* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    135    199     380
    1     0 S   NP   _N1_     1    28.62780    96.51181   -19.56003
    2     1 S   H    _HN1     2     1.02964    87.92926    37.66961
    3     1 S   H    _H1_     3     1.02837    42.60505   155.84204
    4     1 S   H    _H2_     4     1.02782    78.78091   -71.45005
    5     1 S   CT   _CA1     5     1.50131   152.67668   171.37065
    6     5 S   HC   _HA1     6     1.09575   105.22089    48.04142
    7     5 S   CO3  _C1_     7     1.53730   112.49105   -72.09512
    8     7 S   O2Z  _O11     8     1.26392   115.07397   -41.53624
    9     7 S   O2Z  _O12     9     1.26223   114.98060   137.81427
   10     5 S   CT   _CB1    10     1.53095   107.40145   165.91872
   11    10 S   HC   HB11    11     1.09817   109.21311   -51.02034
   12    10 S   HC   HB12    12     1.09831   110.39845    65.47503
   13    10 S   CT   _CG1    13     1.53027   112.81166  -172.25200
   14    13 S   HC   HG11    14     1.09611   110.24990   -64.32809
   15    13 S   HC   HG12    15     1.09635   110.16176    54.91462
   16    13 S   C    _CD1    16     1.51837   112.26361   175.09420
   17    16 S   O    _OE1    17     1.22727   123.21632    -8.91185
   18    16 S   N    _N2_    18     1.38605   111.68732   171.58884
   19    18 S   H    _HN2    19     1.01588   119.01184     1.16432
   20    18 S   CT1  _CA2    20     1.46325   123.43904  -177.39196
   21    20 S   HC   _HA2    21     1.09731   109.39695   -14.65485
   22    20 S   C    _C2_    22     1.53367   108.34332  -130.46117
   23    22 S   O    _O2_    23     1.23007   122.26918  -145.84477
   24    20 S   CT   _CB2    32     1.53536   111.11022   107.46563
   25    24 S   HC   HB21    33     1.09416   109.04808    55.40673
   26    24 S   HC   HB22    34     1.09502   110.68701   173.87497
   27    22 S   N    _N3_    24     1.38518   113.33342    41.55263
   28    27 S   H    _HN3    25     1.01529   118.91220    -0.57471
   29    24 S   S    _SG2    35     1.82935   111.11880   -66.95103
   30    27 S   CT   _CA3    26     1.45443   123.40625   175.09687
   31    30 S   HC   HA31    27     1.09527   109.19179    25.32887
   32    30 S   HC   HA32    28     1.09496   107.13682   142.32549
   33    29 S   CT   _C14    36     1.86809   102.12518   152.96985
   34    30 S   CO3  _C3_    29     1.52927   113.13004   -98.11482
   35    34 S   O2Z  _O31    30     1.26401   115.40993   -44.49996
   36    34 S   O2Z  _O32    31     1.26355   114.97939   136.42986
   37    33 S   CM   _C9_    37     1.54199   108.12305   175.06978
   38    33 S   CT   _C15    67     1.54131   113.04390    47.77250
   39    38 S   HC   _H14    68     1.09604   111.31661    53.60784
   40    38 S   HC   _H15    69     1.09670   111.43654   -66.64196
   41    37 S   N4   _N4_    38     1.37680   111.81607   114.74322
   42    37 S   CMA  _C10    54     1.36749   126.73433   -66.71242
   43    42 S   OM   _O34    55     1.27078   125.57339  -176.75659
   44    38 S   OS   _O38    70     1.44333   110.05306   173.60349
   45    41 S   C4   _C8_    39     1.36578   127.29203  -108.01382
   46    45 S   O    _O33    40     1.21034   133.59816   -36.08533
   47    41 S   C4T  _C7_    43     1.45298   117.94963    16.00366
   48    47 S   HC   _H5_    44     1.09530   112.31147   100.28648
   49    42 S   OS   _O35    56     1.41613   111.35759     0.86750
   50    44 S   CO4  _C16    71     1.36051   115.94305  -179.29114
   51    50 S   O    _O39    72     1.22511   125.56583    -1.24616
   52    45 S   C4T  _C6_    41     1.55039    90.76008   138.93229
   53    52 S   HC   _H4_    42     1.10149   110.23179   105.06312
   54    33 S   S    _S1_    45     1.87420   106.30156   -71.73761
   55    49 S   CO   _C11    57     1.42931   115.09224   148.35108
   56    55 S   HC   _H9_    58     1.09620   110.19139   -49.70458
