* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    125    195     370
    1     0 S   NP   _N1_     1    29.35140    93.10887   -18.79354
    2     1 S   H    _HN1     2     1.02957   111.50159    37.07889
    3     1 S   H    _H1_     3     1.02835    30.78092   124.54792
    4     1 S   H    _H2_     4     1.02782    77.80471   -67.99905
    5     1 S   CT   _CA1     5     1.50145   130.45914  -176.88882
    6     5 S   HC   _HA1     6     1.09570   105.24349    31.52103
    7     5 S   CO3  _C1_     7     1.53867   112.16742   -88.68533
    8     7 S   O2Z  _O11     8     1.26373   115.06182   -46.22593
    9     7 S   O2Z  _O12     9     1.26229   114.98627   132.75384
   10     5 S   CT   _CB1    10     1.53086   107.36902   149.41285
   11    10 S   HC   HB11    11     1.09809   109.49434   -49.06013
   12    10 S   HC   HB12    12     1.09828   110.40370    67.49599
   13    10 S   CT   _CG1    13     1.53016   112.61576  -170.24097
   14    13 S   HC   HG11    14     1.09376   110.18829   -56.86208
   15    13 S   HC   HG12    15     1.09599   110.39341    61.80411
   16    13 S   C    _CD1    16     1.51831   111.28670  -178.80712
   17    16 S   O    _OE1    17     1.22835   122.44103   -34.75782
   18    16 S   N    _N2_    18     1.38427   112.52896   146.66500
   19    18 S   H    _HN2    19     1.01738   119.03724    -0.93335
   20    18 S   CT1  _CA2    20     1.46271   123.52399  -178.15517
   21    20 S   HC   _HA2    21     1.09717   109.39347   -12.47052
   22    20 S   C    _C2_    22     1.53375   108.18503  -128.34818
   23    22 S   O    _O2_    23     1.23018   122.29742  -145.63444
   24    20 S   CT   _CB2    32     1.53520   111.43951   109.63607
   25    24 S   HC   HB21    33     1.09416   109.24658    58.84501
   26    24 S   HC   HB22    34     1.09515   110.65109   176.75744
   27    22 S   N    _N3_    24     1.38526   113.40177    41.66928
   28    27 S   H    _HN3    25     1.01528   118.87344    -0.64589
   29    24 S   S    _SG2    35     1.82739   111.58093   -63.79820
   30    27 S   CT   _CA3    26     1.45421   123.32757   175.26848
   31    30 S   HC   HA31    27     1.09535   109.04321    27.93440
   32    30 S   HC   HA32    28     1.09491   107.16590   144.88429
   33    29 S   CT   _C7_    36     1.84774   100.17327   138.61340
   34    33 S   HC   _H3_    37     1.08806   109.09897   -21.19111
   35    30 S   CO3  _C3_    29     1.52933   113.25801   -95.42374
   36    35 S   O2Z  _O31    30     1.26390   115.46450   -43.80454
   37    35 S   O2Z  _O32    31     1.26368   114.94548   137.16035
   38    33 S   CM   _C8_    38     1.52969   108.84564    99.16319
   39    38 S   CT   _C4_    39     1.53021   115.01872    76.17881
   40    39 S   HC   _H8_    40     1.09655   109.30931   -85.28870
   41    39 S   HC   _H9_    41     1.09612   111.13133   156.66818
   42    38 S   CMA  _C9_    65     1.36256   124.12567  -105.13122
   43    42 S   OM   _O33    66     1.25977   130.02707  -179.72876
   44    39 S   CM   _C5_    42     1.50006   113.13732    35.94086
   45    44 S   HC   _H10    43     1.08480   118.53272   167.51214
   46    42 S   NE   _N5_    67     1.36763   123.06451     1.20723
   47    46 S   H    _H12    68     1.00741   122.79040     0.14127
   48    46 S   H    _H13    69     1.01188   117.04276   179.49140
   49    44 S   CM   _C6_    44     1.33671   121.33106   -12.31624
   50    49 S   HC   _H11    45     1.08469   120.96215   178.67205
   51    33 S   N*   _N4_    46     1.48099   110.02761  -139.04550
   52    51 S   CO   _C10    47     1.47834   118.75336    82.86884
   53    52 S   HC   _H4_    48     1.09658   107.90554  -124.85368
   54    52 S   CT   _C11    49     1.53399   114.36713   112.76424
   55    54 S   HC   _H5_    50     1.09774   107.99242   148.87518
   56    54 S   CT   _C12    51     1.51575   103.38417   -96.78714
   57    56 S   HC   _H6_    52     1.09422   112.62552  -158.77404
   58    54 S   OH   _O37    63     1.41227   115.77558    28.64392
   59    58 S   HO   _H18    64     0.97175   107.77114  -163.03041
   60    56 S   CT   _C13    53     1.52385   100.69211   -37.84315
   61    60 S   HC   _H7_    54     1.09687   110.10692   -78.37041
   62    56 S   OH   _O36    61     1.42209   110.01076    80.71700
   63    62 S   HO   _H17    62     0.97183   108.01123   173.20035
   64    52 S   OS   _O34    55     1.44787   112.83757    -7.55476
   65    60 S   CT   _C14    56     1.52276   115.08973   156.80274
   66    65 S   HC   _H14    57     1.09437   110.63647    53.87136
   67    65 S   HC   _H15    58     1.09369   111.62769   -68.30572
   68    65 S   OH   _O35    59     1.42458   109.50519   172.86161
   69    68 S   HO   _H16    60     0.97287   106.94108  -177.04746
  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
  16   6   2   1   1  13  10   5   4   6   3   5   3   2   1   1
   6   2   8  12   6  11   7  12   7   4   1   9   6   3   1   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    52    53    54    64    42    43    46  
