* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    136    221     409
    1     0 S   NP   _N1_     1    28.70509    96.46254   -22.99083
    2     1 S   H    _HN1     2     1.02949    72.49996    12.32821
    3     1 S   H    _H1_     3     1.02827    38.96471   163.94317
    4     1 S   H    _H2_     4     1.02786   102.68606   -93.19972
    5     1 S   CT   _CA1     5     1.50122   141.07195   113.34132
    6     5 S   HC   _HA1     6     1.09574   105.18306    90.57009
    7     5 S   CO3  _C1_     7     1.53779   112.44540   -29.64526
    8     7 S   O2Z  _O11     8     1.26374   115.00108   -42.74524
    9     7 S   O2Z  _O12     9     1.26238   114.94292   136.31755
   10     5 S   CT   _CB1    10     1.53071   107.40898  -151.46513
   11    10 S   HC   HB11    11     1.09835   109.34810   -49.67719
   12    10 S   HC   HB12    12     1.09812   110.46255    66.92322
   13    10 S   CT   _CG1    13     1.52997   112.61989  -170.64552
   14    13 S   HC   HG11    14     1.09579   110.65498   -66.24796
   15    13 S   HC   HG12    15     1.09671   109.76555    52.99083
   16    13 S   C    _CD1    16     1.51806   112.15887   173.43314
   17    16 S   O    _OE1    17     1.22741   123.26707     8.34892
   18    16 S   N    _N2_    18     1.38656   111.72282  -171.73480
   19    18 S   H    _HN2    19     1.01582   118.94945     1.40848
   20    18 S   CT1  _CA2    20     1.46194   123.35970   177.12792
   21    20 S   HC   _HA2    21     1.09741   109.33699     3.69205
   22    20 S   C    _C2_    22     1.53600   108.69811  -111.75624
   23    22 S   O    _O2_    23     1.23067   122.23971  -148.54743
   24    20 S   CT   _CB2    32     1.53493   111.70256   125.67474
   25    24 S   HC   HB21    33     1.09525   109.56655    56.24008
   26    24 S   HC   HB22    34     1.09328   109.65533   175.09571
   27    22 S   N    _N3_    24     1.38314   113.76447    38.93168
   28    27 S   H    _HN3    25     1.01576   119.58961    -3.35135
   29    24 S   S    _SG2    35     1.83011   111.16093   -64.16700
   30    27 S   CT   _CA3    26     1.45287   123.24513   177.14309
   31    30 S   HC   HA31    27     1.09548   107.51533   -64.58672
   32    30 S   HC   HA32    28     1.09556   107.98474    51.85933
   33    29 S   CT   _C5_    36     1.87423   102.71397  -171.22401
   34    30 S   CO3  _C3_    29     1.52969   114.06083   173.85857
   35    34 S   O2Z  _O31    30     1.26380   116.06306    -0.42933
   36    34 S   O2Z  _O32    31     1.26427   114.41509   179.62832
   37    33 S   CT   _C6_    37     1.55237   107.65440    76.62419
   38    37 S   HC   _H11    38     1.09776   109.84650   -45.28424
   39    37 S   HC   _H12    39     1.10020   108.64660  -156.84632
   40    33 S   CT   _C11    57     1.54776   106.01123  -162.66430
   41    40 S   HC   _H7_    58     1.10142   108.91385   -40.16429
   42    33 S   CT   _C4_    69     1.54151   110.58707   -41.85921
   43    42 S   HC   _H8_    70     1.09490   112.59418   -50.27515
   44    42 S   HC   _H9_    71     1.09588   110.92453  -170.50193
   45    42 S   HC   _H10    72     1.09571   111.84135    71.13360
   46    37 S   CT   _C7_    40     1.54747   118.12616    80.51183
   47    46 S   HC   _H3_    41     1.09477   112.42571   -41.37409
   48    46 S   CT   _C8_    42     1.53585   111.21382    84.77289
   49    48 S   HC   _H4_    43     1.10202   107.55334    49.40748
   50    46 S   OH   _O37    67     1.43342   105.89800  -158.63883
   51    50 S   HO   _H19    68     0.97280   107.51612    67.06230
   52    48 S   CM   _C17    44     1.49636   121.84265   169.63999
   53    52 S   CO4  _C16    45     1.48711   105.95610   161.86042
   54    53 S   O    _O36    46     1.21652   127.54153   163.28223
   55    52 S   CM   _C18    64     1.33455   132.53855   -15.57760
   56    55 S   HC   _H17    65     1.08347   121.71811    -1.26826
   57    55 S   HC   _H18    66     1.08552   121.39398   178.61182
   58    53 S   OS   _O35    47     1.37046   106.14358   -15.21405
   59    48 S   CT   _C9_    48     1.52627   115.83495   -73.48670
   60    59 S   HC   _H5_    49     1.10139   111.56112   -61.27073
   61    59 S   CT   _C10    50     1.53568   113.07623    62.02388
