* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    125    187     367
    1     0 S   NP   _N1_     1    29.07158    94.48773   -22.47605
    2     1 S   H    _HN1     2     1.02950    87.77607     4.53984
    3     1 S   H    _H1_     3     1.02831    28.14965   138.68032
    4     1 S   H    _H2_     4     1.02785    95.79893  -103.67231
    5     1 S   CT   _CA1     5     1.50106   138.19684   123.26061
    6     5 S   HC   _HA1     6     1.09571   105.23066    67.03107
    7     5 S   CO3  _C1_     7     1.53814   112.33404   -53.26681
    8     7 S   O2Z  _O11     8     1.26379   115.01727   -45.16014
    9     7 S   O2Z  _O12     9     1.26237   114.93201   133.92882
   10     5 S   CT   _CB1    10     1.53066   107.42763  -174.98249
   11    10 S   HC   HB11    11     1.09830   109.47410   -49.50910
   12    10 S   HC   HB12    12     1.09826   110.42040    67.11452
   13    10 S   CT   _CG1    13     1.52991   112.57125  -170.49161
   14    13 S   HC   HG11    14     1.09591   110.53333   -62.68908
   15    13 S   HC   HG12    15     1.09650   109.96063    56.60592
   16    13 S   C    _CD1    16     1.51730   112.16119   177.06002
   17    16 S   O    _OE1    17     1.22738   123.26369     0.64163
   18    16 S   N    _N2_    18     1.38673   111.71227  -179.34389
   19    18 S   H    _HN2    19     1.01564   119.15136     3.08159
   20    18 S   CT1  _CA2    20     1.46057   123.12593  -178.63527
   21    20 S   HC   _HA2    21     1.09489   108.90121     2.83131
   22    20 S   C    _C2_    22     1.53485   109.35952  -112.21556
   23    22 S   O    _O2_    23     1.23073   122.16138  -150.17319
   24    20 S   CT   _CB2    32     1.53471   111.76601   124.96891
   25    24 S   HC   HB21    33     1.09681   109.22416    66.91983
   26    24 S   HC   HB22    34     1.09472   111.09029  -176.31602
   27    22 S   N    _N3_    24     1.38300   113.82623    37.35414
   28    27 S   H    _HN3    25     1.01586   119.57139    -3.50308
   29    24 S   S    _SG2    35     1.83046   114.72753   -51.79888
   30    27 S   CT   _CA3    26     1.45279   123.13337   176.90794
   31    30 S   HC   HA31    27     1.09553   107.53503   -63.61351
   32    30 S   HC   HA32    28     1.09559   107.94221    52.79531
   33    29 S   CT   _C11    36     1.86892   101.37039   -70.12491
   34    33 S   HC   _H3_    37     1.08657   103.48951    36.84141
   35    30 S   CO3  _C3_    29     1.52936   114.13984   174.77933
   36    35 S   O2Z  _O31    30     1.26366   116.07729    -0.64346
   37    35 S   O2Z  _O32    31     1.26431   114.40315   179.41283
   38    33 S   CM   _C12    38     1.51269   106.20230   -81.32551
   39    38 S   HC   _H10    39     1.09249   113.98498   -69.29656
   40    33 S   CT   _C10    46     1.59181   112.54235   151.31146
   41    38 S   CMA  _C13    40     1.35348   130.39979   110.33571
   42    41 S   OM   _O34    41     1.26324   128.12839   179.39348
   43    40 S   CM   _C5_    47     1.54232   113.25996    70.23621
   44    40 S   OH   _O35    68     1.44570   105.53817   -49.33440
   45    44 S   HO   _H14    69     0.97152   108.78320   162.89606
   46    41 S   CT   _C14    42     1.51751   121.77723    -0.95736
   47    46 S   HC   _H11    43     1.09765   110.77269   112.67018
   48    46 S   HC   _H12    44     1.09088   113.82956    -7.71040
   49    46 S   HC   _H13    45     1.09853   111.29694  -126.86191
   50    43 S   CM   _C6_    48     1.34522   122.50003   101.40159
   51    50 S   HC   _H7_    49     1.08540   121.71270  -179.71129
   52    43 S   CT   _C4_    64     1.50904   119.58713   -79.25838
   53    52 S   HC   _H4_    65     1.09345   111.80216   -44.65140
   54    52 S   HC   _H5_    66     1.09642   111.63463  -163.57641
   55    52 S   HC   _H6_    67     1.09232   111.03361    77.38678
   56    50 S   CO4  _C7_    50     1.48043   122.47225    -0.75950
   57    56 S   O    _O33    51     1.23036   119.36316  -175.24338
   58    56 S   CT   _C8_    52     1.50885   119.16234     3.33084
   59    58 S   HC   _H8_    53     1.09767   107.51605   144.67623
   60    58 S   HC   _H9_    54     1.09276   107.90523  -100.68450
   61    40 S   CT   _C9_    55     1.59768   113.77525  -164.10136
   62    61 S   CT   _C15    56     1.56091   111.31891   163.07739