   38    39    49    51    52    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    51    52    42    43    46    47    48  
   40    41    44    45    49    50    51    42    43    46  
   41    44    45    49    42  
   44    45    49    42  
   43    46    47    48    44    51  
   46    47    48  
   45    49    50    51    52  
   49    50    51  
   47    48  
   48  
    0  
   50    51    52    53    54    64  
   51    52  
   52    53    54    55    56    60    64    58  
   53    54    55    56    57    60    61    64    65    62    58    59  
   54    55    56    60    64    58  
   55    56    57    60    61    64    65    62    63    58    59  
   56    57    60    64    62    58    59  
   57    60    61    64    65    66    67    68    62    63    58    59  
   60    61    64    65    62    63    58  
   59    60    62    64  
    0  
   61    64    65    66    67    68    69    62    63  
   64    65    66    67    68    62  
   63    64    65  
    0  
   65    66    67    68  
   66    67    68    69  
   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   0.342800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    51   337.000  1.475
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    51   448.000  1.365
   51    52   275.000  1.479
   52    53   340.000  1.090
   52    54   250.000  1.527
   52    64   320.000  1.380
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   320.000  1.410
   60    61   340.000  1.090
   60    64   320.000  1.410
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   320.000  1.410
   68    69   553.000  0.945
   62    63   553.000  0.945
   58    59   553.000  0.945
   42    43   745.000  1.250
   42    46   415.000  1.382
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    51    80.00000  108.62000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    51    49    70.00000  121.20000
   33    51    52    65.00000  120.78000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  110.12100
   38    42    43    65.00000  137.10300
   38    42    46    75.00000  114.40000
   39    44    45    35.00000  117.00000
   39    44    49    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    51    70.00000  121.20000
   49    44    45    35.00000  120.00000
   49    51    52    70.00000  121.20000
   51    33    34    35.00000  109.50000
   51    33    38    80.00000  111.76000
   51    49    50    35.00000  119.10000
   51    52    53    55.00000  103.44000
   51    52    54    75.00000  107.44000
   51    52    64   105.00000  106.22000
   52    54    55    45.00000  108.72000
   52    54    56    75.00000  109.43000
   52    54    58    90.00000  111.58700
   52    64    60    60.00000  109.50000
   54    52    53    45.00000  112.01100
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    62    50.00000  109.50000
   54    58    59    55.00000  108.50000
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    50.00000  109.50000
   56    60    65    58.35000  112.70000
   56    62    63    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    50.00000  109.50000
   64    52    53    35.00000  109.50000
   64    52    54    90.00000  108.56700
   64    60    61    35.00000  109.50000
   65    60    61    37.50000  110.70000
   65    60    64    50.00000  109.50000
   65    68    69    55.00000  108.50000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   62    56    57    35.00000  109.50000
   62    56    60    50.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    56    50.00000  109.50000
   42    38    39    70.00000  124.00000
   42    46    47    50.00000  121.48000
   42    46    48    50.00000  121.48000
   46    42    43   105.00000  113.92000
   48    46    47    35.00000  109.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    51    49   0.68100  1.0 1.0
   29    33    51    49   0.03350 -1.0 2.0
   29    33    51    49   0.36200  1.0 3.0
   29    33    51    52   0.68100  1.0 1.0
   29    33    51    52   0.03350 -1.0 2.0
   29    33    51    52   0.36200  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.09700  1.0 1.0
   33    38    39    44   0.15600 -1.0 2.0
   33    38    39    44  -0.50800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    51    52    53   0.00000  1.0 1.0
   33    51    52    54   2.08450  1.0 1.0
   33    51    52    54  -0.39300 -1.0 2.0
   33    51    52    54   0.23400  1.0 3.0
   33    51    52    64   0.10350  1.0 1.0
   33    51    52    64  -0.15350 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    51    49   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    49   0.68100  1.0 1.0
   38    33    51    49   0.03350 -1.0 2.0
   38    33    51    49   0.36200  1.0 3.0
   38    33    51    52   0.68100  1.0 1.0
   38    33    51    52   0.03350 -1.0 2.0
   38    33    51    52   0.36200  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39   -44    49  -0.28300  1.0 1.0
   38    39   -44    49   0.26700 -1.0 2.0