   62    61 S   HC   _H6_    51     1.09719   109.80054    45.17538
   63    61 S   CM   _C14    52     1.51655   116.81074   167.10990
   64    63 S   CM   _C13    53     1.33733   114.57050   128.85878
   65    64 S   HC   _H13    54     1.07642   128.64621   176.61760
   66    63 S   CT   _C15    59     1.49436   122.42564   -56.24327
   67    66 S   HC   _H14    60     1.09546   111.39574  -169.60672
   68    66 S   HC   _H15    61     1.09361   110.96487    70.37318
   69    64 S   CO4  _C12    55     1.46563   106.59596    -2.00037
   70    69 S   O    _O33    56     1.22144   122.17764   175.09643
   71    66 S   OH   _O34    62     1.42016   109.39266   -50.36804
   72    71 S   HO   _H16    63     0.97230   107.00145   176.78764
  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  13   5   4   3
  20   2   1   1  18   7   6  18   8   6   2   1   1  12   6  15
   8   3   1   9   8   3   4   1   1   5   7   3  10   4   9   7
   3   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    61    69    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    59    61    62    63    64    69    70    40    41    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    52    59    61    69    40    41    50    51    42    43    44    45  
   39    46    47    48    40    50    42  
   46    47    48    40    50    42  
   41    66    42    43    44    45    46    48    58    59    60    61    62    63    64    65    69    70  
   42    59    61    62    63    64    69    70  
   43    44    45    46    61    69  
   44    45  
   45  
    0  
   47    48    49    52    53    58    59    60    61    55    50    51  
   48    49    52    59    50    51  
   49    52    53    54    58    59    60    61    62    63    55    56    57    50    51  
   52    53    58    59    60    61    55    50  
   51    52    59  
    0  
   53    54    58    59    60    61    55    56    57  
   54    58    59    60    61    55    56    57  
   58    59    55  
   56    57    58    59  
   57  
    0  
   59    60    61    62    63  
   60    61    62    63    64    69    66  
   61    62    63  
   62    63    64    65    69    70    66    67    68    71  
   63    64    69    66  
   64    65    69    70    66    67    68    71    72  
   65    69    70    66    67    68    71  
   69    70    66  
   67    68    71    72    69  
   68    71    72  
   71    72  
   70  
    0  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    59   268.000  1.529
   52    53   320.000  1.462
   52    55   549.000  1.340
   53    54   570.000  1.229
   53    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    40   268.000  1.529
   63    64   549.000  1.340
   63    66   317.000  1.510
   64    65   340.000  1.080
   64    69   320.000  1.462
   69    70   570.000  1.229
   69    40   317.000  1.522
   40    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
   55    56   340.000  1.080
   55    57   340.000  1.080
   50    51   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    61    58.35000  112.70000
   33    40    69    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    58.35000  112.70000
   37    46    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    52    70.00000  112.02700
   46    48    59    58.35000  112.70000
   46    50    51    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    52    53    65.00000  116.34900
   48    52    55    70.00000  124.00000
   48    59    58    50.00000  109.50000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  120.00000
   52    55    57    35.00000  120.00000
   53    58    59    83.00000  116.90000
   58    53    54    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    48    49    37.50000  110.70000
   59    48    52    70.00000  112.02700
   59    61    62    37.50000  110.70000
   59    61    63    70.00000  112.02700
   59    61    40    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    70.00000  124.00000
   61    63    66    65.00000  117.92700
   61    40    69    63.00000  111.10000
   61    40    41    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    64    65    35.00000  120.00000