   63    62 S   HC   _H15    57     1.09587   111.52232   -67.32149
   64    62 S   HC   _H16    58     1.09676   110.97001   173.96210
   65    62 S   HC   _H17    59     1.09399   112.67179    53.86721
   66    61 S   CT   _C16    60     1.54587   112.61076    45.25971
   67    66 S   HC   _H18    61     1.09483   111.44084    52.29433
   68    66 S   HC   _H19    62     1.09276   112.09896   -69.33093
   69    66 S   HC   _H20    63     1.09674   111.01406   171.96820
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  11   4  23   5   4  14   7   1   3   2   1
   1  11   4   5   2   1   1   7   4  11   4   3   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    61    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    40    43    50    58    61    62    66    52    44    45  
   38    39    41    40    43    61    44  
   36    37  
   37  
    0  
   39    41    42    46    47    48    49    40    43    61    44  
   41    42    46    40  
   43    50    51    56    58    59    60    61    62    63    64    65    66    67    68    69    52    53    54    55    44    45    41  
   42    46    47    48    49  
   46    47    48    49  
   50    51    56    57    58    61    62    66    52    53    54    55    44    45  
   45    50    52    58    61    62    66  
   61  
   47    48    49  
   48    49  
   49  
    0  
   51    56    57    58    59    60    61    52    53    54    55  
   56    57    58    52  
   53    54    55    56    61  
   54    55  
   55  
    0  
   57    58    59    60    61    62    66  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    66  
   61    62    66  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    43   317.000  1.510
   40    61   268.000  1.529
   40    44   320.000  1.410
   43    50   549.000  1.340
   43    52   317.000  1.510
   50    51   340.000  1.080
   50    56   320.000  1.462
   56    57   570.000  1.229
   56    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   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    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  112.02700
   33    40    61    58.35000  112.70000
   33    40    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    48    45.00000  110.52000
   41    46    49    45.00000  110.52000
   46    41    42    85.00000  112.85300
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    50    70.00000  124.00000
   40    43    52    65.00000  117.92700
   40    61    58    58.35000  112.70000
   40    61    62    58.35000  112.70000
   40    61    66    58.35000  112.70000
   40    44    45    55.00000  108.50000
   43    50    51    35.00000  120.00000
   43    50    56    65.00000  118.96000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   50    56    57    80.00000  123.72100
   50    56    58    65.00000  118.62400
   56    50    51    40.00000  117.72500
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    63.00000  111.10000
   58    56    57    80.00000  120.40000
   58    61    62    58.35000  112.70000
   58    61    66    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    40    43    70.00000  112.02700
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    43    50    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    40    43    90.00000  110.39200
   44    40    61    50.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    40    43    50   0.09850  1.0 1.0
   33    40    43    50   0.15250 -1.0 2.0
   33    40    43    50  -0.50650  1.0 3.0
   33    40    43    52   0.46850  1.0 1.0
   33    40    43    52   0.08550 -1.0 2.0
   33    40    43    52   0.09800  1.0 3.0
   33    40    61    58   0.56750  1.0 1.0
   33    40    61    58  -0.07550 -1.0 2.0
   33    40    61    58   0.20000  1.0 3.0
   33    40    61    62   0.56750  1.0 1.0
   33    40    61    62  -0.07550 -1.0 2.0
   33    40    61    62   0.20000  1.0 3.0
   33    40    61    66   0.56750  1.0 1.0
   33    40    61    66  -0.07550 -1.0 2.0
   33    40    61    66   0.20000  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    61   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    43   0.31000  1.0 1.0
   38    33    40    43   0.14700 -1.0 2.0
   38    33    40    43   0.07550  1.0 3.0
   38    33    40    61   0.34400  1.0 1.0
   38    33    40    61   0.09450 -1.0 2.0
