* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    251     454
    1     0 S   NP   _N1_     1    28.68138    97.24253   -23.69626
    2     1 S   H    _HN1     2     1.02784   106.63644   -86.77195
    3     1 S   H    _H1_     3     1.02950    66.25215    16.41024
    4     1 S   H    _H2_     4     1.02825    43.56647   174.50874
    5     1 S   CT   _CA1     5     1.50123   139.42056   110.48314
    6     5 S   HC   _HA1     6     1.09574   105.17784   100.71321
    7     5 S   CO3  _C1_     7     1.53785   112.50089   -19.47404
    8     7 S   O2Z  _O11     8     1.26372   115.00220   -41.25081
    9     7 S   O2Z  _O12     9     1.26244   114.95101   137.85442
   10     5 S   CT   _CB1    10     1.53075   107.40427  -141.31564
   11    10 S   HC   HB11    11     1.09833   109.32886   -49.71400
   12    10 S   HC   HB12    12     1.09813   110.45262    66.88407
   13    10 S   CT   _CG1    13     1.52988   112.63656  -170.70690
   14    13 S   HC   HG11    14     1.09581   110.62425   -66.42730
   15    13 S   HC   HG12    15     1.09673   109.78553    52.81034
   16    13 S   C    _CD1    16     1.51803   112.22949   173.22755
   17    16 S   O    _OE1    17     1.22727   123.28606     7.05569
   18    16 S   N    _N2_    18     1.38658   111.66208  -172.93364
   19    18 S   H    _HN2    19     1.01574   118.91174     1.65185
   20    18 S   CT1  _CA2    20     1.46201   123.40440   177.25519
   21    20 S   HC   _HA2    21     1.09740   109.38743     3.43616
   22    20 S   C    _C2_    22     1.53566   108.53938  -112.04203
   23    22 S   O    _O2_    23     1.23061   122.30530  -147.20258
   24    20 S   CT   _CB2    32     1.53340   111.60599   125.49737
   25    24 S   HC   HB21    33     1.09583   110.12064    55.90419
   26    24 S   HC   HB22    34     1.09402   109.90396   174.89151
   27    22 S   N    _N3_    24     1.38335   113.70351    40.18901
   28    27 S   H    _HN3    25     1.01579   119.59895    -3.17330
   29    24 S   S    _SG2    35     1.82762   111.40556   -64.95478
   30    27 S   CT   _CA3    26     1.45282   123.20944   177.16586
   31    30 S   HC   HA31    27     1.09549   107.49539   -64.86544
   32    30 S   HC   HA32    28     1.09557   108.00084    51.57165
   33    29 S   CT   _C12    36     1.82739    99.96503   175.53498
   34    33 S   HC   _H7_    37     1.09776   103.63663   -49.49023
   35    30 S   CO3  _C3_    29     1.52959   114.08984   173.57178
   36    35 S   O2Z  _O31    30     1.26375   116.08430    -1.00658
   37    35 S   O2Z  _O32    31     1.26431   114.40677   179.06247
   38    33 S   CT   _C11    38     1.53544   115.35289    66.82957
   39    38 S   HC   _H11    39     1.09968   107.64024  -131.74988
   40    38 S   HC   _H12    40     1.09449   114.19552   -15.63025
   41    38 S   CT   _C10    41     1.54327   108.73159   110.26690
   42    41 S   CT   _C9_    42     1.55228   113.49768  -105.06559
   43    42 S   HC   _H6_    43     1.09541   112.34514   -71.09511
   44    41 S   CT   _C5_    64     1.56597   104.48320    23.37822
   45    41 S   OH   _O36    75     1.43661   105.98932   139.83431
   46    45 S   HO   _H14    76     0.97271   108.33202    58.77197
   47    42 S   CO4  _C15    44     1.50619   110.88316    51.62736
   48    47 S   O    _O37    45     1.21899   126.62043   -97.54721
   49    33 S   CT   _C13    65     1.53393   115.79890  -168.41478
   50    44 S   CT   _C4_    71     1.55055   112.88731   101.86787
   51    50 S   HC   _H8_    72     1.09641   111.16552   -58.87379
   52    50 S   HC   _H9_    73     1.09663   111.30057  -179.22192
   53    50 S   HC   _H10    74     1.09064   112.93120    61.30508
   54    47 S   OS   _O38    46     1.37044   107.68512    83.48341
   55    49 S   CO4  _C14    66     1.51003   122.21358    -0.05935
   56    55 S   O    _O33    67     1.22272   125.79175    56.81534
   57    49 S   OH   _O35    69     1.43733   107.59044   115.79263
