* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    125    184     366
    1     0 S   NP   _N1_     1    28.96864    96.77067   -23.80239
    2     1 S   H    _HN1     2     1.02801   114.36382  -121.05168
    3     1 S   H    _H1_     3     1.02826    74.71390   -17.50839
    4     1 S   H    _H2_     4     1.02942    33.12071   153.41324
    5     1 S   CT   _CA1     5     1.50611   128.13695    87.76015
    6     5 S   HC   _HA1     6     1.09682   104.47484    95.61322
    7     5 S   CO3  _C1_     7     1.54461   110.81677   -20.04630
    8     7 S   O2Z  _O11     8     1.26002   116.77601  -121.05415
    9     7 S   O2Z  _O12     9     1.26644   113.70986    57.33938
   10     5 S   CT   _CB1    10     1.53125   106.86949  -148.23159
   11    10 S   HC   HB11    11     1.09853   110.09188   -39.48920
   12    10 S   HC   HB12    12     1.09751   110.32709    77.26882
   13    10 S   CT   _CG1    13     1.52959   112.14709  -159.77205
   14    13 S   HC   HG11    14     1.09503   111.15622   -61.63052
   15    13 S   HC   HG12    15     1.09644   109.27403    57.45739
   16    13 S   C    _CD1    16     1.51756   111.97573   178.01989
   17    16 S   O    _OE1    17     1.22788   123.11222    18.84353
   18    16 S   N    _N2_    18     1.38510   111.97564  -161.91287
   19    18 S   H    _HN2    19     1.01930   119.06144     2.80784
   20    18 S   CT1  _CA2    20     1.46069   123.72729  -179.98022
   21    20 S   HC   _HA2    21     1.09739   109.16402     8.97100
   22    20 S   C    _C2_    22     1.53594   109.31338  -106.79547
   23    22 S   O    _O2_    23     1.23120   122.12134  -149.34265
   24    20 S   CT   _CB2    32     1.53351   111.28555   130.60964
   25    24 S   HC   HB21    33     1.09593   110.07508    57.89802
   26    24 S   HC   HB22    34     1.09518   110.46848   177.07497
   27    22 S   N    _N3_    24     1.38336   113.99229    38.54412
   28    27 S   H    _HN3    25     1.01552   119.61254    -4.57984
   29    24 S   S    _SG2    35     1.82559   111.52401   -62.91281
   30    27 S   CT   _CA3    26     1.45276   123.11792   176.80494
   31    30 S   HC   HA31    27     1.09558   107.66465   -60.00984
   32    30 S   HC   HA32    28     1.09560   107.76466    56.34268
   33    29 S   CT   _C13    36     1.82804    98.75948   175.52315
   34    33 S   HC   _H13    37     1.09480   108.55740   -48.39210
   35    33 S   HC   _H14    38     1.09501   107.27055    68.79045
   36    30 S   CO3  _C3_    29     1.52948   114.25431   178.22282
   37    36 S   O2Z  _O31    30     1.26361   116.17461    -0.32984
   38    36 S   O2Z  _O32    31     1.26455   114.38304   179.65452
   39    33 S   CT   _C12    39     1.53094   112.57279  -170.52537
   40    39 S   HC   _H7_    40     1.09652   109.07146   179.04673
   41    39 S   CO4  _C11    41     1.52255   113.33112    59.71414
   42    41 S   O    _O38    42     1.22386   124.31583  -125.89276
   43    39 S   OH   _O39    69     1.42068   109.65353   -64.52984
   44    43 S   HO   _H15    70     0.97278   107.52759  -179.09000
   45    41 S   OS   _O37    43     1.36236   109.58124    56.42668
   46    45 S   CT   _C9_    44     1.44999   118.34227  -179.61235
   47    46 S   HC   _H5_    45     1.09622   109.34615   -26.57791
   48    46 S   CT   _C8_    46     1.53549   109.42379    94.83189
   49    48 S   F    F1__    47     1.36254   108.52754   -52.47543
   50    48 S   HC   _H4_    48     1.09635   109.28180  -168.70030
   51    48 S   CM   _C7_    49     1.50136   112.54448    70.86537
   52    51 S   CM   _C6_    50     1.34325   123.24663    17.29033
   53    52 S   HC   _H11    51     1.08769   120.20416  -178.97245
   54    51 S   CO3  _C14    66     1.52830   118.22759  -163.25185
   55    54 S   O2Z  _O41    67     1.26438   114.89872   -55.03858
   56    54 S   O2Z  _O40    68     1.26443   115.69730   124.09760
   57    52 S   CT   _C5_    52     1.50603   123.09083     1.35667
   58    57 S   HC   _H3_    53     1.09599   108.94000  -111.23311
   59    46 S   CT   _C10    54     1.53431   107.77270  -146.12760
   60    59 S   HC   _H6_    55     1.09766   110.12912   179.00338
   61    57 S   OS   _O35    58     1.42843   108.20403   130.02338
   62    59 S   OH   _O36    56     1.42971   109.44434    62.04752
   63    62 S   HO   _H12    57     0.97231   107.51812    59.89653
   64    61 S   P2   _P1_    59     1.63174   120.62785   103.82123
   65    64 S   O2Z  _O34    60     1.51186   110.24921   -39.21682
   66    64 S   O2Z  _O33    61     1.51222   108.57342  -174.53155
   67    64 S   CT   _C4_    62     1.81556    99.90219    73.88666
