* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    133    212     398
    1     0 S   NP   _N1_     1    28.75688    96.13601   -25.29175
    2     1 S   H    _HN1     2     1.02827    35.78937  -176.74286
    3     1 S   H    _H1_     3     1.02793   116.45310   -92.68628
    4     1 S   H    _H2_     4     1.02947    71.46733     9.12488
    5     1 S   CT   _CA1     5     1.50123   127.63716   111.02070
    6     5 S   HC   _HA1     6     1.09573   105.16528    95.77959
    7     5 S   CO3  _C1_     7     1.53761   112.49553   -24.43651
    8     7 S   O2Z  _O11     8     1.26374   115.00081   -41.89362
    9     7 S   O2Z  _O12     9     1.26235   114.94321   137.17096
   10     5 S   CT   _CB1    10     1.53064   107.41560  -146.23597
   11    10 S   HC   HB11    11     1.09840   109.31819   -49.42410
   12    10 S   HC   HB12    12     1.09811   110.47347    67.16601
   13    10 S   CT   _CG1    13     1.53025   112.65114  -170.36663
   14    13 S   HC   HG11    14     1.09569   110.73656   -67.54906
   15    13 S   HC   HG12    15     1.09671   109.69276    51.70214
   16    13 S   C    _CD1    16     1.51812   111.99727   172.18822
   17    16 S   O    _OE1    17     1.22751   123.17588    12.55671
   18    16 S   N    _N2_    18     1.38654   111.83182  -167.51053
   19    18 S   H    _HN2    19     1.01578   118.97789     1.16113
   20    18 S   CT1  _CA2    20     1.46239   123.34859   176.10208
   21    20 S   HC   _HA2    21     1.09740   109.29122     6.38672
   22    20 S   C    _C2_    22     1.53661   108.79169  -109.04223
   23    22 S   O    _O2_    23     1.23059   122.24728  -149.46844
   24    20 S   CT   _CB2    32     1.53351   111.63608   128.38873
   25    24 S   HC   HB21    33     1.09583   110.06385    56.22264
   26    24 S   HC   HB22    34     1.09404   109.97363   175.25038
   27    22 S   N    _N3_    24     1.38312   113.86230    38.04054
   28    27 S   H    _HN3    25     1.01545   119.63508    -3.20021
   29    24 S   S    _SG2    35     1.82833   111.41815   -64.70144
   30    27 S   CT   _CA3    26     1.45282   123.27728   177.22766
   31    30 S   HC   HA31    27     1.09548   107.51355   -64.86440
   32    30 S   HC   HA32    28     1.09556   108.00333    51.60290
   33    29 S   CT   _C11    36     1.84629    99.64322   172.34391
   34    33 S   HC   _H5_    37     1.09240   105.82518   -45.81984
   35    30 S   CO3  _C3_    29     1.52974   114.02118   173.60132
   36    35 S   O2Z  _O31    30     1.26389   116.07323    -0.45111
   37    35 S   O2Z  _O32    31     1.26425   114.42713   179.59944
   38    33 S   CM   _C6_    38     1.51312   107.95704  -162.57062
   39    38 S   CM   _C7_    39     1.34767   122.99500   -90.76207
   40    39 S   CO4  _C8_    40     1.48782   119.36158     0.62683
   41    40 S   O    _O33    41     1.22277   123.26506   169.73394
   42    39 S   NE   _N5_    58     1.37416   123.21563  -177.95684
   43    42 S   H    _H15    59     1.01704   117.23567   176.90396
   44    40 S   CO4  _C9_    42     1.51240   118.07769   -11.79615
   45    44 S   O    _O34    43     1.22308   118.87873   170.61667
   46    42 S   CT1  _C15    60     1.45513   123.00312    11.65070
   47    46 S   HC   _H7_    61     1.09700   108.74200    83.42247
   48    33 S   CT   _C10    44     1.54117   112.30458    74.26088
   49    48 S   HC   _H4_    45     1.09516   110.34084   -49.16747
   50    46 S   CT   _C4_    62     1.53390   109.01215   -35.72347
   51    50 S   HC   _H8_    63     1.09943   109.02267   -71.74097
   52    50 S   HC   _H9_    64     1.09743   109.70698   172.39199
   53    46 S   CO3  _C16    70     1.54041   107.60525  -161.28429
   54    53 S   O2Z  _O38    71     1.26318   116.36983   129.48361
   55    53 S   O2Z  _O37    72     1.26701   114.84123   -51.69822
   56    48 S   CT   _C12    46     1.54933   113.83579  -171.26216
   57    56 S   HC   _H10    47     1.09718   109.27680   -61.03360
   58    56 S   HC   _H11    48     1.09962   108.29908  -174.38731
   59    38 S   CT   _C5_    65     1.52003   117.33621    90.97519
   60    59 S   HC   _H3_    66     1.09866   108.38307   -48.22511
   61    56 S   CT   _C13    49     1.53491   114.65013    63.10248