   58    57 S   HO   _H13    70     0.97414   107.87290   -62.40986
   59    54 S   CT   _C7_    47     1.44949   108.00045     8.16753
   60    59 S   HC   _H4_    48     1.09473   106.83308   143.91314
   61    64 S   OS   _O34    68     1.43622   106.81677   -52.73994
   62    42 S   CT   _C8_    49     1.53515   116.22739   160.60458
   63    62 S   HC   _H5_    50     1.10512   106.03192  -176.37210
   64    59 S   CT   _C6_    62     1.53718   109.50792   -95.82951
   65    64 S   HC   _H3_    63     1.09597   108.12228  -167.21142
   66    62 S   CT   _C16    51     1.54144   121.56153    64.73975
   67    66 S   CT   _C17    52     1.53592   110.06163   177.13044
   68    67 S   HC   _H15    53     1.09642   110.89857  -178.30962
   69    67 S   HC   _H16    54     1.09556   111.11211    64.06793
   70    67 S   HC   _H17    55     1.09489   111.75558   -57.50092
   71    66 S   CT   _C18    56     1.53416   110.58684    56.34526
   72    71 S   HC   _H18    57     1.09635   110.91723   177.46240
   73    71 S   HC   _H19    58     1.09468   111.34528   -64.80478
   74    71 S   HC   _H20    59     1.09492   111.63443    56.72850
   75    66 S   OH   _O39    60     1.41509   111.99542   -64.20478
   76    75 S   HO   _H21    61     0.97251   108.65594   176.90193
  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  10   5   4   3
  16   8   2   1   1  15   6   5  22  18   9  19   6   1   8   3
  12   9   3   2   1   8   7   3   3   1  10   6   3  14   5   2
   1  10   9   4   3   2   5   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    64    44    49    55    56    61    57    58    50    45  
   38    39    40    41    44    49    55    57  
   36    37  
   37  
    0  
   39    40    41    42    43    47    62    64    44    49    55    57    50    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    54    59    62    63    66    64    65    44    49    55    61    57    50    51    52    53    45    46  
   43    47    48    54    59    60    62    63    66    67    71    75    64    44    49    50    45    46  
   47    48    54    59    62    63    66    44    45  
   49    55    56    61    57    58    50    51    52    53    45    46    47    54    59    60    62    64    65  
   46    47    49    50    62    64  
    0  
   48    54    59    60    62    63    66    64  
   54    59    62  
   55    56    61    57    58    50    51    52    53    59    64    65  
   51    52    53    55    57    59    61    64    65  
   52    53    64  
   53    64  
   64  
   59    60    62    63    66    64    65    61  
   56    61    57    58    59    64    65  
   61    57    64  
   58    61    64  
    0  
   60    62    63    66    67    71    75    64    65    61  
   62    63    66    64    65    61  
   62    64    65  
   63    66    67    68    69    70    71    72    73    74    75    76    64    65  
   66    67    71    75    64  
   65    66  
    0  
   67    68    69    70    71    72    73    74    75    76  
   68    69    70    71    72    73    74    75    76  
   69    70    71    75  
   70    71    75  
   71    75  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    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   3.5000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    62   268.000  1.529
   47    48   570.000  1.229
   47    54   214.000  1.327
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   66    67   268.000  1.529
   66    71   268.000  1.529
   66    75   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   64    65   340.000  1.090
   64    44   268.000  1.529
   64    61   320.000  1.410
   44    49   268.000  1.529
   44    50   268.000  1.529
   49    55   317.000  1.522
   49    57   320.000  1.410
   55    56   570.000  1.229
   55    61   214.000  1.327
   57    58   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    55    63.00000  111.10000