   68    67 S   HC   _H8_    63     1.09335   110.09982    56.29998
   69    67 S   HC   _H9_    64     1.09344   109.45924   175.83924
   70    67 S   HC   _H10    65     1.09267   110.97662   -64.47449
  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   7   5   4   3
   9   5   4   2   1   1   7   5   8   3   2   1  10  14   8  12
   5   4   9  11   5   3   1   1  10   5   5   3   8   1   1   6
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    43    44  
   41    42    45    43    44  
   42    45    46    47    48    59    43    44  
   45    46    43  
   44    45  
    0  
   46    47    48    49    50    51    57    59    60    62  
   47    48    49    50    51    52    57    58    59    60    62    63    61    54  
   48    49    50    51    57    59    60    62  
   49    50    51    52    53    57    59    60    62    54    55    56  
   50    51    52    59    54  
   51    52    59    54  
   52    53    57    58    59    61    54    55    56  
   53    57    58    59    60    62    61    64    54    55    56  
   57    58    59    61    54  
   55    56    57  
   56  
    0  
   58    59    60    62    63    61    64    65    66    67  
   59    60    62    61    64  
   60    62    63    61    64  
   62    63    61  
   64    65    66    67    68    69    70    62  
   63  
    0  
   65    66    67    68    69    70  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.267600   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.104900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.342800   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7400   0.2000   1.620000   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.510000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   320.000  1.410
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    59   268.000  1.529
   48    49   367.000  1.332
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    54   230.000  1.545
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    63   553.000  0.945
   61    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    67   185.000  1.874
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    44    55.00000  108.50000
   41    39    40    35.00000  109.50000
   41    45    46    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   45    46    59    50.00000  109.50000
   46    48    49    50.00000  109.50000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.02700
   46    59    57    58.35000  112.70000
   46    59    60    37.50000  110.70000
   46    59    62    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  124.00000
   48    51    54    65.00000  117.04000
   50    48    49    40.00000  107.00000
   51    48    49    85.00000  110.69400
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    57    70.00000  124.00000
   51    54    55    85.00000  113.83300
   51    54    56    85.00000  113.83300
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    61    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    62    50.00000  109.50000
   57    61    64   100.00000  120.50000
   59    46    47    37.50000  110.70000
   59    46    48    58.35000  112.70000
   59    57    58    37.50000  110.70000
   59    62    63    55.00000  108.50000
   62    59    60    35.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   61    64    65   100.00000  108.23000
   61    64    66   100.00000  108.23000
   61    64    67   100.00000   97.56000
   64    67    68    35.00000  111.47000
   64    67    69    35.00000  111.47000
   64    67    70    35.00000  111.47000
   66    64    65   140.00000  119.90000
   67    64    65    85.00000  108.79900
   67    64    66    85.00000  108.79900
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    55.00000  124.75400
   56    54    55    80.00000  126.00000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  109.61100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   1.63150  1.0 1.0
   39    41    45    46   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44   0.91850  1.0 1.0
   41    39    43    44   0.57950  1.0 3.0
   41    45    46    47   0.08050  1.0 3.0
   41    45    46    48  -0.25900  1.0 1.0
   41    45    46    48  -0.47000 -1.0 2.0
   41    45    46    48   0.11750  1.0 3.0
   41    45    46    59  -0.25900  1.0 1.0
   41    45    46    59  -0.47000 -1.0 2.0
   41    45    46    59   0.11750  1.0 3.0
   42    41    45    46   3.00000 -1.0 2.0
   45    46    48    49   0.51850  1.0 1.0
   45    46    48    49  -0.72850 -1.0 2.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51   0.61850  1.0 1.0