   57    55 S   HC   _H10    59     1.09721   111.11033    71.36877
   58    50 S   N    _N5_    73     1.36848   110.18077   178.84174
   59    58 S   H    _H16    74     1.01311   121.03755  -179.81233
   60    58 S   H    _H17    75     1.01329   120.96029    -0.63674
   61    52 S   CT   _C5_    46     1.52513   115.66197  -129.38916
   62    61 S   HC   _H3_    47     1.09503   111.61895    51.34934
   63    55 S   OS   _O36    60     1.44097   110.95290  -166.83776
   64    61 S   CT   _C4_    48     1.52244   110.55777   175.01607
   65    64 S   HC   _H6_    49     1.09600   110.86545    59.73721
   66    64 S   HC   _H7_    50     1.09316   112.02433   -61.07289
   67    64 S   HC   _H8_    51     1.09468   110.60410   177.77992
   68    61 S   OH   _O40    52     1.42704   108.17791   -66.72042
   69    68 S   HO   _H18    53     0.97654   107.16162   173.51738
   70    63 S   CO4  _C12    61     1.36182   116.00364   -71.45927
   71    70 S   O    _O37    62     1.22322   126.55234    -1.44564
   72    70 S   CT   _C13    63     1.49856   109.47272   178.53567
   73    72 S   HC   _H11    64     1.09296   109.81526   -61.02491
   74    72 S   HC   _H12    65     1.09381   109.36296   179.95577
   75    72 S   HC   _H13    66     1.09288   109.85366    60.90539
  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  10   5   4   3
  15   2   1   1  15  10   4   3  11   9   2   6  10   4   8   4
   5   4   3  10   5   1   6   3   2   2   1   1   7   6   6   5
   3   2   1   1   1   5   4   3   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    47    54    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    52    47    48    54    42    43    49    38    39    40    44    50  
   35    36  
   36  
    0  
   41    45    46    52    47    48    54    42    43    49    55    38    39    40    44  
   39    40    44    50    51    58    41    42    47    54  
   40    44    50    54  
   44    50    54  
   45    46    52    53    47    48    54    61    42    43    49  
   43    49    55    56    57    63    45    47    54  
   49    55  
   50    51    58    59    60    54  
   46    52    53    47    48    54    61    62    64    68  
   52    53    47    61  
   48    54    61    62    64    68    52    53  
   54    61    52    53  
   55    56    57    63    70  
   51    58    59    60  
   58    59    60  
   53    54    61    62    64    65    66    67    68    69  
   54    61    62    64    68  
   61  
   56    57    63    70    71    72  
   57    63    70  
   63    70  
   59    60  
   60  
    0  
   62    64    65    66    67    68    69  
   64    65    66    67    68    69  
   70    71    72    73    74    75  
   65    66    67    68    69  
   66    67    68  
   67    68  
   68  
   69  
    0  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.335000   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5000   0.0660   0.171400   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    54   222.000  1.810
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    52   250.000  1.540
   52    53   340.000  1.090
   52    47   268.000  1.529
   52    61   260.000  1.519
   47    48   340.000  1.090
   47    54   200.000  1.824
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   42    43   745.000  1.250
   42    49   440.000  1.360
   49    55   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   320.000  1.380
   63    70   214.000  1.327
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    50   214.000  1.327
   50    51   570.000  1.229
   50    58   435.000  1.380
   58    59   434.000  1.010
   58    60   434.000  1.010
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    54    75.00000  118.28000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    54    47    85.00000   99.86700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  120.01400