   63    64    69    65.00000  118.96000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    71    90.00000  110.39200
   64    69    70    80.00000  123.72100
   64    69    40    65.00000  118.62400
   69    64    65    40.00000  117.72500
   69    40    41    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    61    62    37.50000  110.70000
   40    61    63    70.00000  112.02700
   40    69    70    80.00000  120.40000
   66    63    64    70.00000  124.00000
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   55    52    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    69   0.56750  1.0 1.0
   29    33    40    69  -0.07550 -1.0 2.0
   29    33    40    69   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.56750  1.0 1.0
   33    37    46    48  -0.07550 -1.0 2.0
   33    37    46    48   0.20000  1.0 3.0
   33    37    46    50   0.86500  1.0 1.0
   33    37    46    50  -0.17500 -1.0 2.0
   33    37    46    50   0.20800  1.0 3.0
   37    33    40    61   0.56750  1.0 1.0
   37    33    40    61  -0.07550 -1.0 2.0
   37    33    40    61   0.20000  1.0 3.0
   37    33    40    69  -0.95700  1.0 1.0
   37    33    40    69  -0.18200 -1.0 2.0
   37    33    40    69   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.15000  1.0 3.0
   37    46    48    52   0.34400  1.0 1.0
   37    46    48    52   0.09450 -1.0 2.0
   37    46    48    52   0.11100  1.0 3.0
   37    46    48    59   0.56750  1.0 1.0
   37    46    48    59  -0.07550 -1.0 2.0
   37    46    48    59   0.20000  1.0 3.0
   37    46    50    51  -0.11600  1.0 1.0
   37    46    50    51  -0.09450 -1.0 2.0
   37    46    50    51   0.21250  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    50   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    50   0.23400  1.0 3.0
   46    48    52    53   0.09700  1.0 1.0
   46    48    52    53   0.15600 -1.0 2.0
   46    48    52    53  -0.50800  1.0 3.0
   46    48    52    55   0.09850  1.0 1.0
   46    48    52    55   0.15250 -1.0 2.0
   46    48    52    55  -0.50650  1.0 3.0
   46    48    59    58   0.62750  1.0 1.0
   46    48    59    58  -0.30950 -1.0 2.0
   46    48    59    58   0.27300  1.0 3.0
   46    48    59    60   0.15000  1.0 3.0
   46    48    59    61   0.56750  1.0 1.0
   46    48    59    61  -0.07550 -1.0 2.0
   46    48    59    61   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    48    59   0.15000  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51  -0.11600  1.0 1.0
   48    46    50    51  -0.09450 -1.0 2.0
   48    46    50    51   0.21250  1.0 3.0
   48    52    53    54  -0.64400  1.0 1.0
   48    52    53    54   0.26850 -1.0 2.0
   48    52   -53    58  -0.15000  1.0 1.0
   48    52   -53    58   0.89550 -1.0 2.0
   48    52   -53    58  -0.06900  1.0 3.0
   48    52    55    56   7.00000 -1.0 2.0
   48    52    55    57   7.00000 -1.0 2.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.34400  1.0 1.0
   48    59    61    63   0.09450 -1.0 2.0
   48    59    61    63   0.11100  1.0 3.0
   48    59    61    40   0.56750  1.0 1.0
   48    59    61    40  -0.07550 -1.0 2.0
   48    59    61    40   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.00000  1.0 1.0
   49    48    59    58   0.23400  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   52    48   -59    58   0.61850  1.0 1.0
   52    48   -59    58  -0.22750 -1.0 2.0
   52    48   -59    58   0.15300  1.0 3.0
   52    48    59    60   0.15000  1.0 3.0
   52    48    59    61   0.34400  1.0 1.0
   52    48    59    61   0.09450 -1.0 2.0
   52    48    59    61   0.11100  1.0 3.0
   52    53   -58    59   2.00000 -1.0 2.0
   53    52    55    56   7.00000 -1.0 2.0
   53    52    55    57   7.00000 -1.0 2.0
   53    58   -59    48  -0.25900  1.0 1.0
   53    58   -59    48  -0.47000 -1.0 2.0
   53    58   -59    48   0.11750  1.0 3.0
   53    58    59    60   0.08050  1.0 3.0
   53    58    59    61  -0.25900  1.0 1.0
   53    58    59    61  -0.47000 -1.0 2.0
   53    58    59    61   0.11750  1.0 3.0
   54    53    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.61850  1.0 1.0
   58    59    61    63  -0.22750 -1.0 2.0
   58    59    61    63   0.15300  1.0 3.0
   58    59    61    40   0.62750  1.0 1.0