   45    46    48    51  -0.22750 -1.0 2.0
   45    46    48    51   0.15300  1.0 3.0
   45    46    59    57   0.62750  1.0 1.0
   45    46    59    57  -0.30950 -1.0 2.0
   45    46    59    57   0.27300  1.0 3.0
   45    46    59    60   0.23400  1.0 3.0
   45    46    59    62   3.69350  1.0 1.0
   45    46    59    62  -1.82950 -1.0 2.0
   46    48    51    52   0.09850  1.0 1.0
   46    48    51    52   0.15250 -1.0 2.0
   46    48    51    52  -0.50650  1.0 3.0
   46    48    51    54   0.09700  1.0 1.0
   46    48    51    54   0.15600 -1.0 2.0
   46    48    51    54  -0.50800  1.0 3.0
   46    59    62    63  -0.11600  1.0 1.0
   46    59    62    63  -0.09450 -1.0 2.0
   46    59    62    63   0.21250  1.0 3.0
   47    46    48    49   0.22100  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    59    57   0.15000  1.0 3.0
   47    46    59    60   0.15000  1.0 3.0
   47    46    59    62   0.23400  1.0 3.0
   48    46    59    57   0.56750  1.0 1.0
   48    46    59    57  -0.07550 -1.0 2.0
   48    46    59    57   0.20000  1.0 3.0
   48    46    59    60   0.15000  1.0 3.0
   48    46    59    62   0.86500  1.0 1.0
   48    46    59    62  -0.17500 -1.0 2.0
   48    46    59    62   0.20800  1.0 3.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51   -52    57   7.00000 -1.0 2.0
   48    51    54    55  -0.64400  1.0 1.0
   48    51    54    55   0.26850 -1.0 2.0
   48    51    54    56  -0.64400  1.0 1.0
   48    51    54    56   0.26850 -1.0 2.0
   49    48    51    52   0.24700  1.0 1.0
   49    48    51    52   0.40650 -1.0 2.0
   49    48    51    52  -0.40300  1.0 3.0
   49    48    51    54   0.09700  1.0 1.0
   49    48    51    54   0.15600 -1.0 2.0
   49    48    51    54  -0.50800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    54   0.15000  1.0 3.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    59   0.09850  1.0 1.0
   51    52    57    59   0.15250 -1.0 2.0
   51    52    57    59  -0.50650  1.0 3.0
   51    52    57    61   0.39000  1.0 1.0
   51    52    57    61  -0.05800 -1.0 2.0
   51    52    57    61  -0.55150  1.0 3.0
   52    51    54    55  -0.04000 -1.0 2.0
   52    51    54    55  -0.29050  1.0 3.0
   52    51    54    56  -0.04000 -1.0 2.0
   52    51    54    56  -0.29050  1.0 3.0
   52    57   -59    46   0.34400  1.0 1.0
   52    57   -59    46   0.09450 -1.0 2.0
   52    57   -59    46   0.11100  1.0 3.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    62   1.05650  1.0 1.0
   52    57    59    62   0.15600 -1.0 2.0
   52    57    59    62   0.53150  1.0 3.0
   52    57    61    64   0.37500  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    61   0.00000  1.0 1.0
   57    59    62    63  -0.11600  1.0 1.0
   57    59    62    63  -0.09450 -1.0 2.0
   57    59    62    63   0.21250  1.0 3.0
   57    61    64    65   0.00000  1.0 1.0
   57    61    64    66   0.00000  1.0 1.0
   57    61    64    67   0.19950  1.0 1.0
   57    61    64    67  -1.11250 -1.0 2.0
   57    61    64    67   0.35000  1.0 3.0
   58    57    59    46   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.23400  1.0 3.0
   58    57    61    64   0.03000  1.0 3.0
   59    46    48    49   0.39650  1.0 1.0
   59    46    48    49  -0.18350 -1.0 2.0
   59    46    48    49   0.41450  1.0 3.0
   59    46    48    50   0.15000  1.0 3.0
   59    46   -48    51   0.34400  1.0 1.0
   59    46   -48    51   0.09450 -1.0 2.0
   59    46   -48    51   0.11100  1.0 3.0
   59    57    61    64  -2.65550  1.0 1.0
   59    57    61    64  -0.22350 -1.0 2.0
   59    57    61    64   0.24150  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    57    59    46   0.62750  1.0 1.0
   61    57    59    46  -0.30950 -1.0 2.0
   61    57    59    46   0.27300  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   3.69350  1.0 1.0
   61    57    59    62  -1.82950 -1.0 2.0
   61    64    67    68   0.07150  1.0 3.0
   61    64    67    69   0.07150  1.0 3.0
   61    64    67    70   0.07150  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    69   0.00000  1.0 1.0
   66    64    67    70   0.00000  1.0 1.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    57   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.30750  1.0 1.0
   43    39    41    45   1.13850 -1.0 2.0
   43    39    41    45   0.38850  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
   37    30    36    38  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   48    54    51    52   1.10000 -1.0 2.0
   57    53    52    51   1.10000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
END