   33    49    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    62    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    54    81.00000  111.40000
   42    62    59    58.35000  112.70000
   42    62    63    37.50000  110.70000
   42    62    66    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    54    59    83.00000  116.90000
   54    47    48    83.00000  123.40000
   54    59    60    35.00000  109.50000
   54    59    62    50.00000  109.50000
   54    59    64    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    66    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    44    58.35000  112.70000
   59    64    61    50.00000  109.50000
   62    42    43    37.50000  110.70000
   62    42    47    63.00000  111.10000
   62    59    60    37.50000  110.70000
   62    66    67    58.35000  112.70000
   62    66    71    58.35000  112.70000
   62    66    75    50.00000  109.50000
   66    62    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   66    75    76    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    67    50.00000  109.50000
   75    66    71    50.00000  109.50000
   64    59    60    37.50000  110.70000
   64    59    62    58.35000  112.70000
   64    44    49    58.35000  112.70000
   64    44    50    58.35000  112.70000
   64    61    55    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    49    55    63.00000  111.10000
   44    49    57    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    55    56    80.00000  120.40000
   49    55    61    81.00000  111.40000
   49    57    58    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    44    50.00000  109.50000
   61    55    56    83.00000  123.40000
   57    49    55    90.00000  109.61100
   50    44    49    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    41    42    50.00000  109.50000
   45    41    44    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    55    56   0.30150 -1.0 2.0
   33    49    55    61   0.36750  1.0 3.0
   33    49    57    58  -0.11600  1.0 1.0
   33    49    57    58  -0.09450 -1.0 2.0
   33    49    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    55  -0.11250  1.0 3.0
   34    33    49    57   0.23400  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    55  -0.95700  1.0 1.0
   38    33    49    55  -0.18200 -1.0 2.0
   38    33    49    55   0.29450  1.0 3.0
   38    33    49    57   0.86500  1.0 1.0
   38    33    49    57  -0.17500 -1.0 2.0
   38    33    49    57   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    62   0.56750  1.0 1.0
   38    41    42    62  -0.07550 -1.0 2.0
   38    41    42    62   0.20000  1.0 3.0
   38    41    44    64   0.56750  1.0 1.0
   38    41    44    64  -0.07550 -1.0 2.0
   38    41    44    64   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    50   0.56750  1.0 1.0
   38    41    44    50  -0.07550 -1.0 2.0
   38    41    44    50   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    54   0.36750  1.0 3.0
   41    42    62    59   0.56750  1.0 1.0
   41    42    62    59  -0.07550 -1.0 2.0
   41    42    62    59   0.20000  1.0 3.0
   41    42    62    63   0.15000  1.0 3.0
   41    42    62    66   0.56750  1.0 1.0
   41    42    62    66  -0.07550 -1.0 2.0
   41    42    62    66   0.20000  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    55  -0.95700  1.0 1.0
   41    44    49    55  -0.18200 -1.0 2.0
   41    44    49    55   0.29450  1.0 3.0
   41    44    49    57   0.86500  1.0 1.0
   41    44    49    57  -0.17500 -1.0 2.0
   41    44    49    57   0.20800  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    53   0.15000  1.0 3.0
   42    41    44    64   0.56750  1.0 1.0
   42    41    44    64  -0.07550 -1.0 2.0
   42    41    44    64   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    50   0.56750  1.0 1.0
   42    41    44    50  -0.07550 -1.0 2.0
