* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    128    189     376
    1     0 S   NP   _N1_     1    29.51992    93.57067   -25.12647
    2     1 S   H    _HN1     2     1.02787   113.06215  -103.94217
    3     1 S   H    _H1_     3     1.02966    88.85854     5.54373
    4     1 S   H    _H2_     4     1.02829    18.35187   178.91430
    5     1 S   CT   _CA1     5     1.50127   120.98536   118.78096
    6     5 S   HC   _HA1     6     1.09570   105.22620    76.29570
    7     5 S   CO3  _C1_     7     1.53788   112.46523   -43.96389
    8     7 S   O2Z  _O11     8     1.26365   115.01695   -41.94013
    9     7 S   O2Z  _O12     9     1.26237   114.94479   137.20679
   10     5 S   CT   _CB1    10     1.53043   107.36839  -165.71704
   11    10 S   HC   HB11    11     1.09832   109.36133   -49.96973
   12    10 S   HC   HB12    12     1.09790   110.35545    66.55146
   13    10 S   CT   _CG1    13     1.52998   112.72496  -171.02828
   14    13 S   HC   HG11    14     1.09581   110.58036   -64.75991
   15    13 S   HC   HG12    15     1.09655   109.91041    54.57675
   16    13 S   C    _CD1    16     1.51735   112.14049   174.98077
   17    16 S   O    _OE1    17     1.22737   123.24426     3.21778
   18    16 S   N    _N2_    18     1.38703   111.79212  -176.79515
   19    18 S   H    _HN2    19     1.01578   119.02199     2.80324
   20    18 S   CT1  _CA2    20     1.46118   123.25840   179.03207
   21    20 S   HC   _HA2    21     1.09602   109.22461     6.19169
   22    20 S   C    _C2_    22     1.53620   109.24250  -109.02613
   23    22 S   O    _O2_    23     1.23087   122.12612  -149.83802
   24    20 S   CT   _CB2    32     1.53421   111.81209   128.41046
   25    24 S   HC   HB21    33     1.09666   109.58719    65.99492
   26    24 S   HC   HB22    34     1.09579   110.59649  -177.16482
   27    22 S   N    _N3_    24     1.38286   113.92390    37.53273
   28    27 S   H    _HN3    25     1.01555   119.64104    -3.05339
   29    24 S   S    _SG2    35     1.83100   115.51537   -53.90266
   30    27 S   CT   _CA3    26     1.45292   123.20875   177.17160
   31    30 S   HC   HA31    27     1.09548   107.48693   -65.36941
   32    30 S   HC   HA32    28     1.09557   108.01440    51.07549
   33    29 S   CT   _C9_    36     1.83214   100.51354   -56.78908
   34    33 S   HC   _H6_    37     1.09465   106.28814    67.55575
   35    30 S   CO3  _C3_    29     1.52963   114.08808   173.11798
   36    35 S   O2Z  _O31    30     1.26375   116.08038     0.07402
   37    35 S   O2Z  _O32    31     1.26432   114.41639  -179.86438
   38    33 S   CT   _C8_    38     1.54239   111.40941  -174.14871
   39    38 S   HC   _H5_    39     1.09692   108.42264   -59.49792
   40    38 S   CT   _C7_    40     1.54714   109.59770  -178.60928
   41    40 S   HC   _H4_    41     1.09774   110.32974  -170.78164
   42    38 S   N    _N4_    64     1.46391   111.96121    58.83176
   43    42 S   H    _H16    65     1.01609   117.32870    35.45413
   44    40 S   CT   _C11    42     1.53973   111.27217   -49.92920
   45    44 S   HC   _H8_    43     1.09689   109.89255   168.91576
   46    40 S   OS   _O35    54     1.43477   109.77845    68.17136
   47    42 S   C    _C13    66     1.38197   123.04262  -149.93199
   48    47 S   O    _O39    67     1.22762   125.47138     0.85134
   49    44 S   CT   _C10    44     1.53815   111.54466    48.48886
   50    49 S   HC   _H7_    45     1.09797   110.39372    65.56994
   51    44 S   OH   _O37    52     1.42812   109.84195   -73.25164
   52    51 S   HO   _H12    53     0.97294   107.35298   -59.31216
   53    46 S   CT   _C5_    55     1.43387   114.34445    80.98477
   54    53 S   HC   _H3_    56     1.09728   111.65782   -13.19169
   55    47 S   CT   _C14    68     1.50435   112.44198  -178.02355
   56    55 S   HC   _H17    69     1.09337   109.37263    75.38824
   57    55 S   HC   _H18    70     1.09347   109.64004  -164.75835
   58    55 S   HC   _H19    71     1.09383   110.45331   -45.12843
   59    33 S   OS   _O36    46     1.42888   111.34583   -51.03724
   60    49 S   CT   _C12    47     1.52855   112.15394  -172.87996
   61    60 S   HC   _H13    48     1.09482   111.46228    72.32596
   62    60 S   HC   _H14    49     1.09433   111.05714   -50.30196
   63    53 S   CO3  _C6_    57     1.54169   107.26785   105.05766
   64    63 S   O2Z  _O34    58     1.26268   116.52489   113.21637
   65    63 S   O2Z  _O33    59     1.26616   114.51406   -67.28254
