* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    154    230     452
    1     0 S   NP   _N1_     1    29.65041    91.32582   -23.35211
    2     1 S   H    _HN1     2     1.02771   109.63363   -74.86155
    3     1 S   H    _H1_     3     1.02966    95.89243    37.03231
    4     1 S   H    _H2_     4     1.02828    11.55681  -158.46001
    5     1 S   CT   _CA1     5     1.50155   118.86176   154.12245
    6     5 S   HC   _HA1     6     1.09581   105.18682    68.22258
    7     5 S   CO3  _C1_     7     1.53781   112.44413   -51.78755
    8     7 S   O2Z  _O11     8     1.26350   115.01180   -41.24286
    9     7 S   O2Z  _O12     9     1.26255   114.91916   137.79590
   10     5 S   CT   _CB1    10     1.53077   107.35441  -174.00021
   11    10 S   HC   HB11    11     1.09821   109.15526   -51.47750
   12    10 S   HC   HB12    12     1.09817   110.42386    64.95958
   13    10 S   CT   _CG1    13     1.53018   112.81041  -172.71344
   14    13 S   HC   HG11    14     1.09595   110.28985   -65.27846
   15    13 S   HC   HG12    15     1.09641   110.13480    53.98575
   16    13 S   C    _CD1    16     1.51780   112.24892   174.10395
   17    16 S   O    _OE1    17     1.22759   123.19659    -7.60705
   18    16 S   N    _N2_    18     1.38720   111.76535   172.99705
   19    18 S   H    _HN2    19     1.01585   119.15229     0.88160
   20    18 S   CT1  _CA2    20     1.46056   123.12535  -178.95451
   21    20 S   HC   _HA2    21     1.09562   109.10075   -10.35216
   22    20 S   C    _C2_    22     1.53433   108.99576  -125.35434
   23    22 S   O    _O2_    23     1.23037   122.05841  -148.78982
   24    20 S   CT   _CB2    32     1.53565   112.01733   111.91924
   25    24 S   HC   HB21    33     1.09661   109.46828    66.47747
   26    24 S   HC   HB22    34     1.09581   110.69728  -176.43004
   27    22 S   N    _N3_    24     1.38461   113.50857    38.84147
   28    27 S   H    _HN3    25     1.01516   118.91424    -0.87133
   29    24 S   S    _SG2    35     1.82892   115.18296   -53.14697
   30    27 S   CT   _CA3    26     1.45442   123.45353   174.60192
   31    30 S   HC   HA31    27     1.09523   109.20822    24.91810
   32    30 S   HC   HA32    28     1.09492   107.13262   141.96088
   33    29 S   CT   _C20    36     1.82823   100.14855   -66.45395
   34    33 S   HC   _H25    37     1.09291   106.01036   -68.94678
   35    33 S   HC   _H26    38     1.09005   109.16087    48.00681
   36    30 S   CO3  _C3_    29     1.52944   113.13770   -98.50551
   37    36 S   O2Z  _O31    30     1.26403   115.44884   -42.74008
   38    36 S   O2Z  _O32    31     1.26358   114.94878   138.16747
   39    33 S   CT   _C19    39     1.53252   111.78145   170.08210
   40    39 S   HC   _H7_    40     1.09728   110.63091    50.42919
   41    39 S   CO4  _C18    41     1.51231   111.28104   -70.71771
   42    41 S   O    _O36    42     1.22190   125.78608    72.44801
   43    41 S   OS   _O35    43     1.36283   110.73112  -106.79949
   44    43 S   CT   _C8_    44     1.43584   111.36654    -2.21964
   45    44 S   HC   _H6_    45     1.09580   106.13185  -131.35952
   46    44 S   CT   _C9_    46     1.52517   109.40462   111.21106
   47    46 S   HC   _H11    47     1.10001   105.96881    44.79150
   48    46 S   HC   _H12    48     1.09564   111.38200   -68.03617
   49    39 S   CT   _C7_    55     1.54111   116.21365   174.22185
   50    49 S   HC   _H5_    56     1.10157   104.41989  -151.93069
   51    46 S   CM   _C10    49     1.52054   117.25698   165.48128
   52    51 S   CM   _C11    50     1.35928   126.55379    31.93581
   53    51 S   CT   _C17    79     1.51726   110.51748  -148.73780
   54    53 S   HC   _H22    80     1.09624   109.88485   -47.07723
   55    53 S   HC   _H23    81     1.09134   114.46035  -166.08792
   56    53 S   HC   _H24    82     1.09503   109.96415    72.07031
   57    52 S   CT   _C5_    51     1.53542   126.09313     5.54676
   58    57 S   HC   _H3_    52     1.10015   106.11954   140.91117
   59    52 S   CT   _C12    63     1.52895   121.47840  -177.03179
   60    59 S   HC   _H13    64     1.09642   109.87573   147.89334
   61    59 S   HC   _H14    65     1.09617   110.83206    33.48844
   62    57 S   CT   _C6_    53     1.54655   115.21230    25.85084
   63    62 S   HC   _H4_    54     1.09599   108.11739    45.36924
   64    57 S   CT   _C4_    59     1.53723   111.96808  -105.00135
   65    64 S   HC   _H8_    60     1.09346   112.28950    57.57508
   66    64 S   HC   _H9_    61     1.09493   111.29015   -62.37867
   67    64 S   HC   _H10    62     1.09518   111.00513   178.70291
   68    59 S   CT   _C13    66     1.53054   112.27311   -90.49881
   69    68 S   HC   _H15    67     1.09719   110.68701   -59.57538
   70    68 S   HC   _H16    68     1.09717   110.81118    57.10896
   71    62 S   OH   _O37    57     1.43204   109.40519   160.73892
   72    71 S   HO   _H27    58     0.97253   107.69947   -60.39644
   73    68 S   CT   _C14    69     1.52464   111.47300   178.85465