   42    41    44    50   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -54    59   1.63150  1.0 1.0
   42    47   -54    59   2.92000 -1.0 2.0
   42    62    66    67   0.56750  1.0 1.0
   42    62    66    67  -0.07550 -1.0 2.0
   42    62    66    67   0.20000  1.0 3.0
   42    62    66    71   0.56750  1.0 1.0
   42    62    66    71  -0.07550 -1.0 2.0
   42    62    66    71   0.20000  1.0 3.0
   42    62    66    75   0.86500  1.0 1.0
   42    62    66    75  -0.17500 -1.0 2.0
   42    62    66    75   0.20800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    62    59   0.15000  1.0 3.0
   43    42    62    63   0.15000  1.0 3.0
   43    42    62    66   0.15000  1.0 3.0
   47    42   -62    59  -0.95700  1.0 1.0
   47    42   -62    59  -0.18200 -1.0 2.0
   47    42   -62    59   0.29450  1.0 3.0
   47    42    62    63  -0.11250  1.0 3.0
   47    42    62    66  -0.95700  1.0 1.0
   47    42    62    66  -0.18200 -1.0 2.0
   47    42    62    66   0.29450  1.0 3.0
   47    54    59    60   0.08050  1.0 3.0
   47    54   -59    62  -0.25900  1.0 1.0
   47    54   -59    62  -0.47000 -1.0 2.0
   47    54   -59    62   0.11750  1.0 3.0
   47    54    59    64  -0.25900  1.0 1.0
   47    54    59    64  -0.47000 -1.0 2.0
   47    54    59    64   0.11750  1.0 3.0
   48    47    54    59   3.00000 -1.0 2.0
   54    59   -62    42   0.62750  1.0 1.0
   54    59   -62    42  -0.30950 -1.0 2.0
   54    59   -62    42   0.27300  1.0 3.0
   54    59    62    63   0.23400  1.0 3.0
   54    59    62    66   0.62750  1.0 1.0
   54    59    62    66  -0.30950 -1.0 2.0
   54    59    62    66   0.27300  1.0 3.0
   54    59    64    65   0.23400  1.0 3.0
   54    59    64    44   0.62750  1.0 1.0
   54    59    64    44  -0.30950 -1.0 2.0
   54    59    64    44   0.27300  1.0 3.0
   54    59    64    61   1.11900  1.0 1.0
   54    59    64    61  -1.16350 -1.0 2.0
   54    59    64    61  -0.34150  1.0 3.0
   59    62    66    67   0.56750  1.0 1.0
   59    62    66    67  -0.07550 -1.0 2.0
   59    62    66    67   0.20000  1.0 3.0
   59    62    66    71   0.56750  1.0 1.0
   59    62    66    71  -0.07550 -1.0 2.0
   59    62    66    71   0.20000  1.0 3.0
   59    62    66    75   0.86500  1.0 1.0
   59    62    66    75  -0.17500 -1.0 2.0
   59    62    66    75   0.20800  1.0 3.0
   59    64   -44    41   0.56750  1.0 1.0
   59    64   -44    41  -0.07550 -1.0 2.0
   59    64   -44    41   0.20000  1.0 3.0
   59    64    44    49   0.56750  1.0 1.0
   59    64    44    49  -0.07550 -1.0 2.0
   59    64    44    49   0.20000  1.0 3.0
   59    64    44    50   0.56750  1.0 1.0
   59    64    44    50  -0.07550 -1.0 2.0
   59    64    44    50   0.20000  1.0 3.0
   59    64    61    55  -0.25900  1.0 1.0
   59    64    61    55  -0.47000 -1.0 2.0
   59    64    61    55   0.11750  1.0 3.0
   60    59    62    42   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    44   0.15000  1.0 3.0
   60    59    64    61   0.23400  1.0 3.0
   62    42    47    48   0.30150 -1.0 2.0
   62    42   -47    54   0.36750  1.0 3.0
   62    59    64    65   0.15000  1.0 3.0
   62    59    64    44   0.56750  1.0 1.0
   62    59    64    44  -0.07550 -1.0 2.0
   62    59    64    44   0.20000  1.0 3.0
   62    59    64    61   0.62750  1.0 1.0
   62    59    64    61  -0.30950 -1.0 2.0
   62    59    64    61   0.27300  1.0 3.0
   62    66    67    68   0.15000  1.0 3.0
   62    66    67    69   0.15000  1.0 3.0
   62    66    67    70   0.15000  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   62    66    75    76  -0.11600  1.0 1.0
   62    66    75    76  -0.09450 -1.0 2.0
   62    66    75    76   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    66    75   0.23400  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   67    66    75    76  -0.11600  1.0 1.0
   67    66    75    76  -0.09450 -1.0 2.0
