* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    220     407
    1     0 S   NP   _N1_     1    31.68908    96.32216   -15.23123
    2     1 S   H    _HN1     2     1.03324    44.36522   129.48091
    3     1 S   H    _H1_     3     1.03350    84.66011     9.35845
    4     1 S   H    _H2_     4     1.02841   150.26921   126.09442
    5     1 S   CT   _CA1     5     1.49470    86.67859  -103.42581
    6     5 S   HC   _HA1     6     1.09585   105.35190    24.29823
    7     5 S   CO3  _C1_     7     1.53939   112.45238   -95.98909
    8     7 S   O2Z  _O11     8     1.26372   115.43407   -62.45187
    9     7 S   O2Z  _O12     9     1.26335   114.83096   117.74476
   10     5 S   CT   _CB1    10     1.53286   107.48970   141.86051
   11    10 S   HC   HB11    11     1.09826   109.82808   -51.78710
   12    10 S   HC   HB12    12     1.09742   110.25652    64.44701
   13    10 S   CT   _CG1    13     1.53057   112.34959  -172.70082
   14    13 S   HC   HG11    14     1.09591   111.37897   -57.30748
   15    13 S   HC   HG12    15     1.09604   110.38133    61.62275
   16    13 S   C    _CD1    16     1.51470   111.06259  -178.11011
   17    16 S   O    _OE1    17     1.22796   121.80677  -103.67266
   18    16 S   N    _N2_    18     1.38442   112.71659    76.15523
   19    18 S   H    _HN2    19     1.01618   118.94362     1.00054
   20    18 S   CT1  _CA2    20     1.46343   123.65899  -179.26618
   21    20 S   HC   _HA2    21     1.09736   109.38075   -11.24983
   22    20 S   C    _C2_    22     1.53425   108.28400  -126.83918
   23    22 S   O    _O2_    23     1.23009   122.32205  -146.27024
   24    20 S   CT   _CB2    32     1.53497   111.17026   110.97214
   25    24 S   HC   HB21    33     1.09341   109.11667    54.49733
   26    24 S   HC   HB22    34     1.09501   110.69297   172.91640
   27    22 S   N    _N3_    24     1.38546   113.40414    41.25730
   28    27 S   H    _HN3    25     1.01515   118.94785    -0.55813
   29    24 S   S    _SG2    35     1.83202   110.86473   -68.18274
   30    27 S   CT   _CA3    26     1.45421   123.24742   175.28744
   31    30 S   HC   HA31    27     1.09540   108.95531    29.25023
   32    30 S   HC   HA32    28     1.09489   107.17213   146.19874
   33    29 S   CT   _C13    36     1.86654   102.21397   149.63026
   34    30 S   CO3  _C3_    29     1.52941   113.40306   -94.03838
   35    34 S   O2Z  _O31    30     1.26383   115.55904   -41.34137
   36    34 S   O2Z  _O32    31     1.26383   114.88918   139.65693
   37    33 S   CM   _C14    37     1.50295   107.66892   -65.78239
   38    37 S   HC   _H14    38     1.08772   118.31076   -59.89963
   39    33 S   CT   _C12    47     1.55508   105.57817   176.63716
   40    39 S   HC   _H12    48     1.09891   109.61375   -56.50886
   41    39 S   HC   _H13    49     1.10063   108.01880    57.29825
   42    37 S   CM   _C15    39     1.33488   123.28191   121.25035
   43    42 S   HC   _H15    40     1.08400   121.24079   179.32420
   44    39 S   CT1  _C11    50     1.54555   115.41612   179.19887
   45    44 S   HC   _H4_    51     1.09519   111.40474   -31.23324
   46    42 S   CO4  _C16    41     1.48289   121.28695    -1.08769
   47    46 S   O    _O33    42     1.23147   117.93102  -179.48871
   48    44 S   CO3  _C19    52     1.54510   114.99782    91.67520
   49    48 S   O2Z  _O36    53     1.26387   116.23409    37.15097
   50    48 S   O2Z  _O35    54     1.26559   114.67148  -144.14914
   51    44 S   NE   _N5_    55     1.46457   108.79929  -151.75316
   52    51 S   H    _H11    56     1.01732   116.57437   -86.68112
   53    46 S   CMA  _C17    43     1.52081   119.34044     0.16902
   54    53 S   OM   _O34    44     1.26245   115.31237  -179.24101
   55    51 S   CM   _C10    57     1.37651   126.47048    78.12195
   56    55 S   HC   _H10    58     1.08508   110.09173  -165.17436
   57    33 S   CM   _C18    45     1.50570   108.75043    56.93943
   58    57 S   HC   _H16    46     1.09187   115.33410    60.32501
   59    55 S   CM   _C9_    59     1.34115   128.80871    13.52066