   38    39   -44    49  -0.63300  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    48   1.00000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    49    50   7.00000 -1.0 2.0
   39    44    49    51   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    49   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    49   0.00000  1.0 1.0
   44    49   -51    33  -0.88150  1.0 1.0
   44    49   -51    33   2.95600 -1.0 2.0
   44    49    51    52  -0.88150  1.0 1.0
   44    49    51    52   2.95600 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    51   7.00000 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   2.08450  1.0 1.0
   49    51    52    54  -0.39300 -1.0 2.0
   49    51    52    54   0.23400  1.0 3.0
   49    51    52    64  -0.28000  1.0 1.0
   49    51    52    64  -1.16550 -1.0 2.0
   50    49    51    33   1.88100 -1.0 2.0
   50    49    51    52   1.88100 -1.0 2.0
   51    33   -38    39   0.09700  1.0 1.0
   51    33   -38    39   0.15600 -1.0 2.0
   51    33   -38    39  -0.50800  1.0 3.0
   51    33    38    42   0.62150  1.0 1.0
   51    33    38    42   0.42850 -1.0 2.0
   51    33    38    42  -0.68200  1.0 3.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56  -0.27100  1.0 1.0
   51    52    54    56  -0.01700 -1.0 2.0
   51    52    54    56  -0.48600  1.0 3.0
   51    52    54    58   2.76900  1.0 1.0
   51    52    54    58  -0.24350 -1.0 2.0
   51    52    54    58  -0.78250  1.0 3.0
   51    52    64    60  -2.37750  1.0 1.0
   51    52    64    60  -0.08150 -1.0 2.0
   51    52    64    60   0.59000  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54   -56    60   3.97050  1.0 1.0
   52    54    56    62   0.86500  1.0 1.0
   52    54    56    62  -0.17500 -1.0 2.0
   52    54    56    62   0.20800  1.0 3.0
   52    54    58    59  -0.11600  1.0 1.0
   52    54    58    59  -0.09450 -1.0 2.0
   52    54    58    59   0.21250  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    58   0.23400  1.0 3.0
   53    52    64    60   0.37050  1.0 3.0
   54    52   -64    60   0.06250  1.0 1.0
   54    52   -64    60  -0.01100 -1.0 2.0
   54    52   -64    60   0.28050  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56   -60    64   0.62750  1.0 1.0
   54    56   -60    64  -0.30950 -1.0 2.0
   54    56   -60    64   0.27300  1.0 3.0
   54    56    60    65   0.56750  1.0 1.0
   54    56    60    65  -0.07550 -1.0 2.0
   54    56    60    65   0.20000  1.0 3.0
   54    56    62    63  -0.11600  1.0 1.0
   54    56    62    63  -0.09450 -1.0 2.0
   54    56    62    63   0.21250  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    62   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59  -0.11600  1.0 1.0
   56    54    58    59  -0.09450 -1.0 2.0
   56    54    58    59   0.21250  1.0 3.0
   56    60   -64    52   0.06250  1.0 1.0
   56    60   -64    52  -0.01100 -1.0 2.0
   56    60   -64    52   0.28050  1.0 3.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    68   0.86500  1.0 1.0
   56    60    65    68  -0.17500 -1.0 2.0
   56    60    65    68   0.20800  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.23400  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63  -0.11600  1.0 1.0
   60    56    62    63  -0.09450 -1.0 2.0
   60    56    62    63   0.21250  1.0 3.0
   60    65    68    69  -0.11600  1.0 1.0
   60    65    68    69  -0.09450 -1.0 2.0
   60    65    68    69   0.21250  1.0 3.0
   61    60    64    52   0.37050  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.23400  1.0 3.0
   64    52    54    55   0.23400  1.0 3.0
   64    52   -54    56   0.62750  1.0 1.0
   64    52   -54    56  -0.30950 -1.0 2.0
   64    52   -54    56   0.27300  1.0 3.0
   64    52    54    58   3.69350  1.0 1.0
   64    52    54    58  -1.82950 -1.0 2.0
   64    60    65    66   0.23400  1.0 3.0
   64    60    65    67   0.23400  1.0 3.0
   64    60    65    68   3.69350  1.0 1.0
   64    60    65    68  -1.82950 -1.0 2.0
   65    60    64    52   0.06250  1.0 1.0
   65    60    64    52  -0.01100 -1.0 2.0
   65    60    64    52   0.28050  1.0 3.0
   66    65    68    69   0.19450  1.0 3.0
   67    65    68    69   0.19450  1.0 3.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64   3.69350  1.0 1.0
   62    56    60    64  -1.82950 -1.0 2.0
   62    56    60    65   0.86500  1.0 1.0
   62    56    60    65  -0.17500 -1.0 2.0
   62    56    60    65   0.20800  1.0 3.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    60   0.86500  1.0 1.0
   58    54    56    60  -0.17500 -1.0 2.0
   58    54    56    60   0.20800  1.0 3.0
   58    54    56    62   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44  -0.28300  1.0 1.0
   42    38    39    44   0.26700 -1.0 2.0
   42    38    39    44  -0.63300  1.0 3.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    48   1.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   39    45    44    49   1.10000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   52    49    51    33   1.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