   38    33    40    61   0.11100  1.0 3.0
   38    33    40    44   1.05650  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44   0.53150  1.0 3.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    49   0.00000  1.0 1.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    46   7.00000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    46    49   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    43    50    51   7.00000 -1.0 2.0
   40    43    50    56   7.00000 -1.0 2.0
   40    43    52    53   0.34800  1.0 3.0
   40    43    52    54   0.34800  1.0 3.0
   40    43    52    55   0.34800  1.0 3.0
   40    61    62    63   0.15000  1.0 3.0
   40    61    62    64   0.15000  1.0 3.0
   40    61    62    65   0.15000  1.0 3.0
   40    61    66    67   0.15000  1.0 3.0
   40    61    66    68   0.15000  1.0 3.0
   40    61    66    69   0.15000  1.0 3.0
   43    40    61    58   0.34400  1.0 1.0
   43    40    61    58   0.09450 -1.0 2.0
   43    40    61    58   0.11100  1.0 3.0
   43    40    61    62   0.34400  1.0 1.0
   43    40    61    62   0.09450 -1.0 2.0
   43    40    61    62   0.11100  1.0 3.0
   43    40    61    66   0.34400  1.0 1.0
   43    40    61    66   0.09450 -1.0 2.0
   43    40    61    66   0.11100  1.0 3.0
   43    40    44    45  -0.07800  1.0 1.0
   43    40    44    45  -0.21500 -1.0 2.0
   43    40    44    45  -0.03150  1.0 3.0
   43    50    56    57   1.00000 -1.0 2.0
   43    50   -56    58  -0.33500  1.0 1.0
   43    50   -56    58   1.06600 -1.0 2.0
   43    50   -56    58  -0.14000  1.0 3.0
   50    43    52    53   0.00000  1.0 1.0
   50    43    52    54   0.00000  1.0 1.0
   50    43    52    55   0.00000  1.0 1.0
   50    56    58    59   0.00000  1.0 1.0
   50    56    58    60   0.00000  1.0 1.0
   50    56    58    61   0.65300  1.0 1.0
   50    56    58    61  -0.03850 -1.0 2.0
   50    56    58    61   0.33900  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.04550  1.0 1.0
   51    50    56    58   0.83000 -1.0 2.0
   51    50    56    58  -0.04000  1.0 3.0
   56    58   -61    40  -0.95700  1.0 1.0
   56    58   -61    40  -0.18200 -1.0 2.0
   56    58   -61    40   0.29450  1.0 3.0
   56    58    61    62  -0.95700  1.0 1.0
   56    58    61    62  -0.18200 -1.0 2.0
   56    58    61    62   0.29450  1.0 3.0
   56    58    61    66  -0.95700  1.0 1.0
   56    58    61    66  -0.18200 -1.0 2.0
   56    58    61    66   0.29450  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.00000  1.0 1.0
   57    56    58    61   0.30150 -1.0 2.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61    62    65   0.15000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    66    68   0.15000  1.0 3.0
   58    61    66    69   0.15000  1.0 3.0
   59    58    61    40   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   60    58    61    40   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    66   0.15000  1.0 3.0
   61    40   -43    50   0.09850  1.0 1.0
   61    40   -43    50   0.15250 -1.0 2.0
   61    40   -43    50  -0.50650  1.0 3.0
   61    40    43    52   0.46850  1.0 1.0
   61    40    43    52   0.08550 -1.0 2.0
   61    40    43    52   0.09800  1.0 3.0
   61    40    44    45  -0.11600  1.0 1.0
   61    40    44    45  -0.09450 -1.0 2.0
   61    40    44    45   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    65   0.15000  1.0 3.0
   52    43    50    51   7.00000 -1.0 2.0
   52    43    50    56   7.00000 -1.0 2.0
   44    40    43    50   0.67800  1.0 1.0
   44    40    43    50   0.47050 -1.0 2.0
   44    40    43    50  -0.62500  1.0 3.0
   44    40    43    52   0.18000  1.0 1.0
   44    40    43    52   0.16450 -1.0 2.0
   44    40    43    52   0.04450  1.0 3.0
   44    40    61    58   0.86500  1.0 1.0
   44    40    61    58  -0.17500 -1.0 2.0
   44    40    61    58   0.20800  1.0 3.0
   44    40    61    62   0.86500  1.0 1.0
   44    40    61    62  -0.17500 -1.0 2.0
   44    40    61    62   0.20800  1.0 3.0
   44    40    61    66   0.86500  1.0 1.0
   44    40    61    66  -0.17500 -1.0 2.0
   44    40    61    66   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   46    42    41    38  15.00000 -1.0 2.0
   40    52    43    50   1.10000 -1.0 2.0
   56    51    50    43   1.10000 -1.0 2.0
   50    58    56    57  10.50000 -1.0 2.0
END