   66    53 S   CT   _C4_    60     1.52052   107.22490  -132.03080
   67    66 S   HC   _H9_    61     1.09592   111.30542   -56.61854
   68    66 S   HC   _H10    62     1.09550   110.35121    61.41158
   69    66 S   HC   _H11    63     1.09437   111.48487  -177.98792
   70    60 S   OH   _O38    50     1.42556   108.98464  -169.07126
   71    70 S   HO   _H15    51     0.97230   107.02378  -178.46634
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  15   8  17   7  10   3  12   7  11   5   4
   9   6   3   1   8   7   3   2   1   1   4   4   3   2   6   2
   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    59    60    46    42    43    47  
   38    39    40    49    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    59    51    46    53    42    43    47    48    55  
   40    41    44    59    46    42    43    47  
   41    44    45    49    50    59    60    51    52    46    53    54    63    66    42    43    47  
   44    45    49    51    46    53    42  
   43    47    48    55    56    57    58    44    46    59  
   47    48    55  
   45    49    50    59    60    61    62    70    51    52    46    53  
   49    50    59    60    51    52    46  
   53    54    63    64    65    66    67    68    69    49    51  
   48    55    56    57    58  
   55    56    57    58  
   50    59    60    61    62    70    71    51    52  
   59    60    61    62    70    51  
   52    59    60  
    0  
   54    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    70  
   61    62    70    71  
   62    70    71  
   70    71  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.600000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    59   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   320.000  1.410
   49    50   340.000  1.090
   49    59   320.000  1.410
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   320.000  1.410
   70    71   553.000  0.945
   51    52   553.000  0.945
   46    53   320.000  1.410
   53    54   340.000  1.090
   53    63   317.000  1.522
   53    66   268.000  1.529
   63    64   656.000  1.250
   63    65   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   42    43   434.000  1.010
   42    47   490.000  1.335
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    59    49    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    38.00000  118.40000
   38    42    47    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    44    51    50.00000  109.50000
   40    46    53    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    59    50.00000  109.50000
   44    49    60    58.35000  112.70000
   44    51    52    55.00000  108.50000
   49    44    45    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    70    50.00000  109.50000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    49    50    35.00000  109.50000
   60    49    50    37.50000  110.70000
   60    49    59    50.00000  109.50000
   60    70    71    55.00000  108.50000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   51    44    45    35.00000  109.50000
   51    44    49    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    53    54    35.00000  109.50000
   46    53    63    85.00000  109.63000
   46    53    66    50.00000  109.50000
   53    63    64    70.00000  117.00000
   53    63    65    70.00000  117.00000
   53    66    67    37.50000  110.70000
   53    66    68    37.50000  110.70000
   53    66    69    37.50000  110.70000
   63    53    54    35.00000  109.50000
   65    63    64    80.00000  126.00000
   66    53    54    37.50000  110.70000
   66    53    63    70.00000  109.69300
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    47    48    80.00000  122.90000
   42    47    55    70.00000  116.60000
   47    42    43    35.00000  119.80000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   55    47    48    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    47  -0.43950  1.0 1.0
   33    38    42    47  -0.08100 -1.0 2.0
   33    38    42    47   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    59    49   0.37050  1.0 3.0
   38    33    59    49   0.06250  1.0 1.0
   38    33    59    49  -0.01100 -1.0 2.0
   38    33    59    49   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    44    51   0.86500  1.0 1.0
   38    40    44    51  -0.17500 -1.0 2.0
   38    40    44    51   0.20800  1.0 3.0
   38    40    46    53   0.06250  1.0 1.0
   38    40    46    53  -0.01100 -1.0 2.0
