* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    137    216     397
    1     0 S   NP   _N1_     1    28.80671    94.99888   -24.57291
    2     1 S   H    _HN1     2     1.02785   112.52554   -89.36292
    3     1 S   H    _H1_     3     1.02950    78.37590    15.87532
    4     1 S   H    _H2_     4     1.02829    29.31557  -175.95334
    5     1 S   CT   _CA1     5     1.50112   128.19533   122.79758
    6     5 S   HC   _HA1     6     1.09572   105.20484    86.55999
    7     5 S   CO3  _C1_     7     1.53795   112.44521   -33.69809
    8     7 S   O2Z  _O11     8     1.26374   115.00745   -42.85179
    9     7 S   O2Z  _O12     9     1.26239   114.94753   136.29016
   10     5 S   CT   _CB1    10     1.53080   107.42260  -155.44405
   11    10 S   HC   HB11    11     1.09832   109.40245   -49.62360
   12    10 S   HC   HB12    12     1.09813   110.43204    66.98785
   13    10 S   CT   _CG1    13     1.52990   112.60030  -170.59987
   14    13 S   HC   HG11    14     1.09583   110.62163   -65.03860
   15    13 S   HC   HG12    15     1.09668   109.80392    54.19673
   16    13 S   C    _CD1    16     1.51799   112.23259   174.66983
   17    16 S   O    _OE1    17     1.22731   123.28575     6.20681
   18    16 S   N    _N2_    18     1.38652   111.66511  -173.93379
   19    18 S   H    _HN2    19     1.01583   118.94620     1.88284
   20    18 S   CT1  _CA2    20     1.46205   123.39848   177.91437
   21    20 S   HC   _HA2    21     1.09736   109.34686     2.27658
   22    20 S   C    _C2_    22     1.53539   108.66119  -113.22829
   23    22 S   O    _O2_    23     1.23056   122.28088  -148.22559
   24    20 S   CT   _CB2    32     1.53305   111.55509   124.23839
   25    24 S   HC   HB21    33     1.09594   110.12832    56.47043
   26    24 S   HC   HB22    34     1.09500   110.16466   175.60912
   27    22 S   N    _N3_    24     1.38333   113.71021    39.24056
   28    27 S   H    _HN3    25     1.01585   119.57984    -3.38697
   29    24 S   S    _SG2    35     1.82697   111.56177   -64.43197
   30    27 S   CT   _CA3    26     1.45284   123.19923   177.10423
   31    30 S   HC   HA31    27     1.09549   107.51400   -64.45330
   32    30 S   HC   HA32    28     1.09557   107.98020    51.98153
   33    29 S   CT   _C15    36     1.83487    99.08376   174.86428
   34    33 S   HC   _H3_    37     1.09498   105.52084   -57.05175
   35    30 S   CO3  _C3_    29     1.52955   114.08572   173.97143
   36    35 S   O2Z  _O31    30     1.26375   116.07009    -0.77278
   37    35 S   O2Z  _O32    31     1.26429   114.41167   179.29003
   38    33 S   CT   _C12    38     1.54488   110.52992  -175.66840
   39    38 S   HC   _H28    39     1.10069   108.33953   -35.33255
   40    33 S   OS   _O20    64     1.43140   112.03643    56.98223
   41    38 S   CT   _C10    40     1.53454   111.96490  -152.93043
   42    41 S   HC   _H26    41     1.09759   110.42111   178.03208
   43    38 S   CO4  _C9_    65     1.52186   112.18750    82.26842
   44    43 S   O    _O17    66     1.22355   125.05992    25.73532
   45    41 S   CM   _C4_    42     1.50599   115.77673   -59.06983
   46    45 S   HC   _H23    43     1.08127   123.97437   -51.84097
   47    43 S   OS   _O21    67     1.36600   109.42253  -155.11508
   48    45 S   CM   _C5_    44     1.33758   112.11491   130.59874
   49    48 S   HC   _H24    45     1.08079   124.22009   177.77085
   50    47 S   CT   _C18    68     1.43061   115.23573  -179.73312
   51    50 S   HC   _H35    69     1.09327   108.10419  -179.55150
   52    50 S   HC   _H36    70     1.09421   110.25799    61.77272
