    48    50   0.15000  1.0 3.0
   54    47    48    57   0.56750  1.0 1.0
   54    47    48    57  -0.07550 -1.0 2.0
   54    47    48    57   0.20000  1.0 3.0
   54    47    51    52   0.15000  1.0 3.0
   54    47    51    53   0.15000  1.0 3.0
   54    47    51    61   0.62750  1.0 1.0
   54    47    51    61  -0.30950 -1.0 2.0
   54    47    51    61   0.27300  1.0 3.0
   54    62    65    66   3.00000 -1.0 2.0
   54    62    65    69   2.00000 -1.0 2.0
   55    54    62    65   0.08050  1.0 3.0
   56    54    62    65   0.08050  1.0 3.0
   62    65    69    70   1.63100 -1.0 2.0
   62    65    69    74  -0.56150  1.0 1.0
   62    65    69    74   2.19150 -1.0 2.0
   65    69    74    75   7.00000 -1.0 2.0
   65    69    74    76   7.00000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    74   1.00000 -1.0 2.0
   70    69    74    75   7.00000 -1.0 2.0
   70    69    74    76   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    43    41    39  15.00000 -1.0 2.0
   61    67    63    64  10.50000 -1.0 2.0
   63    68    67    71  15.00000 -1.0 2.0
   72    73    71    67  15.00000 -1.0 2.0
   62    69    65    66  10.50000 -1.0 2.0
   65    70    69    74  15.00000 -1.0 2.0
   75    76    74    69  15.00000 -1.0 2.0
END
