* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    126    173     359
    1     0 S   NP   _N1_     1    31.10265    92.93531   -16.10031
    2     1 S   H    _HN1     2     1.03646   118.30254   147.68040
    3     1 S   H    _H1_     3     1.02653    28.98701    72.46453
    4     1 S   H    _H2_     4     1.03750   123.50534    10.20084
    5     1 S   CT   _CA1     5     1.50250    82.80544  -101.68756
    6     5 S   HC   _HA1     6     1.09689   104.81626    70.38117
    7     5 S   CO3  _C1_     7     1.54361   111.10865   -45.54069
    8     7 S   O2Z  _O11     8     1.26671   113.95630    65.26421
    9     7 S   O2Z  _O12     9     1.26094   116.89687  -114.21254
   10     5 S   CT   _CB1    10     1.52889   106.35291  -174.03997
   11    10 S   HC   HB11    11     1.09824   109.12919   -49.89336
   12    10 S   HC   HB12    12     1.09681   109.41408    65.82363
   13    10 S   CT   _CG1    13     1.53234   113.95231  -171.18350
   14    13 S   HC   HG11    14     1.09433   111.76576   -71.06280
   15    13 S   HC   HG12    15     1.09604   110.09573    48.65586
   16    13 S   C    _CD1    16     1.51722   111.00443   168.14479
   17    16 S   O    _OE1    17     1.22849   121.70915  -121.63299
   18    16 S   N    _N2_    18     1.38419   113.03254    58.85652
   19    18 S   H    _HN2    19     1.01550   119.16387     5.70262
   20    18 S   CT1  _CA2    20     1.46241   123.55737  -169.00082
   21    20 S   HC   _HA2    21     1.09719   109.40211   -12.55911
   22    20 S   C    _C2_    22     1.53305   108.62738  -128.69003
   23    22 S   O    _O2_    23     1.23001   122.42324  -147.92951
   24    20 S   CT   _CB2    32     1.53678   110.55758   109.02667
   25    24 S   HC   HB21    33     1.09607   109.40336    56.69809
   26    24 S   HC   HB22    34     1.09489   110.88345   175.93697
   27    22 S   N    _N3_    24     1.38589   113.35491    39.70338
   28    27 S   H    _HN3    25     1.01540   118.74780    -0.93816
   29    24 S   S    _SG2    35     1.82730   111.07292   -63.87536
   30    27 S   CT   _CA3    26     1.45404   123.36800   175.48872
   31    30 S   HC   HA31    27     1.09537   109.04285    27.52236
   32    30 S   HC   HA32    28     1.09494   107.14603   144.43996
   33    29 S   CT   _C6_    36     1.84549   100.12850   164.37226
   34    33 S   HC   _H7_    37     1.09473   105.54114    -5.80836
   35    30 S   CO3  _C3_    29     1.52919   113.36096   -95.86910
   36    35 S   O2Z  _O31    30     1.26391   115.52928   -43.21650
   37    35 S   O2Z  _O32    31     1.26384   114.93317   137.86941
   38    33 S   CT   _C5_    38     1.54217   112.95466   112.32353
   39    38 S   HC   _H4_    39     1.09867   106.46451  -170.30661
   40    38 S   CT   _C4_    40     1.54435   114.50463    72.62653
   41    40 S   HC   _H3_    41     1.09744   106.83397   171.44473
   42    38 S   OS   _O42    65     1.42824   111.18685   -53.41316
   43    40 S   CT   _C9_    42     1.54362   111.49232    51.93682
   44    43 S   HC   _H8_    43     1.09561   109.46297  -170.24950
   45    40 S   OS   _O46    60     1.42689   111.50695   -70.73390
   46    42 S   P3   _P3_    66     1.65032   119.44895  -101.31746
   47    46 S   O2Z  _O44    67     1.52559   103.90003   178.60422
   48    46 S   O2Z  _O45    68     1.52526   104.83908    58.97213
   49    46 S   O2Z  _O43    69     1.52612   104.74659   -61.52422
   50    43 S   CT   _C8_    44     1.54149   114.39680   -48.25165
   51    50 S   HC   _H6_    45     1.09745   109.09802   166.58078
   52    43 S   OH   _O33    58     1.43177   108.71041    72.55051
   53    52 S   HO   _H9_    59     0.97264   106.92437    59.99118
   54    45 S   P3   _P4_    61     1.65283   119.11038  -133.65056
   55    54 S   O2Z  _O48    62     1.52571   103.94166  -175.22316
   56    54 S   O2Z  _O49    63     1.52536   104.88635    65.10487
   57    54 S   O2Z  _O47    64     1.52616   105.01703   -55.19524
   58    33 S   CT   _C7_    46     1.54414   113.20529  -123.32850
   59    58 S   HC   _H5_    47     1.09850   106.30603   170.22191