   60    59 S   HC   _H9_    60     1.08772   118.03914     4.00399
   61    59 S   CM   _C8_    61     1.45522   126.95320  -174.80786
   62    61 S   CM   _C7_    62     1.34718   119.78069  -170.97337
   63    62 S   HC   _H8_    63     1.08632   121.15609     2.04890
   64    62 S   CM   _C6_    64     1.44336   121.56356  -177.30361
   65    64 S   NE   _N4_    65     1.37421   119.20634     7.23365
   66    65 S   H    _H7_    66     1.01579   115.57772   172.97150
   67    64 S   CMA  _C20    75     1.51862   118.83029   179.77358
   68    67 S   OM   _O38    76     1.26382   121.35081    56.12240
   69    67 S   OM   _O37    77     1.26487   120.26394  -123.98421
   70    65 S   CT1  _C5_    67     1.45186   123.89621     8.59546
   71    70 S   HC   _H3_    68     1.09734   108.91465  -147.75249
   72    61 S   CT   _C4_    69     1.51919   119.89309    11.59503
   73    72 S   HC   _H5_    70     1.09852   107.35587   -82.34328
   74    72 S   HC   _H6_    71     1.09702   110.66257    33.75038
   75    70 S   CO3  _C21    72     1.54281   106.20191    96.64629
   76    75 S   O2Z  _O40    73     1.26492   116.61706   -88.87232
   77    75 S   O2Z  _O39    74     1.26642   114.56680    91.06822
  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  11   5   4   3
  16   2   1   1  12   5  14   6   5   6   3  10   6   5   3   5
   2   1   6   3   3   2   6   3   1   1   9   3  11  11   4   9
  12   5   3   1   1   7   6   5   2   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    57    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    53    54    57    58    39    40    41    44    45    48    51  
   35    36  
   36  
    0  
   38    42    43    46    47    53    57    58    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    49    50    51    52    55    42    53    57    58  
   41    44    45    48    51    57  
   44    45    48    51    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    50    51    52    55    56    59    57  
   48    49    50    51    52    55  
   47    53    54    57    58  
   53    54    57  
   49    50    51    52    55  
   50    51  
   51  
   52    55    56    59    60    61  
   55    56    59  
   54    57    58  
   57    58  
   56    59    60    61    62    72  
   59    60    61  
   58  
    0  
   60    61    62    63    64    70    72    73    74  
   61    62    72  
   62    63    64    65    70    71    72    73    74    75    67  
   63    64    65    66    70    72    73    74    67    68    69  
   64    65    72    67  
   65    66    70    71    72    75    67    68    69  
   66    70    71    72    73    74    75    76    77    67    68    69  
   70    71    72    75    67  
   68    69    70  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
   77  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.375100   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  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   65   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   69   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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   317.000  1.510
   33    57   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    53   270.000  1.476
   53    54   745.000  1.250
   53    57   465.000  1.376
   57    58   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   317.000  1.522
   44    51   382.000  1.448
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   434.000  1.010
   51    55   425.000  1.378
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   549.000  1.340
   61    72   317.000  1.510
   62    63   340.000  1.080
   62    64   380.000  1.444
   64    65   425.000  1.378
   64    67   465.000  1.376
   65    66   434.000  1.010
   65    70   382.000  1.448
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   75    76   656.000  1.250
   75    77   656.000  1.250
   67    68   745.000  1.250
   67    69   745.000  1.250
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  112.20000