   74    73 S   HC   _H17    70     1.09607   110.30237    60.48829
   75    73 S   HC   _H18    71     1.09608   110.28793   -60.69369
   76    73 S   OS   _O33    72     1.43639   108.10226   179.90935
   77    76 S   CO4  _C15    73     1.36288   115.39826  -179.97202
   78    77 S   O    _O34    74     1.22337   126.24483     0.02798
   79    77 S   CT   _C16    75     1.49841   109.60844  -179.97202
   80    79 S   HC   _H19    76     1.09289   109.83654   -60.97933
   81    79 S   HC   _H20    77     1.09381   109.35725   179.97202
   82    79 S   HC   _H21    78     1.09290   109.83694    60.94214
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5   4
  10   4  13  20   5   2   1   1  13   8  11   5   4   7   3   4
   2   1   1   7   5   4   1   1   6   3   2   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    62    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    57    62    63    49    50    71  
   41    42    43    44    62    49    50  
   42    43    44    45    46    62    49    50  
   43    44    49  
   44    45    46    47    48    51    62    49    50  
   45    46    47    48    51    52    57    62    63    49    50    71    53  
   46    47    48    51    62    49    50  
   47    48    51    52    57    62    49    50    59    53    54    55    56  
   48    51    52    49    53  
   51    52    49    53  
   50    71    72    64    51    52    57    58    62    63  
   71    57    62    63  
   52    57    58    62    64    59    60    61    68    53    54    55    56  
   57    58    62    63    71    64    65    66    67    59    60    61    68    69    70    73    53    54    55    56  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    62    63    71    72    64    65    66    67    59    60    61    68  
   62    63    71    64    65    66    67    59  
   60    61    68    69    70    73    74    75    76    62    64  
   61    68    69    70    73  
   68    69    70    73  
   63    71    72    64    65    66    67  
   71    72    64  
   65    66    67    71  
   66    67  
   67  
    0  
   69    70    73    74    75    76    77  
   70    73    74    75    76  
   73    74    75    76  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77  
   77    78    79    80    81    82  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    53   317.000  1.510
   52    57   317.000  1.510
   52    59   317.000  1.510
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    64   268.000  1.529
   62    63   340.000  1.090
   62    49   268.000  1.529
   62    71   320.000  1.410
   49    50   340.000  1.090
   71    72   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   320.000  1.410
   76    77   214.000  1.327
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    62    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    62    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    53    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    57    70.00000  124.00000
   51    52    59    70.00000  124.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    62    70.00000  112.02700
   52    57    64    70.00000  112.02700
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    68    70.00000  112.02700
   57    62    63    37.50000  110.70000
   57    62    49    58.35000  112.70000
   57    62    71    50.00000  109.50000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    49    50    37.50000  110.70000
   62    71    72    55.00000  108.50000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    62    63    37.50000  110.70000
   71    62    63    35.00000  109.50000
   71    62    49    50.00000  109.50000
   64    57    58    37.50000  110.70000
   64    57    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   59    52    57    65.00000  117.92700
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    50.00000  109.50000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    76    77    83.00000  116.90000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    83.00000  123.40000
   76    77    79    81.00000  111.40000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    35.00000  109.50000
   79    77    78    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   53    51    52    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    62   0.56750  1.0 1.0
   33    39    49    62  -0.07550 -1.0 2.0
   33    39    49    62   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    62   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    62  -0.95700  1.0 1.0
   41    39    49    62  -0.18200 -1.0 2.0
   41    39    49    62   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    62   0.62750  1.0 1.0
   43    44    49    62  -0.30950 -1.0 2.0
   43    44    49    62   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    53   0.46850  1.0 1.0
   44    46    51    53   0.08550 -1.0 2.0
   44    46    51    53   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    62   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    62   0.56750  1.0 1.0
