* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    122    186     349
    1     0 S   NP   _N1_     1    28.93309    94.08580   -19.38050
    2     1 S   H    _HN1     2     1.02911    98.65135    23.61435
    3     1 S   H    _H1_     3     1.02868    35.96906   131.07336
    4     1 S   H    _H2_     4     1.02816    77.79859   -83.26089
    5     1 S   CT   _CA1     5     1.50071   142.79941   166.23711
    6     5 S   HC   _HA1     6     1.09569   105.25227    38.60595
    7     5 S   CO3  _C1_     7     1.53952   112.13268   -81.77073
    8     7 S   O2Z  _O11     8     1.26471   115.19051   -52.59091
    9     7 S   O2Z  _O12     9     1.26181   114.95682   126.61359
   10     5 S   CT   _CB1    10     1.53136   107.52815   156.58996
   11    10 S   HC   HB11    11     1.09816   109.86525   -47.24283
   12    10 S   HC   HB12    12     1.09823   110.31898    69.47563
   13    10 S   CT   _CG1    13     1.53049   112.34169  -168.09739
   14    13 S   HC   HG11    14     1.09478   110.49357   -53.47760
   15    13 S   HC   HG12    15     1.09626   110.06051    65.38149
   16    13 S   C    _CD1    16     1.51821   112.06134  -174.36069
   17    16 S   O    _OE1    17     1.22735   123.03752   -13.22071
   18    16 S   N    _N2_    18     1.38570   111.79623   167.37003
   19    18 S   H    _HN2    19     1.01571   119.04710     1.89217
   20    18 S   CT1  _CA2    20     1.46341   123.49200  -177.20992
   21    20 S   HC   _HA2    21     1.09729   109.47446   -10.78266
   22    20 S   C    _C2_    22     1.53384   108.21664  -126.55326
   23    22 S   O    _O2_    23     1.23008   122.31898  -144.49540
   24    20 S   CT   _CB2    32     1.53573   111.12484   111.33586
   25    24 S   HC   HB21    33     1.09234   109.09976    56.58790
   26    24 S   HC   HB22    34     1.09517   110.45543   174.57173
   27    22 S   N    _N3_    24     1.38532   113.32599    42.77416
   28    27 S   H    _HN3    25     1.01522   118.91337    -0.43611
   29    24 S   S    _SG2    35     1.82883   111.07153   -66.67588
   30    27 S   CT   _CA3    26     1.45445   123.41009   175.17298
   31    30 S   HC   HA31    27     1.09526   109.19249    25.27715
   32    30 S   HC   HA32    28     1.09494   107.13233   142.27398
   33    29 S   CT   _C6_    36     1.90064   103.21943   146.78865
   34    30 S   CO3  _C3_    29     1.52928   113.14835   -98.16902
   35    34 S   O2Z  _O31    30     1.26399   115.41816   -44.16360
   36    34 S   O2Z  _O32    31     1.26357   114.97328   136.77747
   37    33 S   CM   _C11    37     1.55116   104.55936   173.39853
   38    33 S   CT   _C5_    59     1.55661   108.65394    53.36592
   39    38 S   HC   _H8_    60     1.09600   110.52194   -58.01963
   40    38 S   HC   _H9_    61     1.09708   110.49690    58.62712
   41    37 S   N4   _N4_    38     1.36354   118.91550    90.37010
   42    37 S   CMA  _C12    56     1.53275   121.16866   -78.98704
   43    42 S   OM   _O34    57     1.26354   119.86247  -109.14008
   44    42 S   OM   _O35    58     1.26271   121.59330    72.29578
   45    38 S   CT   _C4_    62     1.52801   115.16957  -178.39733
   46    45 S   HC   _H5_    63     1.09195   112.53825   -51.31366
   47    45 S   HC   _H6_    64     1.09521   109.70398  -171.37973
   48    45 S   HC   _H7_    65     1.09409   111.25092    70.35144
   49    41 S   C4   _C10    39     1.35310   136.96961  -159.62279
   50    49 S   O    _O33    40     1.20837   134.85830    -2.35958
   51    41 S   C4T  _C8_    43     1.45021   126.04708    29.93753
   52    51 S   HC   _H3_    44     1.09806   111.74438    75.71160
   53    49 S   C4T  _C9_    41     1.56803    89.19718   172.98410
   54    53 S   HC   _H4_    42     1.09385   115.31641   127.86174
   55    51 S   S    _S1_    45     1.80226   111.59504   -52.33269
   56    33 S   CT   _C7_    46     1.55832   108.30991   -65.93834