   60    50 S   OS   _O34    53     1.42751   109.76519   -74.86009
   61    58 S   OS   _O38    48     1.42913   111.37019    53.12090
   62    60 S   P3   _P1_    54     1.65035   119.50763  -108.33702
   63    62 S   O2Z  _O36    55     1.52525   103.96698  -179.24256
   64    62 S   O2Z  _O37    56     1.52502   104.91060    60.50344
   65    62 S   O2Z  _O35    57     1.52571   105.00561   -59.97886
   66    61 S   P3   _P2_    49     1.64924   119.57186   106.93057
   67    66 S   O2Z  _O40    50     1.52629   103.71515   176.50750
   68    66 S   O2Z  _O41    51     1.52515   104.96340    57.04082
   69    66 S   O2Z  _O39    52     1.52437   104.62234   -63.83159
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  16   7   7  12   7   6   3   2   1
   1  12   6   3   1   3   2   1   1   8   3   5   4   3   2   1
   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    59    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    59    61    66    60    45    42    46  
   38    39    40    50    58    59    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    58    59    61    52    45    54    42    46    47    48    49  
   40    41    43    58    45    42    46  
   41    43    44    50    51    58    60    52    53    45    54    55    56    57    42    46  
   43    44    50    52    45    54    42  
   46    47    48    49    43    45    58  
   44    50    51    58    59    61    60    62    52    53    45    54  
   50    51    58    60    52    53    45  
   54    55    56    57    50    52  
   47    48    49  
   48    49  
   49  
    0  
   51    58    59    61    66    60    62    63    64    65    52    53  
   58    59    61    60    62    52  
   53    58    60  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    61    66    67    68    69    60    62  
   61    66    60  
   62    63    64    65    61  
   66    67    68    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    60   320.000  1.410
   58    59   340.000  1.090
   58    61   320.000  1.410
   61    66   230.000  1.630
   66    67   525.000  1.516
   66    68   525.000  1.516
   66    69   525.000  1.516
   60    62   230.000  1.630
   62    63   525.000  1.516
   62    64   525.000  1.516
   62    65   525.000  1.516
   52    53   553.000  0.945
   45    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   42    46   230.000  1.630
   46    47   525.000  1.516
   46    48   525.000  1.516
   46    49   525.000  1.516
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    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    50    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    54    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    58    58.35000  112.70000
   43    50    60    50.00000  109.50000
   43    52    53    55.00000  108.50000
   50    43    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    61    50.00000  109.50000
   50    60    62    80.00000  112.68000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    61    66    80.00000  112.68000
   61    58    59    35.00000  109.50000
   61    66    67   100.00000  107.00000
   61    66    68   100.00000  107.00000
   61    66    69   100.00000  107.00000
   68    66    67   140.00000  114.00000
   69    66    67   140.00000  114.00000
   69    66    68   140.00000  114.00000
   60    50    51    35.00000  109.50000
   60    50    58    50.00000  109.50000
   60    62    63   100.00000  107.00000
   60    62    64   100.00000  107.00000
   60    62    65   100.00000  107.00000
   64    62    63   140.00000  114.00000
   65    62    63   140.00000  114.00000
   65    62    64   140.00000  114.00000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    54    55   100.00000  107.00000
   45    54    56   100.00000  107.00000
   45    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  107.00000
   42    46    48   100.00000  107.00000
   42    46    49   100.00000  107.00000
   48    46    47   140.00000  114.00000
   49    46    47   140.00000  114.00000
   49    46    48   140.00000  114.00000