   58    59    61    40  -0.30950 -1.0 2.0
   58    59    61    40   0.27300  1.0 3.0
   59    48   -52    53   0.09700  1.0 1.0
   59    48   -52    53   0.15600 -1.0 2.0
   59    48   -52    53  -0.50800  1.0 3.0
   59    48    52    55   0.09850  1.0 1.0
   59    48    52    55   0.15250 -1.0 2.0
   59    48    52    55  -0.50650  1.0 3.0
   59    61    63    64   0.09850  1.0 1.0
   59    61    63    64   0.15250 -1.0 2.0
   59    61    63    64  -0.50650  1.0 3.0
   59    61    63    66   0.46850  1.0 1.0
   59    61    63    66   0.08550 -1.0 2.0
   59    61    63    66   0.09800  1.0 3.0
   59    61    40    33   0.56750  1.0 1.0
   59    61    40    33  -0.07550 -1.0 2.0
   59    61    40    33   0.20000  1.0 3.0
   59    61    40    69  -0.95700  1.0 1.0
   59    61    40    69  -0.18200 -1.0 2.0
   59    61    40    69   0.29450  1.0 3.0
   59    61    40    41   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    40   0.15000  1.0 3.0
   61    63    64    65   7.00000 -1.0 2.0
   61    63   -64    69   7.00000 -1.0 2.0
   61    63    66    67   0.34800  1.0 3.0
   61    63    66    68   0.34800  1.0 3.0
   61    63    66    71   0.18000  1.0 1.0
   61    63    66    71   0.16450 -1.0 2.0
   61    63    66    71   0.04450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66   0.34800  1.0 3.0
   62    61    40    33   0.15000  1.0 3.0
   62    61    40    69  -0.11250  1.0 3.0
   62    61    40    41   0.15000  1.0 3.0
   63    61    40    33   0.34400  1.0 1.0
   63    61    40    33   0.09450 -1.0 2.0
   63    61    40    33   0.11100  1.0 3.0
   63    61   -40    69  -0.98800  1.0 1.0
   63    61   -40    69   0.48800 -1.0 2.0
   63    61   -40    69   0.76800  1.0 3.0
   63    61    40    41   0.15000  1.0 3.0
   63    64    69    70   1.00000 -1.0 2.0
   63    64   -69    40  -0.33500  1.0 1.0
   63    64   -69    40   1.06600 -1.0 2.0
   63    64   -69    40  -0.14000  1.0 3.0
   63    66    71    72  -0.07800  1.0 1.0
   63    66    71    72  -0.21500 -1.0 2.0
   63    66    71    72  -0.03150  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    71   0.67800  1.0 1.0
   64    63    66    71   0.47050 -1.0 2.0
   64    63    66    71  -0.62500  1.0 3.0
   64    69    40    33   0.65300  1.0 1.0
   64    69    40    33  -0.03850 -1.0 2.0
   64    69    40    33   0.33900  1.0 3.0
   64    69   -40    61   0.65300  1.0 1.0
   64    69   -40    61  -0.03850 -1.0 2.0
   64    69   -40    61   0.33900  1.0 3.0
   64    69    40    41   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    40   0.04550  1.0 1.0
   65    64    69    40   0.83000 -1.0 2.0
   65    64    69    40  -0.04000  1.0 3.0
   70    69    40    33   0.30150 -1.0 2.0
   70    69    40    61   0.30150 -1.0 2.0
   70    69    40    41   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    61   -63    64   0.09850  1.0 1.0
   40    61   -63    64   0.15250 -1.0 2.0
   40    61   -63    64  -0.50650  1.0 3.0
   40    61    63    66   0.46850  1.0 1.0
   40    61    63    66   0.08550 -1.0 2.0
   40    61    63    66   0.09800  1.0 3.0
   66    63    64    65   7.00000 -1.0 2.0
   66    63    64    69   7.00000 -1.0 2.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
   55    52    53    54   1.00000 -1.0 2.0
   55    52    53    58  -0.56150  1.0 1.0
   55    52    53    58   2.19150 -1.0 2.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    52   1.05650  1.0 1.0
   50    46    48    52   0.15600 -1.0 2.0
   50    46    48    52   0.53150  1.0 3.0
   50    46    48    59   0.86500  1.0 1.0
   50    46    48    59  -0.17500 -1.0 2.0
   50    46    48    59   0.20800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    61   0.56750  1.0 1.0
   42    33    40    61  -0.07550 -1.0 2.0
   42    33    40    61   0.20000  1.0 3.0
   42    33    40    69  -0.95700  1.0 1.0
   42    33    40    69  -0.18200 -1.0 2.0
   42    33    40    69   0.29450  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    53    52    55   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   61    66    63    64   1.10000 -1.0 2.0
   69    65    64    63   1.10000 -1.0 2.0
   64    40    69    70  10.50000 -1.0 2.0
   56    57    55    52   1.10000 -1.0 2.0
END