   46    44    49    62  -0.07550 -1.0 2.0
   46    44    49    62   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    57   7.00000 -1.0 2.0
   46    51    52    59   7.00000 -1.0 2.0
   46    51    53    54   0.34800  1.0 3.0
   46    51    53    55   0.34800  1.0 3.0
   46    51    53    56   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    53   0.34800  1.0 3.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    62   0.09850  1.0 1.0
   51    52    57    62   0.15250 -1.0 2.0
   51    52    57    62  -0.50650  1.0 3.0
   51    52    57    64   0.09850  1.0 1.0
   51    52    57    64   0.15250 -1.0 2.0
   51    52    57    64  -0.50650  1.0 3.0
   51    52    59    60   0.00000  1.0 1.0
   51    52    59    61   0.00000  1.0 1.0
   51    52    59    68   0.09850  1.0 1.0
   51    52    59    68   0.15250 -1.0 2.0
   51    52    59    68  -0.50650  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.00000  1.0 1.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    49   0.34400  1.0 1.0
   52    57    62    49   0.09450 -1.0 2.0
   52    57    62    49   0.11100  1.0 3.0
   52    57    62    71   1.05650  1.0 1.0
   52    57    62    71   0.15600 -1.0 2.0
   52    57    62    71   0.53150  1.0 3.0
   52    57    64    65   0.15000  1.0 3.0
   52    57    64    66   0.15000  1.0 3.0
   52    57    64    67   0.15000  1.0 3.0
   52    59    68    69   0.15000  1.0 3.0
   52    59    68    70   0.15000  1.0 3.0
   52    59    68    73   0.34400  1.0 1.0
   52    59    68    73   0.09450 -1.0 2.0
   52    59    68    73   0.11100  1.0 3.0
   57    52    59    60   0.34800  1.0 3.0
   57    52    59    61   0.34800  1.0 3.0
   57    52    59    68   0.46850  1.0 1.0
   57    52    59    68   0.08550 -1.0 2.0
   57    52    59    68   0.09800  1.0 3.0
   57    62    49    39   0.56750  1.0 1.0
   57    62    49    39  -0.07550 -1.0 2.0
   57    62    49    39   0.20000  1.0 3.0
   57    62    49    44   0.56750  1.0 1.0
   57    62    49    44  -0.07550 -1.0 2.0
   57    62    49    44   0.20000  1.0 3.0
   57    62    49    50   0.15000  1.0 3.0
   57    62    71    72  -0.11600  1.0 1.0
   57    62    71    72  -0.09450 -1.0 2.0
   57    62    71    72   0.21250  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    49   0.15000  1.0 3.0
   58    57    62    71   0.23400  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   62    57    64    65   0.15000  1.0 3.0
   62    57    64    66   0.15000  1.0 3.0
   62    57    64    67   0.15000  1.0 3.0
   63    62    49    39   0.15000  1.0 3.0
   63    62    49    44   0.15000  1.0 3.0
   63    62    49    50   0.15000  1.0 3.0
   63    62    71    72   0.19450  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   49    62    71    72  -0.11600  1.0 1.0
   49    62    71    72  -0.09450 -1.0 2.0
   49    62    71    72   0.21250  1.0 3.0
   71    62    49    39   0.86500  1.0 1.0
   71    62    49    39  -0.17500 -1.0 2.0
   71    62    49    39   0.20800  1.0 3.0
   71    62    49    44   0.86500  1.0 1.0
   71    62    49    44  -0.17500 -1.0 2.0
   71    62    49    44   0.20800  1.0 3.0
   71    62    49    50   0.23400  1.0 3.0
   64    57    62    63   0.15000  1.0 3.0
   64    57    62    49   0.56750  1.0 1.0
   64    57    62    49  -0.07550 -1.0 2.0
   64    57    62    49   0.20000  1.0 3.0
   64    57    62    71   0.86500  1.0 1.0
   64    57    62    71  -0.17500 -1.0 2.0
   64    57    62    71   0.20800  1.0 3.0
   59    52    57    58   0.34800  1.0 3.0
   59    52    57    62   0.46850  1.0 1.0
   59    52    57    62   0.08550 -1.0 2.0
   59    52    57    62   0.09800  1.0 3.0
   59    52    57    64   0.46850  1.0 1.0
   59    52    57    64   0.08550 -1.0 2.0
   59    52    57    64   0.09800  1.0 3.0
   59    68    73    74   0.15000  1.0 3.0
   59    68    73    75   0.15000  1.0 3.0
   59    68    73    76   0.62750  1.0 1.0
   59    68    73    76  -0.30950 -1.0 2.0
   59    68    73    76   0.27300  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    73   0.15000  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    70   0.15000  1.0 3.0
   61    59    68    73   0.15000  1.0 3.0
   68    73    76    77  -0.25900  1.0 1.0
   68    73    76    77  -0.47000 -1.0 2.0
   68    73    76    77   0.11750  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.23400  1.0 3.0
   73    76    77    78   3.00000 -1.0 2.0
   73    76    77    79   1.63150  1.0 1.0
   73    76    77    79   2.92000 -1.0 2.0
   74    73    76    77   0.08050  1.0 3.0
   75    73    76    77   0.08050  1.0 3.0
   76    77    79    80   0.00000  1.0 1.0
   76    77    79    81   0.00000  1.0 1.0
   76    77    79    82   0.00000  1.0 1.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.00000  1.0 1.0
   53    51    52    57   7.00000 -1.0 2.0
   53    51    52    59   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    53    51    52   1.10000 -1.0 2.0
   57    59    52    51   1.10000 -1.0 2.0
   76    79    77    78  10.50000 -1.0 2.0
END