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   0.01700  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.15000  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    58    50   0.44750  1.0 1.0
   29    33    58    50  -0.17800 -1.0 2.0
   29    33    58    50   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.56750  1.0 1.0
   29    33    58    61  -0.07550 -1.0 2.0
   29    33    58    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    61    66  -2.65550  1.0 1.0
   33    58    61    66  -0.22350 -1.0 2.0
   33    58    61    66   0.24150  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   0.23400  1.0 3.0
   34    33    58    50   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    61   0.23400  1.0 3.0
   38    33    58    50   0.56750  1.0 1.0
   38    33    58    50  -0.07550 -1.0 2.0
   38    33    58    50   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    61   0.62750  1.0 1.0
   38    33    58    61  -0.30950 -1.0 2.0
   38    33    58    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.86500  1.0 1.0
   38    40    43    52  -0.17500 -1.0 2.0
   38    40    43    52   0.20800  1.0 3.0
   38    40    45    54  -2.65550  1.0 1.0
   38    40    45    54  -0.22350 -1.0 2.0
   38    40    45    54   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    58   0.56750  1.0 1.0
   40    43    50    58  -0.07550 -1.0 2.0
   40    43    50    58   0.20000  1.0 3.0
   40    43    50    60   0.62750  1.0 1.0
   40    43    50    60  -0.30950 -1.0 2.0
   40    43    50    60   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   40    45    54    55   0.00000  1.0 1.0
   40    45    54    56   0.00000  1.0 1.0
   40    45    54    57   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    54   0.03000  1.0 3.0
   43    40    45    54  -2.65550  1.0 1.0
   43    40    45    54  -0.22350 -1.0 2.0
   43    40    45    54   0.24150  1.0 3.0
   43    50   -58    33   0.56750  1.0 1.0
   43    50   -58    33  -0.07550 -1.0 2.0
   43    50   -58    33   0.20000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    61   0.62750  1.0 1.0
   43    50    58    61  -0.30950 -1.0 2.0
   43    50    58    61   0.27300  1.0 3.0
   43    50    60    62  -2.65550  1.0 1.0
   43    50    60    62  -0.22350 -1.0 2.0
   43    50    60    62   0.24150  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   44    43    50    60   0.23400  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   50    43    52    53  -0.11600  1.0 1.0
   50    43    52    53  -0.09450 -1.0 2.0
   50    43    52    53   0.21250  1.0 3.0
   50    58    61    66  -2.65550  1.0 1.0
   50    58    61    66  -0.22350 -1.0 2.0
   50    58    61    66   0.24150  1.0 3.0
   50    60    62    63   0.00000  1.0 1.0
   50    60    62    64   0.00000  1.0 1.0
   50    60    62    65   0.00000  1.0 1.0
   51    50    58    33   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    61   0.23400  1.0 3.0
   51    50    60    62   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    50    60    62  -2.65550  1.0 1.0
   58    50    60    62  -0.22350 -1.0 2.0
   58    50    60    62   0.24150  1.0 3.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68   0.00000  1.0 1.0
   58    61    66    69   0.00000  1.0 1.0
   59    58    61    66   0.03000  1.0 3.0
   60    50    58    33   0.62750  1.0 1.0
   60    50    58    33  -0.30950 -1.0 2.0
   60    50    58    33   0.27300  1.0 3.0
   60    50    58    59   0.23400  1.0 3.0
   60    50    58    61   1.11900  1.0 1.0
   60    50    58    61  -1.16350 -1.0 2.0
   60    50    58    61  -0.34150  1.0 3.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    58   0.86500  1.0 1.0
   52    43    50    58  -0.17500 -1.0 2.0
   52    43    50    58   0.20800  1.0 3.0
   52    43    50    60   3.69350  1.0 1.0
   52    43    50    60  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.62750  1.0 1.0
   45    40    43    50  -0.30950 -1.0 2.0
   45    40    43    50   0.27300  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  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
END