   53    50 S   HC   _H37    71     1.09423   110.30876   -60.85332
   54    48 S   CT   _C16    46     1.49364   111.66662     0.05935
   55    54 S   CT   _C11    47     1.51138   117.67316  -126.71922
   56    55 S   HC   _H27    48     1.09545   113.58198   -11.67050
   57    55 S   CM   _C6_    49     1.48922   102.86720  -133.05293
   58    55 S   OS   _O19    59     1.43364   107.88258   110.00281
   59    57 S   CO4  _C7_    50     1.47991   108.64696     6.10393
   60    59 S   O    _O16    51     1.21716   127.49892   176.85384
   61    57 S   CM   _C8_    53     1.34135   124.58833  -174.07897
   62    61 S   HC   _H25    54     1.08987   117.10549    -0.21850
   63    58 S   CO   _C14    60     1.43478   108.45233   -16.55069
   64    63 S   HC   _H30    61     1.09522   108.27431   150.93374
   65    54 S   OS   _O18    52     1.42524   109.85977   108.70836
   66    61 S   CT   _C17    55     1.49347   129.03799   179.46222
   67    66 S   HC   _H32    56     1.09482   109.44558  -124.40550
   68    66 S   HC   _H33    57     1.09448   109.65234   117.31037
   69    66 S   HC   _H34    58     1.09022   114.10330    -3.98959
   70    41 S   CT   _C13    62     1.53554   109.68547    56.29754
   71    70 S   HC   _H29    63     1.09703   111.67122    96.91264
  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   8   5   4   3
  14   6   2   1   1  15   8   9  16   8   8   2   9   4   4  11
   4   3   2   1   1  12  13   7  12   7   6   2   6   4   4   2
   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    63    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    58    63    64    70    40    43    44    47  
   38    39    41    63    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    48    54    63    70    71    40    43    44    47    50  
   41    42    45    70    40    43    44    47  
   43    41    54    55    58    63    64    70    71  
   42    45    46    48    49    54    55    65    58    63    64    70    71    43    44    47  
   45    46    48    54    63    70    71    43  
   44    47    50    51    52    53    45    70  
   47    50  
   46    48    49    54    55    65    63    70    71  
   48    49    54    70  
   50    51    52    53  
   49    54    55    56    57    59    65    58    63    70    71  
   54    55    65    70  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    59    60    65    61    58    63    64    70    71  
   56    57    59    60    65    61    62    66    58    63    64    70    71  
   57    59    65    61    58    63    70  
   59    60    65    61    62    66    67    68    69    58    63    70  
   63    64    70    71    59    61    65  
   60    65    61    62    66    70  
   65    61  
   62    66    67    68    69    65  
   66    67    68    69  
   64    70    71    65  
   70    71  
   70    71  
   67    68    69  
   68    69  
   69  
    0  
   71  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   0.319000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   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    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   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   317.000  1.510
   41    70   268.000  1.529
   45    46   340.000  1.080
   45    48   549.000  1.340
   48    49   340.000  1.080
   48    54   317.000  1.510
   54    55   268.000  1.529
   54    65   320.000  1.410
   54    70   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.510
   55    58   320.000  1.410
   57    59   320.000  1.462
   57    61   549.000  1.340
   59    60   570.000  1.229
   59    65   214.000  1.327