   57    56 S   HC   _H10    47     1.09297   112.33964    58.46961
   58    56 S   HC   _H11    48     1.09571   110.34782   176.23303
   59    53 S   NP   _N5_    49     1.48612   109.60106  -101.92885
   60    59 S   H    _H12    50     1.03067   111.16664    39.91090
   61    59 S   H    _H13    51     1.03511   110.76792   156.79867
   62    59 S   CT   _C13    52     1.48441   109.78297   -82.69381
   63    62 S   HC   _H14    53     1.09296   108.75550   -59.56324
   64    62 S   HC   _H15    54     1.09208   109.20061    62.48990
   65    62 S   HC   _H16    55     1.09268   107.11597  -178.48173
  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  12   5   4   3
  18   2   1   1  17  12   6   5  12   5   1   1   4   2   1   1
  10   4  11   5  10   5   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    55    56    57    58    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    49    51    55    56    57    58    42    43    44    38    39    40    45    46    47    48  
   35    36  
   36  
    0  
   41    49    50    53    51    52    55    56    57    58    42    43    44    38    39    40    45  
   39    40    45    46    47    48    41    42    55    56    57    58  
   40    45    46    47    48    56  
   45    46    47    48    56  
   49    50    53    54    51    52    55    56    59    42    43    44  
   43    44    49    51    56  
   44  
    0  
   46    47    48    56  
   47    48  
   48  
    0  
   50    53    54    51    52    55    59    60    61    62  
   53    54    51    59  
   52    55    56    57    58    59    60    61    62    53    54  
   55    56    59    53    54  
   54    55    56    59    60    61    62    63    64    65  
   55    59    60    61    62  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    49   440.000  1.369
   41    51   305.000  1.456
   49    50   930.000  1.212
   49    53   250.000  1.540
   53    54   340.000  1.090
   53    51   268.000  1.529
   53    59   367.000  1.471
   51    52   340.000  1.090
   51    55   200.000  1.824
   55    56   222.000  1.810
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   367.000  1.471
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    56    55    75.00000  111.63000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    58.35000  112.70000
   37    41    49    50.00000  132.10000
   37    41    51    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    49    50    75.00000  131.60000
   41    49    53    95.00000   92.72400
   41    51    53   105.00000   87.49700
   41    51    52    50.00000  112.01000
   41    51    55    80.00000  108.62000
   49    53    54    40.00000  113.37500
   49    53    51   100.00000   86.36000
   49    53    59    80.00000  109.26000
   53    49    50    60.00000  136.58000
   53    51    52    37.50000  110.70000
   53    51    55    65.00000  119.05700
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    75.00000  113.01200
   51    41    49   100.00000   93.00000
   51    53    54    37.50000  110.70000
   51    55    56    85.00000   99.86700
   55    51    52    45.00000  109.41400
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   56    33    37    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    51    80.00000  111.20000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    45    48    37.50000  110.70000
   40    38    39    33.00000  107.80000
   45    38    39    37.50000  110.70000
   45    38    40    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    55   0.56750  1.0 1.0
   29    33    56    55  -0.07550 -1.0 2.0
   29    33    56    55   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   33    37    41    49   0.00000  1.0 1.0
   33    37    41    51   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    45    48   0.15000  1.0 3.0