   29    33    57    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    53    70.00000  124.00000
   33    57    58    35.00000  117.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  118.65900
   46    42    43    40.00000  117.72500
   46    53    54    85.00000  116.28000
   46    53    57    65.00000  114.61000
   53    46    47    80.00000  120.81000
   53    57    58    40.00000  120.50800
   57    33    37    70.00000  110.12100
   57    53    54    65.00000  137.10300
   39    33    37    70.00000  112.02700
   39    33    57    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    63.00000  111.10000
   39    44    51    80.00000  111.61500
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   44    51    52    35.00000  112.50000
   44    51    55    50.00000  121.00000
   48    44    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    48    63.00000  110.10000
   51    55    56    50.00000  112.30800
   51    55    59    70.00000  124.03900
   55    51    52    35.00000  114.50000
   55    59    60    35.00000  120.00000
   55    59    61    70.00000  123.01800
   59    55    56    35.00000  120.00000
   59    61    62    70.00000  123.01800
   59    61    72    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    72    70    70.00000  112.02700
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   62    64    65    70.00000  124.03900
   62    64    67    70.00000  117.34000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  114.50000
   64    65    70    50.00000  121.00000
   64    67    68    65.00000  137.10300
   64    67    69    65.00000  137.10300
   65    70    71    35.00000  109.50000
   65    70    72    80.00000  111.61500
   65    70    75    63.00000  110.10000
   70    65    66    35.00000  112.50000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    75    76    70.00000  117.00000
   70    75    77    70.00000  117.00000
   72    61    62    70.00000  124.00000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    63.00000  111.10000
   77    75    76    80.00000  126.00000
   67    64    65    70.00000  124.03900
   69    67    68    65.00000  121.00000
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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.42700  1.0 1.0
   29    33    57    53  -0.70350 -1.0 2.0
   29    33    57    53  -0.43150  1.0 3.0
   29    33    57    58   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48  -0.84850  1.0 1.0
   33    39    44    48  -0.22800 -1.0 2.0
   33    39    44    48   0.29250  1.0 3.0
   33    39    44    51   1.26750  1.0 1.0
   33    39    44    51  -0.00950 -1.0 2.0
   33    39    44    51   0.30600  1.0 3.0
   37    33    57    53  -0.28300  1.0 1.0
   37    33    57    53   0.26700 -1.0 2.0
   37    33    57    53  -0.63300  1.0 3.0
   37    33    57    58   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    53  -1.18350  1.0 1.0
   37    42   -46    53   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    53    54   1.50000 -1.0 2.0
   42    46    53    57  -1.18350  1.0 1.0
   42    46    53    57   1.45950 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.93700 -1.0 2.0
   46    53   -57    33   7.00000 -1.0 2.0
   46    53    57    58   7.00000 -1.0 2.0
   47    46    53    54  -0.11900  1.0 1.0
   47    46    53    54   0.76850 -1.0 2.0
   47    46    53    54   0.14100  1.0 3.0
   47    46    53    57   1.00000 -1.0 2.0
   54    53    57    33   7.00000 -1.0 2.0
   54    53    57    58   7.00000 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.28300  1.0 1.0
   57    33   -37    42   0.26700 -1.0 2.0
   57    33   -37    42  -0.63300  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.34400  1.0 1.0
   57    33    39    44   0.09450 -1.0 2.0
   57    33    39    44   0.11100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    53   0.09850  1.0 1.0
   39    33    57    53   0.15250 -1.0 2.0
   39    33    57    53  -0.50650  1.0 3.0
   39    33    57    58   0.00000  1.0 1.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    51    52   0.00000  1.0 1.0