   61    62   340.000  1.080
   61    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    63   320.000  1.380
   63    64   340.000  1.090
   63    70   250.000  1.527
   63    40   320.000  1.380
   70    71   340.000  1.090
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    63    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    70.00000  112.02700
   38    41    70    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    35.00000  117.00000
   41    45    48    70.00000  124.00000
   41    70    54    58.35000  112.70000
   41    70    63    75.00000  109.43000
   41    70    71    37.50000  110.70000
   45    41    42    35.00000  109.50000
   45    48    49    35.00000  120.00000
   45    48    54    70.00000  124.00000
   48    45    46    35.00000  120.00000
   48    54    55    70.00000  112.02700
   48    54    65    85.00000  110.90400
   48    54    70    70.00000  112.02700
   54    48    49    35.00000  117.00000
   54    55    56    37.50000  110.70000
   54    55    57    70.00000  112.02700
   54    55    58    50.00000  109.50000
   54    65    59    83.00000  116.90000
   54    70    63    75.00000  109.43000
   54    70    71    37.50000  110.70000
   55    57    59    65.00000  116.34900
   55    57    61    70.00000  124.00000
   55    58    63    60.00000  109.50000
   57    55    56    35.00000  109.50000
   57    59    60    80.00000  123.72100
   57    59    65    90.00000  111.29400
   57    61    62    35.00000  120.00000
   57    61    66    70.00000  124.00000
   65    54    55    50.00000  109.50000
   65    59    60    83.00000  123.40000
   61    57    59    65.00000  118.96000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   66    61    62    35.00000  117.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    70    90.00000  108.56700
   58    63    40    92.60000  111.55000
   63    70    71    45.00000  108.72000
   70    41    42    37.50000  110.70000
   70    41    45    70.00000  112.02700
   70    54    55    58.35000  112.70000
   70    54    65    50.00000  109.50000
   70    63    64    45.00000  112.01100
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    63    64    35.00000  109.50000
   40    63    70    90.00000  108.56700
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    47    50    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.32350  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    63   0.14700  1.0 1.0
   29    33    40    63  -1.16150 -1.0 2.0
   29    33    40    63   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.34400  1.0 1.0
   33    38    41    45   0.09450 -1.0 2.0
   33    38    41    45   0.11100  1.0 3.0
   33    38    41    70   0.56750  1.0 1.0
   33    38    41    70  -0.07550 -1.0 2.0
   33    38    41    70   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    63   0.37050  1.0 3.0
   38    33    40    63   0.06250  1.0 1.0
   38    33    40    63  -0.01100 -1.0 2.0
   38    33    40    63   0.28050  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    48   0.09850  1.0 1.0
   38    41    45    48   0.15250 -1.0 2.0
   38    41    45    48  -0.50650  1.0 3.0
   38    41    70    54   0.56750  1.0 1.0
   38    41    70    54  -0.07550 -1.0 2.0
   38    41    70    54   0.20000  1.0 3.0
   38    41   -70    63   3.97050  1.0 1.0
   38    41    70    71   0.15000  1.0 3.0
   38    43    47    50   1.63150  1.0 1.0
   38    43    47    50   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    70   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    47   0.36750  1.0 3.0
   41    45    48    49   7.00000 -1.0 2.0
