* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    135    202     392
    1     0 S   NP   _N1_     1    28.78124    95.65280   -22.63803
    2     1 S   H    _HN1     2     1.02944    78.49677    22.47159
    3     1 S   H    _H1_     3     1.02838    36.33045   164.33690
    4     1 S   H    _H2_     4     1.02792    96.89905   -84.83213
    5     1 S   CT   _CA1     5     1.50106   143.70863   131.58867
    6     5 S   HC   _HA1     6     1.09590   105.20440    79.65438
    7     5 S   CO3  _C1_     7     1.53790   112.03860   -40.33250
    8     7 S   O2Z  _O11     8     1.26337   115.12693   -54.46615
    9     7 S   O2Z  _O12     9     1.26228   114.85346   124.39335
   10     5 S   CT   _CB1    10     1.53072   107.35857  -162.79234
   11    10 S   HC   HB11    11     1.09832   109.30931   -51.72829
   12    10 S   HC   HB12    12     1.09808   110.55478    64.81768
   13    10 S   CT   _CG1    13     1.52969   112.54604  -172.74169
   14    13 S   HC   HG11    14     1.09542   110.48524   -64.29743
   15    13 S   HC   HG12    15     1.09658   109.93666    54.91637
   16    13 S   C    _CD1    16     1.51795   112.18974   175.32810
   17    16 S   O    _OE1    17     1.22738   123.26711     2.11757
   18    16 S   N    _N2_    18     1.38591   111.68384  -177.77041
   19    18 S   H    _HN2    19     1.01607   119.05536     1.18283
   20    18 S   CT1  _CA2    20     1.46304   123.41879   178.56632
   21    20 S   HC   _HA2    21     1.09730   109.38737     0.66441
   22    20 S   C    _C2_    22     1.53506   108.82372  -114.90803
   23    22 S   O    _O2_    23     1.23054   122.28984  -150.19317
   24    20 S   CT   _CB2    32     1.53316   111.16201   122.62091
   25    24 S   HC   HB21    33     1.09363   109.16098    56.92942
   26    24 S   HC   HB22    34     1.09504   110.59106   175.30389
   27    22 S   N    _N3_    24     1.38348   113.73046    37.44693
   28    27 S   H    _HN3    25     1.01590   119.52860    -3.69008
   29    24 S   S    _SG2    35     1.83449   110.84540   -65.57124
   30    27 S   CT   _CA3    26     1.45274   123.16536   177.01587
   31    30 S   HC   HA31    27     1.09551   107.55435   -63.48703
   32    30 S   HC   HA32    28     1.09559   107.92492    52.92863
   33    29 S   CT   _C15    36     1.90438   101.50261   151.26595
   34    30 S   CO3  _C3_    29     1.52942   114.12078   174.91361
   35    34 S   O2Z  _O31    30     1.26369   116.08053     0.09279
   36    34 S   O2Z  _O32    31     1.26432   114.40772  -179.87028
   37    33 S   CA   _C7_    37     1.53427   108.03270   -63.12781
   38    33 S   CM   _C14    48     1.51261   105.18259    58.55676
   39    38 S   HC   _H11    49     1.09130   116.13566    52.60026
   40    33 S   CT   _C16    65     1.58126   108.61421   177.05802
   41    40 S   HC   _H12    66     1.09885   108.56302    60.74770
   42    37 S   CA   _C6_    38     1.41269   120.23426   -56.46113
   43    42 S   HA   _H6_    39     1.08891   119.49316    -0.91043
   44    40 S   CT   _C17    67     1.54077   112.65241   178.10215
   45    44 S   HC   _H13    68     1.09465   111.65118    63.68445
   46    44 S   HC   _H14    69     1.09386   111.81179   -57.98370
   47    44 S   HC   _H15    70     1.09594   110.45392  -176.79307
   48    40 S   CT   _C18    71     1.54115   115.24595   -57.92710
   49    48 S   HC   _H16    72     1.09449   111.93148   -64.13990
   50    48 S   HC   _H17    73     1.09635   110.14344   176.80610
   51    48 S   HC   _H18    74     1.09298   112.34907    58.14472
   52    42 S   CA   _C5_    40     1.40165   122.19732   178.47235
   53    52 S   CA   _C10    41     1.39946   119.16016     0.28871
   54    52 S   CT   _C4_    61     1.50336   119.71504  -179.47810
   55    54 S   HC   _H3_    62     1.09458   110.07910   119.49069
   56    54 S   HC   _H4_    63     1.09473   110.26570  -119.68940
   57    54 S   HC   _H5_    64     1.09502   111.67915    -0.08623