   41    45    46    75.00000  131.60000
   41    45    52    95.00000   92.72400
   41    47    52   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    54    80.00000  108.62000
   45    52    53    40.00000  113.37500
   45    52    47   100.00000   86.36000
   45    52    61    63.00000  111.10000
   52    45    46    60.00000  136.58000
   52    47    48    37.50000  110.70000
   52    47    54    65.00000  119.05700
   52    61    62    45.00000  111.22300
   52    61    64    70.00000  112.98000
   52    61    68    50.00000  109.50000
   47    41    45   100.00000   93.00000
   47    52    53    37.50000  110.70000
   54    33    37    75.00000  112.20000
   54    47    48    45.00000  109.41400
   61    52    53    45.00000  112.72800
   61    52    47    65.00000  119.52000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   61    68    69    55.00000  108.50000
   64    61    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    64    50.00000  109.50000
   42    37    41    75.00000  120.83300
   42    49    55    85.00000  113.97000
   49    42    43    65.00000  121.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    63    92.60000  111.55000
   55    63    70    95.00000  111.08000
   57    55    56    33.00000  109.50000
   63    55    56    35.00000  109.50000
   63    55    57    35.00000  109.50000
   63    70    71    83.00000  123.40000
   63    70    72    81.00000  111.40000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   72    70    71    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    54    75.00000  111.63000
   38    44    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    50    51    83.00000  123.40000
   44    50    58   110.00000  108.75700
   50    58    59    50.00000  116.34900
   50    58    60    50.00000  116.34900
   58    50    51    85.00000  125.96000
   60    58    59    35.00000  120.00000
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    54   0.08500  1.0 1.0
   24    29    33    54  -0.53150 -1.0 2.0
   24    29    33    54   0.48050  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   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    54    47   0.08500  1.0 1.0
   29    33    54    47  -0.53150 -1.0 2.0
   29    33    54    47   0.48050  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37   -41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    50  -0.25900  1.0 1.0
   33    38    44    50  -0.47000 -1.0 2.0
   33    38    44    50   0.11750  1.0 3.0
   37    33   -54    47  -0.70200  1.0 1.0
   37    33   -54    47  -0.14350 -1.0 2.0
   37    33   -54    47   0.55200  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    52   3.00000 -1.0 2.0
   37    41   -47    52   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    54   0.00000  1.0 1.0
   37    42    49    55  -2.26850  1.0 1.0
   37    42    49    55   3.39050 -1.0 2.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45   -52    47   3.00000 -1.0 2.0
   41    45    52    61   1.39750  1.0 1.0
   41    45    52    61  -0.07950 -1.0 2.0
   41    45    52    61  -0.18750  1.0 3.0
   41    47   -54    33   0.01700  1.0 1.0
   41    47   -54    33  -0.23550 -1.0 2.0
   41    47   -54    33   0.21350  1.0 3.0
   45    41   -47    52   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    54   0.00000  1.0 1.0
   45    52   -47    41   3.00000 -1.0 2.0
   45    52   -47    48   0.15000  1.0 3.0
   45    52   -47    54   0.00000  1.0 1.0
   45    52    61    62  -0.11250  1.0 3.0
   45    52    61    64  -0.95700  1.0 1.0
   45    52    61    64  -0.18200 -1.0 2.0
   45    52    61    64   0.29450  1.0 3.0
   45    52    61    68  -0.09450  1.0 1.0
   45    52    61    68  -1.12950 -1.0 2.0
   45    52    61    68   0.54000  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    47  -0.11250  1.0 1.0