   41    45   -48    54   7.00000 -1.0 2.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    48   0.00000  1.0 1.0
   42    41    70    54   0.15000  1.0 3.0
   42    41    70    63   0.15000  1.0 3.0
   42    41    70    71   0.15000  1.0 3.0
   45    41   -70    54   0.34400  1.0 1.0
   45    41   -70    54   0.09450 -1.0 2.0
   45    41   -70    54   0.11100  1.0 3.0
   45    41    70    63   0.34400  1.0 1.0
   45    41    70    63   0.09450 -1.0 2.0
   45    41    70    63   0.11100  1.0 3.0
   45    41    70    71   0.15000  1.0 3.0
   45    48    54    55   0.09850  1.0 1.0
   45    48    54    55   0.15250 -1.0 2.0
   45    48    54    55  -0.50650  1.0 3.0
   45    48    54    65   0.39000  1.0 1.0
   45    48    54    65  -0.05800 -1.0 2.0
   45    48    54    65  -0.55150  1.0 3.0
   45    48   -54    70   0.09850  1.0 1.0
   45    48   -54    70   0.15250 -1.0 2.0
   45    48   -54    70  -0.50650  1.0 3.0
   46    45    48    49   7.00000 -1.0 2.0
   46    45    48    54   7.00000 -1.0 2.0
   48    54    55    56   0.15000  1.0 3.0
   48    54    55    57   0.31000  1.0 1.0
   48    54    55    57   0.14700 -1.0 2.0
   48    54    55    57   0.07550  1.0 3.0
   48    54    55    58   0.61850  1.0 1.0
   48    54    55    58  -0.22750 -1.0 2.0
   48    54    55    58   0.15300  1.0 3.0
   48    54    65    59  -0.82050  1.0 1.0
   48    54    65    59   0.00600 -1.0 2.0
   48    54    65    59   0.04400  1.0 3.0
   48    54   -70    41   0.34400  1.0 1.0
   48    54   -70    41   0.09450 -1.0 2.0
   48    54   -70    41   0.11100  1.0 3.0
   48    54    70    63   0.34400  1.0 1.0
   48    54    70    63   0.09450 -1.0 2.0
   48    54    70    63   0.11100  1.0 3.0
   48    54    70    71   0.15000  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    65   0.00000  1.0 1.0
   49    48    54    70   0.00000  1.0 1.0
   54    55   -57    59   0.09700  1.0 1.0
   54    55   -57    59   0.15600 -1.0 2.0
   54    55   -57    59  -0.50800  1.0 3.0
   54    55    57    61   0.09850  1.0 1.0
   54    55    57    61   0.15250 -1.0 2.0
   54    55    57    61  -0.50650  1.0 3.0
   54    55   -58    63   0.06250  1.0 1.0
   54    55   -58    63  -0.01100 -1.0 2.0
   54    55   -58    63   0.28050  1.0 3.0
   55    54   -65    59  -0.25900  1.0 1.0
   55    54   -65    59  -0.47000 -1.0 2.0
   55    54   -65    59   0.11750  1.0 3.0
   55    54    70    41   0.56750  1.0 1.0
   55    54    70    41  -0.07550 -1.0 2.0
   55    54    70    41   0.20000  1.0 3.0
   55    54   -70    63   3.97050  1.0 1.0
   55    54    70    71   0.15000  1.0 3.0
   55    57    59    60  -0.64400  1.0 1.0
   55    57    59    60   0.26850 -1.0 2.0
   55    57   -59    65  -0.15000  1.0 1.0
   55    57   -59    65   0.89550 -1.0 2.0
   55    57   -59    65  -0.06900  1.0 3.0
   55    57    61    62   7.00000 -1.0 2.0
   55    57    61    66   7.00000 -1.0 2.0
   55    58    63    64   0.37050  1.0 3.0
   55    58   -63    70   0.06250  1.0 1.0
   55    58   -63    70  -0.01100 -1.0 2.0
   55    58   -63    70   0.28050  1.0 3.0
   55    58    63    40  -0.53350  1.0 1.0
   55    58    63    40  -0.78350 -1.0 2.0
   55    58    63    40   0.33750  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.00000  1.0 1.0
   56    55    58    63   0.37050  1.0 3.0
   57    55    58    63  -0.77900  1.0 1.0
   57    55    58    63  -0.36900 -1.0 2.0
   57    55    58    63   0.40400  1.0 3.0
   57    59   -65    54   2.00000 -1.0 2.0
   57    61    66    67   0.00000  1.0 1.0
   57    61    66    68   0.00000  1.0 1.0
   57    61    66    69   0.00000  1.0 1.0