   62    61 S   HC   _H6_    50     1.09187   113.11168   -36.02979
   63    59 S   CO3  _C17    67     1.54080   110.00946    69.62981
   64    63 S   O2Z  _O40    68     1.26435   116.88167    47.24769
   65    63 S   O2Z  _O39    69     1.26524   114.45908  -131.72647
   66    61 S   CO3  _C14    51     1.53646   109.25122    85.67259
   67    66 S   O2Z  _O36    52     1.26361   115.20488    95.59760
   68    66 S   O2Z  _O35    53     1.26276   114.88662   -84.91855
   69    61 S   NP   _N4_    54     1.50106   107.45457  -150.35722
   70    69 S   H    _H12    55     1.02777   110.81294  -179.13069
   71    69 S   H    _H13    56     1.03352   110.98323    61.40131
   72    69 S   H    _H14    57     1.02814   111.22186   -59.75786
  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   9   5   4   3
  17   7   2   1   1  18  14  10   4  11   4   7   3  10   7   9
   4  10   5   4   3   1   1  11   5   4   4   3   8   7   2   1
   1   6   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    48    49    56    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    49    56    57    58    61    42    50    59    60    63  
   38    39    44    48    49    56    59  
   36    37  
   37  
    0  
   39    40    41    44    48    49    56    42    43    46    50    51    52    59    60    63    64    65  
   40    41    44    45    48    42    43    46    47    50    59    60    63    53  
   41    44    45    48    49    56    42    43    46    59  
   44    45    48    42  
   43    46    47    50    51    52    59    53    54    55    44  
   46    47    50    53  
   45    48    49    56    57    58    61  
   48    49    56  
   47    50    51    52    59    60    63    53    54    55  
   50    51    52    59    53    54    55  
   49    56    57    58    61    62    66    69    59  
   56    57    58    61  
   51    52    59    60    63    64    65    53    54    55  
   52    59    60    63    53  
   59    60    63    53  
   54    55    59  
   55  
    0  
   57    58    61    62    66    67    68    69    70    71    72  
   58    61    62    66    69  
   61    62    66    69  
   60    63    64    65  
   63    64    65  
   62    66    67    68    69    70    71    72  
   66    67    68    69    70    71    72  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   67   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   68   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   69   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   70   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.210000   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    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   317.000  1.510
   33    48   268.000  1.529
   38    39   549.000  1.340
   38    59   317.000  1.510
   39    40   320.000  1.462
   39    42   425.000  1.378
   40    41   570.000  1.229
   40    44   250.000  1.523
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    66   317.000  1.522
   61    69   367.000  1.471
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    72   434.000  1.010
   42    43   434.000  1.010
   42    46   382.000  1.448
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    53   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   53    54   656.000  1.250
   53    55   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    59    65.00000  117.92700
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    56    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  118.96000
   38    39    42    70.00000  124.03900
   38    59    50    70.00000  112.02700
   38    59    60    35.00000  109.50000
   38    59    63    65.00000  111.94000
   39    40    41    80.00000  123.72100
   39    40    44    65.00000  116.00000
   39    42    43    35.00000  114.50000
   39    42    46    50.00000  121.00000
   40    44    45    80.00000  119.30300
   40    44    48    65.00000  115.45000
   44    40    41    80.00000  119.30300
   44    48    49    35.00000  109.50000
   44    48    56    63.00000  111.10000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    44    45    80.00000  120.40000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    61    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    66    70.00000  109.69300