   37    33    56    55   0.56750  1.0 1.0
   37    33    56    55  -0.07550 -1.0 2.0
   37    33    56    55   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.34400  1.0 1.0
   37    33    38    45   0.09450 -1.0 2.0
   37    33    38    45   0.11100  1.0 3.0
   37    41    49    50   3.00000 -1.0 2.0
   37    41    49    53   3.00000 -1.0 2.0
   37    41   -51    53   0.00000  1.0 1.0
   37    41    51    52   0.00000  1.0 1.0
   37    41   -51    55   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    49    53    54   0.00000  1.0 1.0
   41    49   -53    51   3.00000 -1.0 2.0
   41    49    53    59   0.00000  1.0 1.0
   41    51    55    56   0.01700  1.0 1.0
   41    51    55    56  -0.23550 -1.0 2.0
   41    51    55    56   0.21350  1.0 3.0
   49    41   -51    53   0.00000  1.0 1.0
   49    41    51    52   0.00000  1.0 1.0
   49    41    51    55   0.00000  1.0 1.0
   49    53   -51    41   3.00000 -1.0 2.0
   49    53   -51    52   0.15000  1.0 3.0
   49    53   -51    55   0.00000  1.0 1.0
   49    53    59    60   0.17350  1.0 3.0
   49    53    59    61   0.17350  1.0 3.0
   49    53    59    62   0.47100  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    51  -0.11250  1.0 1.0
   50    49    53    51   0.11400 -1.0 2.0
   50    49    53    51  -0.28950  1.0 3.0
   50    49    53    59   0.30150 -1.0 2.0
   53    51    55    56   0.25150  1.0 1.0
   53    51    55    56  -1.17200 -1.0 2.0
   53    51    55    56   0.53050  1.0 3.0
   53    59    62    63   0.15000  1.0 3.0
   53    59    62    64   0.15000  1.0 3.0
   53    59    62    65   0.15000  1.0 3.0
   54    53   -51    41   0.15000  1.0 3.0
   54    53    51    52   0.15000  1.0 3.0
   54    53    51    55   0.00000  1.0 1.0
   54    53    59    60   0.13050  1.0 3.0
   54    53    59    61   0.13050  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   51    41   -49    50   3.00000 -1.0 2.0
   51    41   -49    53   3.00000 -1.0 2.0
   51    53    59    60   0.17350  1.0 3.0
   51    53    59    61   0.17350  1.0 3.0
   51    53    59    62   0.47100  1.0 1.0
   51    55   -56    33  -0.25000 -1.0 2.0
   51    55   -56    33  -0.01800  1.0 3.0
   51    55    56    57   0.32350  1.0 3.0
   51    55    56    58   0.32350  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   56    33   -37    41  -0.93550  1.0 1.0
   56    33   -37    41   0.38900 -1.0 2.0
   56    33   -37    41   0.16950  1.0 3.0
   56    33    37    42   0.09850  1.0 1.0
   56    33    37    42   0.15250 -1.0 2.0
   56    33    37    42  -0.50650  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33    38    45   0.56750  1.0 1.0
   56    33    38    45  -0.07550 -1.0 2.0
   56    33    38    45   0.20000  1.0 3.0
   59    53   -51    41   3.05550  1.0 1.0
   59    53   -51    41   2.44300 -1.0 2.0
   59    53   -51    41   0.51100  1.0 3.0
   59    53    51    52   0.19200  1.0 3.0
   59    53    51    55   0.00000  1.0 1.0
   60    59    62    63   0.13050  1.0 3.0
   60    59    62    64   0.13050  1.0 3.0
   60    59    62    65   0.13050  1.0 3.0
   61    59    62    63   0.13050  1.0 3.0
   61    59    62    64   0.13050  1.0 3.0
   61    59    62    65   0.13050  1.0 3.0
   42    37    41    49   0.00000  1.0 1.0
   42    37    41    51   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    56    55   0.44750  1.0 1.0
   38    33    56    55  -0.17800 -1.0 2.0
   38    33    56    55   0.20200  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    47   0.15000  1.0 3.0
   39    38    45    48   0.15000  1.0 3.0
   40    38    45    46   0.15000  1.0 3.0
   40    38    45    47   0.15000  1.0 3.0
   40    38    45    48   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   51    49    41    37   1.00000 -1.0 2.0
   41    53    49    50  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
END