   67    66    75    76   0.21250  1.0 3.0
   71    66    67    68   0.15000  1.0 3.0
   71    66    67    69   0.15000  1.0 3.0
   71    66    67    70   0.15000  1.0 3.0
   71    66    75    76  -0.11600  1.0 1.0
   71    66    75    76  -0.09450 -1.0 2.0
   71    66    75    76   0.21250  1.0 3.0
   75    66    67    68   0.23400  1.0 3.0
   75    66    67    69   0.23400  1.0 3.0
   75    66    67    70   0.23400  1.0 3.0
   75    66    71    72   0.23400  1.0 3.0
   75    66    71    73   0.23400  1.0 3.0
   75    66    71    74   0.23400  1.0 3.0
   64    59   -62    42   0.56750  1.0 1.0
   64    59   -62    42  -0.07550 -1.0 2.0
   64    59   -62    42   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    66   0.56750  1.0 1.0
   64    59    62    66  -0.07550 -1.0 2.0
   64    59    62    66   0.20000  1.0 3.0
   64    44    49    33   0.56750  1.0 1.0
   64    44    49    33  -0.07550 -1.0 2.0
   64    44    49    33   0.20000  1.0 3.0
   64    44   -49    55  -0.95700  1.0 1.0
   64    44   -49    55  -0.18200 -1.0 2.0
   64    44   -49    55   0.29450  1.0 3.0
   64    44    49    57   0.86500  1.0 1.0
   64    44    49    57  -0.17500 -1.0 2.0
   64    44    49    57   0.20800  1.0 3.0
   64    44    50    51   0.15000  1.0 3.0
   64    44    50    52   0.15000  1.0 3.0
   64    44    50    53   0.15000  1.0 3.0
   65    64    44    41   0.15000  1.0 3.0
   65    64    44    49   0.15000  1.0 3.0
   65    64    44    50   0.15000  1.0 3.0
   65    64    61    55   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    62   0.56750  1.0 1.0
   44    41   -42    62  -0.07550 -1.0 2.0
   44    41   -42    62   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    64   -61    55  -0.25900  1.0 1.0
   44    64   -61    55  -0.47000 -1.0 2.0
   44    64   -61    55   0.11750  1.0 3.0
   44    49    55    56   0.30150 -1.0 2.0
   44    49   -55    61   0.36750  1.0 3.0
   44    49    57    58  -0.11600  1.0 1.0
   44    49    57    58  -0.09450 -1.0 2.0
   44    49    57    58   0.21250  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    50    51   0.15000  1.0 3.0
   49    44    50    52   0.15000  1.0 3.0
   49    44    50    53   0.15000  1.0 3.0
   49    55   -61    64   1.63150  1.0 1.0
   49    55   -61    64   2.92000 -1.0 2.0
   55    49    57    58   0.91850  1.0 1.0
   55    49    57    58   0.57950  1.0 3.0
   56    55    61    64   3.00000 -1.0 2.0
   61    64    44    41   0.62750  1.0 1.0
   61    64    44    41  -0.30950 -1.0 2.0
   61    64    44    41   0.27300  1.0 3.0
   61    64   -44    49   0.62750  1.0 1.0
   61    64   -44    49  -0.30950 -1.0 2.0
   61    64   -44    49   0.27300  1.0 3.0
   61    64    44    50   0.62750  1.0 1.0
   61    64    44    50  -0.30950 -1.0 2.0
   61    64    44    50   0.27300  1.0 3.0
   57    49    55    56   0.30150 -1.0 2.0
   57    49    55    61   0.30750  1.0 1.0
   57    49    55    61   1.13850 -1.0 2.0
   57    49    55    61   0.38850  1.0 3.0
   50    44    49    33   0.56750  1.0 1.0
   50    44    49    33  -0.07550 -1.0 2.0
   50    44    49    33   0.20000  1.0 3.0
   50    44    49    55  -0.95700  1.0 1.0
   50    44    49    55  -0.18200 -1.0 2.0
   50    44    49    55   0.29450  1.0 3.0
   50    44    49    57   0.86500  1.0 1.0
   50    44    49    57  -0.17500 -1.0 2.0
   50    44    49    57   0.20800  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    62   0.86500  1.0 1.0
   45    41    42    62  -0.17500 -1.0 2.0
   45    41    42    62   0.20800  1.0 3.0
   45    41    44    64   0.86500  1.0 1.0
   45    41    44    64  -0.17500 -1.0 2.0
   45    41    44    64   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    50   0.86500  1.0 1.0
   45    41    44    50  -0.17500 -1.0 2.0
   45    41    44    50   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
   42    54    47    48  10.50000 -1.0 2.0
   49    61    55    56  10.50000 -1.0 2.0
END