   38    40    46    53   0.28050  1.0 3.0
   38    42    47    48   3.04450 -1.0 2.0
   38    42    47    55   1.49850  1.0 1.0
   38    42    47    55   1.53950 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    47  -0.43950  1.0 1.0
   40    38    42    47  -0.08100 -1.0 2.0
   40    38    42    47   0.03350  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    59   0.62750  1.0 1.0
   40    44    49    59  -0.30950 -1.0 2.0
   40    44    49    59   0.27300  1.0 3.0
   40    44    49    60   0.56750  1.0 1.0
   40    44    49    60  -0.07550 -1.0 2.0
   40    44    49    60   0.20000  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   40    46    53    54   0.37050  1.0 3.0
   40    46    53    63  -1.11000  1.0 1.0
   40    46    53    63   0.50250 -1.0 2.0
   40    46    53    63   0.47450  1.0 3.0
   40    46    53    66   0.06250  1.0 1.0
   40    46    53    66  -0.01100 -1.0 2.0
   40    46    53    66   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51   0.23400  1.0 3.0
   41    40    46    53   0.37050  1.0 3.0
   44    40    46    53   0.06250  1.0 1.0
   44    40    46    53  -0.01100 -1.0 2.0
   44    40    46    53   0.28050  1.0 3.0
   44    49   -59    33   0.06250  1.0 1.0
   44    49   -59    33  -0.01100 -1.0 2.0
   44    49   -59    33   0.28050  1.0 3.0
   44    49    60    61   0.15000  1.0 3.0
   44    49    60    62   0.15000  1.0 3.0
   44    49    60    70   0.86500  1.0 1.0
   44    49    60    70  -0.17500 -1.0 2.0
   44    49    60    70   0.20800  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    59   0.23400  1.0 3.0
   45    44    49    60   0.15000  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   49    44    51    52  -0.11600  1.0 1.0
   49    44    51    52  -0.09450 -1.0 2.0
   49    44    51    52   0.21250  1.0 3.0
   49    60    70    71  -0.11600  1.0 1.0
   49    60    70    71  -0.09450 -1.0 2.0
   49    60    70    71   0.21250  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    70   0.23400  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33   -38    40   0.62750  1.0 1.0
   59    33   -38    40  -0.30950 -1.0 2.0
   59    33   -38    40   0.27300  1.0 3.0
   59    33    38    42   1.12100  1.0 1.0
   59    33    38    42  -0.16500 -1.0 2.0
   59    49    60    61   0.23400  1.0 3.0
   59    49    60    62   0.23400  1.0 3.0
   59    49    60    70   3.69350  1.0 1.0
   59    49    60    70  -1.82950 -1.0 2.0
   60    49    59    33   0.06250  1.0 1.0
   60    49    59    33  -0.01100 -1.0 2.0
   60    49    59    33   0.28050  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   62    60    70    71   0.19450  1.0 3.0
   51    44    49    50   0.23400  1.0 3.0
   51    44    49    59   3.69350  1.0 1.0
   51    44    49    59  -1.82950 -1.0 2.0
   51    44    49    60   0.86500  1.0 1.0
   51    44    49    60  -0.17500 -1.0 2.0
   51    44    49    60   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    49   0.62750  1.0 1.0
   46    40    44    49  -0.30950 -1.0 2.0
   46    40    44    49   0.27300  1.0 3.0
   46    40    44    51   3.69350  1.0 1.0
   46    40    44    51  -1.82950 -1.0 2.0
   46    53    63    64   0.30150 -1.0 2.0
   46    53    63    65   0.30150 -1.0 2.0
   46    53    66    67   0.23400  1.0 3.0
   46    53    66    68   0.23400  1.0 3.0
   46    53    66    69   0.23400  1.0 3.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    65   0.00000  1.0 1.0
   54    53    66    67   0.15000  1.0 3.0
   54    53    66    68   0.15000  1.0 3.0
   54    53    66    69   0.15000  1.0 3.0
   63    53    66    67  -0.11250  1.0 3.0
   63    53    66    68  -0.11250  1.0 3.0
   63    53    66    69  -0.11250  1.0 3.0
   66    53    63    64   0.41150 -1.0 2.0
   66    53    63    65   0.41150 -1.0 2.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -0.27100  1.0 1.0
   42    38    40    44  -0.01700 -1.0 2.0
   42    38    40    44  -0.48600  1.0 3.0
   42    38    40    46   1.12100  1.0 1.0
   42    38    40    46  -0.16500 -1.0 2.0
   42    47    55    56   0.00000  1.0 1.0
   42    47    55    57   0.00000  1.0 1.0
   42    47    55    58   0.00000  1.0 1.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    55   2.45000 -1.0 2.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    58   0.00000  1.0 1.0
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
   64    53    63    65  10.50000 -1.0 2.0
   43    47    42    38   1.00000 -1.0 2.0
   42    55    47    48  10.50000 -1.0 2.0
END