   59    57    61    62   7.00000 -1.0 2.0
   59    57    61    66   7.00000 -1.0 2.0
   60    59    65    54   3.00000 -1.0 2.0
   65    54    55    56   0.23400  1.0 3.0
   65    54   -55    57   0.61850  1.0 1.0
   65    54   -55    57  -0.22750 -1.0 2.0
   65    54   -55    57   0.15300  1.0 3.0
   65    54    55    58   1.11900  1.0 1.0
   65    54    55    58  -1.16350 -1.0 2.0
   65    54    55    58  -0.34150  1.0 3.0
   65    54    70    41   0.62750  1.0 1.0
   65    54    70    41  -0.30950 -1.0 2.0
   65    54    70    41   0.27300  1.0 3.0
   65    54    70    63   0.62750  1.0 1.0
   65    54    70    63  -0.30950 -1.0 2.0
   65    54    70    63   0.27300  1.0 3.0
   65    54    70    71   0.23400  1.0 3.0
   61    57    59    60   1.00000 -1.0 2.0
   61    57    59    65  -0.56150  1.0 1.0
   61    57    59    65   2.19150 -1.0 2.0
   62    61    66    67   0.33100  1.0 3.0
   62    61    66    68   0.33100  1.0 3.0
   62    61    66    69   0.33100  1.0 3.0
   58    55    57    59   0.09700  1.0 1.0
   58    55    57    59   0.15600 -1.0 2.0
   58    55    57    59  -0.50800  1.0 3.0
   58    55    57    61   0.39000  1.0 1.0
   58    55    57    61  -0.05800 -1.0 2.0
   58    55    57    61  -0.55150  1.0 3.0
   58    63    70    41   0.62750  1.0 1.0
   58    63    70    41  -0.30950 -1.0 2.0
   58    63    70    41   0.27300  1.0 3.0
   58    63   -70    54   0.62750  1.0 1.0
   58    63   -70    54  -0.30950 -1.0 2.0
   58    63   -70    54   0.27300  1.0 3.0
   58    63    70    71   0.23400  1.0 3.0
   58    63    40    33  -0.53350  1.0 1.0
   58    63    40    33  -0.78350 -1.0 2.0
   58    63    40    33   0.33750  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    70    54   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    40    33   0.37050  1.0 3.0
   70    41    45    46   0.00000  1.0 1.0
   70    41   -45    48   0.09850  1.0 1.0
   70    41   -45    48   0.15250 -1.0 2.0
   70    41   -45    48  -0.50650  1.0 3.0
   70    54    55    56   0.15000  1.0 3.0
   70    54    55    57   0.34400  1.0 1.0
   70    54    55    57   0.09450 -1.0 2.0
   70    54    55    57   0.11100  1.0 3.0
   70    54   -55    58   0.62750  1.0 1.0
   70    54   -55    58  -0.30950 -1.0 2.0
   70    54   -55    58   0.27300  1.0 3.0
   70    54    65    59  -0.25900  1.0 1.0
   70    54    65    59  -0.47000 -1.0 2.0
   70    54    65    59   0.11750  1.0 3.0
   70    63   -40    33   0.06250  1.0 1.0
   70    63   -40    33  -0.01100 -1.0 2.0
   70    63   -40    33   0.28050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    63   -70    41   0.62750  1.0 1.0
   40    63   -70    41  -0.30950 -1.0 2.0
   40    63   -70    41   0.27300  1.0 3.0
   40    63    70    54   0.62750  1.0 1.0
   40    63    70    54  -0.30950 -1.0 2.0
   40    63    70    54   0.27300  1.0 3.0
   40    63    70    71   0.23400  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.98800  1.0 1.0
   43    38    41    45   0.48800 -1.0 2.0
   43    38    41    45   0.76800  1.0 3.0
   43    38    41    70  -0.95700  1.0 1.0
   43    38    41    70  -0.18200 -1.0 2.0
   43    38    41    70   0.29450  1.0 3.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52   0.08050  1.0 3.0
   43    47    50    53   0.08050  1.0 3.0
   44    43    47    50   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    46    45    48   1.10000 -1.0 2.0
   54    49    48    45   1.10000 -1.0 2.0
   55    59    57    61   1.10000 -1.0 2.0
   57    65    59    60  10.50000 -1.0 2.0
   66    62    61    57   1.10000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