   56    61    69    80.00000  111.20000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    67    70.00000  117.00000
   61    66    68    70.00000  117.00000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   66    61    62    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    61    62    35.00000  109.50000
   69    61    66    80.00000  109.26000
   71    69    70    35.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   42    39    40    70.00000  117.92000
   42    46    47    35.00000  109.50000
   42    46    50    80.00000  111.61500
   42    46    53    63.00000  110.10000
   46    42    43    35.00000  112.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    59    58.35000  112.70000
   46    53    54    70.00000  117.00000
   46    53    55    70.00000  117.00000
   50    46    47    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    63    70.00000  109.69300
   52    50    51    33.00000  107.80000
   59    38    39    70.00000  124.00000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    64    70.00000  117.00000
   59    63    65    70.00000  117.00000
   63    59    60    35.00000  109.50000
   65    63    64    80.00000  126.00000
   53    46    47    35.00000  109.50000
   53    46    50    63.00000  111.10000
   55    53    54    80.00000  126.00000
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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    59   0.30250  1.0 1.0
   29    33    38    59  -0.14950 -1.0 2.0
   29    33    38    59   0.36900  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    56   0.44750  1.0 1.0
   29    33    48    56  -0.17800 -1.0 2.0
   29    33    48    56   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    59    50   0.46850  1.0 1.0
   33    38    59    50   0.08550 -1.0 2.0
   33    38    59    50   0.09800  1.0 3.0
   33    38    59    60   0.34800  1.0 3.0
   33    38    59    63   0.17250  1.0 1.0
   33    38    59    63  -0.04100 -1.0 2.0
   33    38    59    63  -0.33850  1.0 3.0
   33    48    56    57   0.15000  1.0 3.0
   33    48    56    58   0.15000  1.0 3.0
   33    48    56    61   0.56750  1.0 1.0
   33    48    56    61  -0.07550 -1.0 2.0
   33    48    56    61   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    59   0.34800  1.0 3.0
   34    33    48    44  -0.11250  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    56   0.15000  1.0 3.0
   38    33    48    44  -0.98800  1.0 1.0
   38    33    48    44   0.48800 -1.0 2.0
   38    33    48    44   0.76800  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    56   0.34400  1.0 1.0
   38    33    48    56   0.09450 -1.0 2.0
   38    33    48    56   0.11100  1.0 3.0
   38    39    40    41   1.00000 -1.0 2.0
   38    39   -40    44   0.50400  1.0 1.0
   38    39   -40    44   1.60000 -1.0 2.0
   38    39   -40    44  -0.01800  1.0 3.0
   38    39    42    43   1.00000 -1.0 2.0
   38    39    42    46  -0.54700  1.0 1.0
   38    39    42    46   1.23000 -1.0 2.0
   38    59    63    64   0.30150 -1.0 2.0
   38    59    63    65   0.30150 -1.0 2.0
   39    38    59    50   0.09850  1.0 1.0
   39    38    59    50   0.15250 -1.0 2.0
   39    38    59    50  -0.50650  1.0 3.0
   39    38    59    60   0.00000  1.0 1.0
   39    38    59    63  -0.51250  1.0 1.0
   39    38    59    63  -0.88800 -1.0 2.0
   39    38    59    63   0.08850  1.0 3.0
   39    40    44    45   0.03000  1.0 1.0
   39    40    44    45   0.58800 -1.0 2.0
   39    40    44    45   0.15550  1.0 3.0
   39    40    44    48   0.43900  1.0 1.0
   39    40    44    48  -0.18150 -1.0 2.0
   39    40    44    48  -0.03650  1.0 3.0
   39    42    46    47   0.00000  1.0 1.0
   39    42   -46    50   0.25450  1.0 1.0
   39    42   -46    50  -0.61700 -1.0 2.0
   39    42   -46    50  -0.23550  1.0 3.0
   39    42    46    53  -0.12500  1.0 1.0
   39    42    46    53  -0.12500 -1.0 2.0
   39    42    46    53   0.25000  1.0 3.0
   40    39    42    43   1.00000 -1.0 2.0
   40    39    42    46   1.00000 -1.0 2.0
   40    44   -48    33   0.65300  1.0 1.0