   39    44    51    55   0.25450  1.0 1.0
   39    44    51    55  -0.61700 -1.0 2.0
   39    44    51    55  -0.23550  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48  -0.03800  1.0 3.0
   40    39    44    51   0.22950  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48  -0.03800  1.0 3.0
   41    39    44    51   0.22950  1.0 3.0
   44    51    55    56   0.00000  1.0 1.0
   44    51    55    59  -0.54700  1.0 1.0
   44    51    55    59   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    55   0.00000  1.0 1.0
   48    44    51    52   0.00000  1.0 1.0
   48    44    51    55  -0.12500  1.0 1.0
   48    44    51    55  -0.12500 -1.0 2.0
   48    44    51    55   0.25000  1.0 3.0
   51    44    48    49   0.00000  1.0 1.0
   51    44    48    50   0.00000  1.0 1.0
   51    55    59    60   7.00000 -1.0 2.0
   51    55    59    61   7.00000 -1.0 2.0
   52    51    55    56   1.00000 -1.0 2.0
   52    51    55    59   1.00000 -1.0 2.0
   55    59    61    62   0.28850  1.0 1.0
   55    59    61    62   2.61350 -1.0 2.0
   55    59    61    62   0.78400  1.0 3.0
   55    59    61    72  -0.18600  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    61   7.00000 -1.0 2.0
   59    61    62    63   7.00000 -1.0 2.0
   59    61    62    64   7.00000 -1.0 2.0
   59    61    72    70   0.98200  1.0 1.0
   59    61    72    70  -0.11900 -1.0 2.0
   59    61    72    70   0.24250  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   60    59    61    62  -0.18600  1.0 3.0
   60    59    61    72   0.00000  1.0 1.0
   61    62    64    65  -0.18600  1.0 3.0
   61    62    64    67   0.28850  1.0 1.0
   61    62    64    67   2.61350 -1.0 2.0
   61    62    64    67   0.78400  1.0 3.0
   62    61    72    70   0.09850  1.0 1.0
   62    61    72    70   0.15250 -1.0 2.0
   62    61    72    70  -0.50650  1.0 3.0
   62    61    72    73   0.00000  1.0 1.0
   62    61    72    74   0.00000  1.0 1.0
   62    64    65    66   1.00000 -1.0 2.0
   62    64   -65    70  -0.54700  1.0 1.0
   62    64   -65    70   1.23000 -1.0 2.0
   62    64    67    68   7.00000 -1.0 2.0
   62    64    67    69   7.00000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67  -0.18600  1.0 3.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.25450  1.0 1.0
   64    65    70    72  -0.61700 -1.0 2.0
   64    65    70    72  -0.23550  1.0 3.0
   64    65    70    75  -0.12500  1.0 1.0
   64    65    70    75  -0.12500 -1.0 2.0
   64    65    70    75   0.25000  1.0 3.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    69   7.00000 -1.0 2.0
   65    70   -72    61   0.21700  1.0 1.0
   65    70   -72    61   0.68550 -1.0 2.0
   65    70   -72    61  -0.27950  1.0 3.0
   65    70    72    73   0.22950  1.0 3.0
   65    70    72    74   0.22950  1.0 3.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   66    65    70    75   0.00000  1.0 1.0
   71    70    72    61   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   72    61    62    63   7.00000 -1.0 2.0
   72    61   -62    64   7.00000 -1.0 2.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   75    70    72    61  -0.98800  1.0 1.0
   75    70    72    61   0.48800 -1.0 2.0
   75    70    72    61   0.76800  1.0 3.0
   75    70    72    73  -0.03800  1.0 3.0
   75    70    72    74  -0.03800  1.0 3.0
   67    64    65    66   1.00000 -1.0 2.0
   67    64    65    70  -0.54700  1.0 1.0
   67    64    65    70   1.23000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    54    53    57   1.10000 -1.0 2.0
   33    58    57    53   1.10000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
   52    55    51    44   1.00000 -1.0 2.0
   51    56    55    59  15.00000 -1.0 2.0
   61    60    59    55  15.00000 -1.0 2.0
   59    72    61    62   1.10000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   62    65    64    67   1.10000 -1.0 2.0
   66    64    65    70   1.00000 -1.0 2.0
   76    70    75    77  10.50000 -1.0 2.0
   68    69    67    64   1.10000 -1.0 2.0
END