   46    45    52    47   0.11400 -1.0 2.0
   46    45    52    47  -0.28950  1.0 3.0
   46    45    52    61   0.30150 -1.0 2.0
   52    47    54    33   0.25150  1.0 1.0
   52    47    54    33  -1.17200 -1.0 2.0
   52    47    54    33   0.53050  1.0 3.0
   52    61    64    65   0.15000  1.0 3.0
   52    61    64    66   0.15000  1.0 3.0
   52    61    64    67   0.15000  1.0 3.0
   52    61    68    69  -0.11600  1.0 1.0
   52    61    68    69  -0.09450 -1.0 2.0
   52    61    68    69   0.21250  1.0 3.0
   53    52   -47    41   0.15000  1.0 3.0
   53    52    47    48   0.15000  1.0 3.0
   53    52    47    54   0.00000  1.0 1.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    68   0.23400  1.0 3.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    52   3.00000 -1.0 2.0
   47    52    61    62   0.00000  1.0 1.0
   47    52    61    64   0.04050  1.0 1.0
   47    52    61    64   0.63700 -1.0 2.0
   47    52    61    64   0.17650  1.0 3.0
   47    52    61    68   0.86500  1.0 1.0
   47    52    61    68  -0.17500 -1.0 2.0
   47    52    61    68   0.20800  1.0 3.0
   48    47    54    33   0.00000  1.0 1.0
   54    33   -37    41   0.09700  1.0 1.0
   54    33   -37    41   0.15600 -1.0 2.0
   54    33   -37    41  -0.50800  1.0 3.0
   54    33    37    42   0.42700  1.0 1.0
   54    33    37    42  -0.70350 -1.0 2.0
   54    33    37    42  -0.43150  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33    38    44   0.56750  1.0 1.0
   54    33    38    44  -0.07550 -1.0 2.0
   54    33    38    44   0.20000  1.0 3.0
   61    52   -47    41   0.43900  1.0 1.0
   61    52   -47    41   0.49100 -1.0 2.0
   61    52   -47    41   0.28400  1.0 3.0
   61    52    47    48   0.15000  1.0 3.0
   61    52    47    54   0.44750  1.0 1.0
   61    52    47    54  -0.17800 -1.0 2.0
   61    52    47    54   0.20200  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   64    61    68    69  -0.11600  1.0 1.0
   64    61    68    69  -0.09450 -1.0 2.0
   64    61    68    69   0.21250  1.0 3.0
   68    61    64    65   0.23400  1.0 3.0
   68    61    64    66   0.23400  1.0 3.0
   68    61    64    67   0.23400  1.0 3.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   42    49    55    56   0.08050  1.0 3.0
   42    49    55    57   0.08050  1.0 3.0
   42    49    55    63  -0.48150  1.0 1.0
   42    49    55    63   0.09250 -1.0 2.0
   42    49    55    63  -0.12850  1.0 3.0
   43    42    49    55   2.00000 -1.0 2.0
   49    55    63    70  -1.83450  1.0 1.0
   49    55    63    70  -0.02700 -1.0 2.0
   49    55    63    70  -0.20100  1.0 3.0
   55    63    70    71   3.00000 -1.0 2.0
   55    63    70    72   1.63150  1.0 1.0
   55    63    70    72   2.92000 -1.0 2.0
   56    55    63    70   0.08050  1.0 3.0
   57    55    63    70   0.08050  1.0 3.0
   63    70    72    73   0.00000  1.0 1.0
   63    70    72    74   0.00000  1.0 1.0
   63    70    72    75   0.00000  1.0 1.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    54    47  -0.25000 -1.0 2.0
   38    33    54    47  -0.01800  1.0 3.0
   38    44    50    51   3.00000 -1.0 2.0
   38    44    50    58  -0.80800  1.0 1.0
   38    44    50    58   2.06850 -1.0 2.0
   39    38    44    50   0.08050  1.0 3.0
   40    38    44    50   0.08050  1.0 3.0
   44    50    58    59   2.56700 -1.0 2.0
   44    50    58    60   2.56700 -1.0 2.0
   51    50    58    59   2.45000 -1.0 2.0
   51    50    58    60   2.45000 -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    41    37    42   1.10000 -1.0 2.0
   47    45    41    37   1.00000 -1.0 2.0
   41    52    45    46  10.50000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   63    72    70    71  10.50000 -1.0 2.0
   44    58    50    51  10.50000 -1.0 2.0
   60    50    58    59   1.00000 -1.0 2.0
END