   40    44   -48    33  -0.03850 -1.0 2.0
   40    44   -48    33   0.33900  1.0 3.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    56   0.65300  1.0 1.0
   40    44    48    56  -0.03850 -1.0 2.0
   40    44    48    56   0.33900  1.0 3.0
   41    40    44    45   0.06100 -1.0 2.0
   41    40    44    48   0.49600 -1.0 2.0
   44    48    56    57  -0.11250  1.0 3.0
   44    48    56    58  -0.11250  1.0 3.0
   44    48    56    61  -0.95700  1.0 1.0
   44    48    56    61  -0.18200 -1.0 2.0
   44    48    56    61   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    56   0.30150 -1.0 2.0
   48    33   -38    39   0.09850  1.0 1.0
   48    33   -38    39   0.15250 -1.0 2.0
   48    33   -38    39  -0.50650  1.0 3.0
   48    33    38    59   0.46850  1.0 1.0
   48    33    38    59   0.08550 -1.0 2.0
   48    33    38    59   0.09800  1.0 3.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    66  -1.63150  1.0 1.0
   48    56    61    66  -0.43550 -1.0 2.0
   48    56    61    66   0.24500  1.0 3.0
   48    56    61    69   1.36600  1.0 1.0
   48    56    61    69  -0.11450 -1.0 2.0
   48    56    61    69   0.24250  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    61   0.15000  1.0 3.0
   56    61    66    67   0.41150 -1.0 2.0
   56    61    66    68   0.41150 -1.0 2.0
   56    61    69    70   0.17350  1.0 3.0
   56    61    69    71   0.17350  1.0 3.0
   56    61    69    72   0.17350  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    66  -0.11250  1.0 3.0
   57    56    61    69   0.19200  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    66  -0.11250  1.0 3.0
   58    56    61    69   0.19200  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    69    70   0.13050  1.0 3.0
   62    61    69    71   0.13050  1.0 3.0
   62    61    69    72   0.13050  1.0 3.0
   66    61    69    70   0.17350  1.0 3.0
   66    61    69    71   0.17350  1.0 3.0
   66    61    69    72   0.17350  1.0 3.0
   69    61    66    67   0.30150 -1.0 2.0
   69    61    66    68   0.30150 -1.0 2.0
   42    39    40    41  -0.52200  1.0 1.0
   42    39    40    41   0.82950 -1.0 2.0
   42    39    40    44   1.50000 -1.0 2.0
   42    46    50    51   0.22950  1.0 3.0
   42    46    50    52   0.22950  1.0 3.0
   42    46    50    59   1.26750  1.0 1.0
   42    46    50    59  -0.00950 -1.0 2.0
   42    46    50    59   0.30600  1.0 3.0
   42    46    53    54   0.00000  1.0 1.0
   42    46    53    55   0.00000  1.0 1.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    50   0.00000  1.0 1.0
   43    42    46    53   0.00000  1.0 1.0
   46    50   -59    38   0.34400  1.0 1.0
   46    50   -59    38   0.09450 -1.0 2.0
   46    50   -59    38   0.11100  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    63  -0.84850  1.0 1.0
   46    50    59    63  -0.22800 -1.0 2.0
   46    50    59    63   0.29250  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    59   0.15000  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    55   0.00000  1.0 1.0
   50    46    53    54   0.00000  1.0 1.0
   50    46    53    55   0.00000  1.0 1.0
   50    59    63    64   0.41150 -1.0 2.0
   50    59    63    65   0.41150 -1.0 2.0
   51    50    59    38   0.15000  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63  -0.11250  1.0 3.0
   52    50    59    38   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63  -0.11250  1.0 3.0
   59    38    39    40   7.00000 -1.0 2.0
   59    38   -39    42   7.00000 -1.0 2.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   53    46    50    51  -0.03800  1.0 3.0
   53    46    50    52  -0.03800  1.0 3.0
   53    46    50    59  -0.84850  1.0 1.0
   53    46    50    59  -0.22800 -1.0 2.0
   53    46    50    59   0.29250  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
   36    30    35    37  10.50000 -1.0 2.0
   33    59    38    39   1.10000 -1.0 2.0
   40    42    39    38   1.10000 -1.0 2.0
   39    44    40    41  10.50000 -1.0 2.0
   40    48    44    45  10.50000 -1.0 2.0
   67    61    66    68  10.50000 -1.0 2.0
   43    39    42    46   1.00000 -1.0 2.0
   64    59    63    65  10.50000 -1.0 2.0
   54    46    53    55  10.50000 -1.0 2.0
END