   58    53 S   CA   _C9_    42     1.39840   119.14245     0.60003
   59    58 S   HA   _H7_    43     1.08702   120.11965   179.44468
   60    53 S   OS   _O33    56     1.37157   115.96266  -179.71607
   61    37 S   CA   _C8_    44     1.40523   121.20912   123.44374
   62    60 S   CT   _C11    57     1.42216   117.36717   178.92644
   63    62 S   HC   _H8_    58     1.09429   107.72750  -179.15837
   64    62 S   HC   _H9_    59     1.09494   111.11880    63.17021
   65    62 S   HC   _H10    60     1.09499   111.18011   -61.44689
   66    61 S   CT   _C12    45     1.53156   122.13181     3.01578
   67    66 S   CMA  _C13    46     1.54774   115.21845   -12.54404
   68    67 S   OM   _O34    47     1.26580   112.81564  -167.89199
   69    66 S   CT   _C19    50     1.54773   108.46845   112.02670
   70    69 S   HC   _H19    51     1.09643   111.72493   174.84148
   71    69 S   HC   _H20    52     1.09632   111.74442    57.33170
   72    69 S   HC   _H21    53     1.09527   111.73089   -63.68836
   73    66 S   OH   _O35    54     1.44193   106.01599  -132.93312
   74    73 S   HO   _H22    55     0.97425   106.17927   159.62424
  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  11   5   4   3
  21   2   1   1  18  12   4  12   8  11   4   7   3   2   1   3
   2   1   1  10  13   5   2   1   1   8   3   5   9   3   2   1
   1   8   7   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    61    67    38    39    40    41    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    52    58    61    66    67    68    38    39    40    41    44    45    46    47    48    49    50    51  
   35    36  
   36  
    0  
   42    43    52    53    58    59    61    66    67    38    39    69    73    54    40    41    44    48  
   39    69    73    40    41    44    48    42    61    66    67    68  
   40    66    67    68  
   41    44    45    46    47    48    49    50    51    42    61    67  
   44    45    46    47    48    49    50    51  
   43    52    53    58    61    66    60    54    55    56    57  
   52    53    61    54  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   53    58    59    61    60    62    54    55    56    57  
   58    59    61    66    60    62    63    64    65    54    55    56    57  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    61    66    67    69    73    60    62  
   61    66    60  
   62    63    64    65    61  
   66    67    68    69    70    71    72    73    74  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    73  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    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    38   317.000  1.510
   33    40   268.000  1.529
   37    42   469.000  1.400
   37    61   469.000  1.400
   42    43   367.000  1.080
   42    52   469.000  1.400
   52    53   469.000  1.400
   52    54   317.000  1.510
   53    58   469.000  1.400
   53    60   450.000  1.364
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    66   317.000  1.510
   66    67   270.000  1.512
   66    69   268.000  1.529
   66    73   320.000  1.410
   67    68   745.000  1.250
   67    38   465.000  1.376
   38    39   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   60    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    42    70.00000  120.00000
   33    37    61    70.00000  120.00000
   33    38    67    70.00000  124.00000
   33    38    39    35.00000  117.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    48    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    52    63.00000  120.00000
   37    61    58    63.00000  120.00000
   37    61    66    70.00000  120.00000
   42    52    53    63.00000  120.00000
   42    52    54    70.00000  120.00000
   52    42    43    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    53    60    70.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    61    63.00000  120.00000
   53    60    62    75.00000  111.00000
   58    61    66    70.00000  120.00000
   61    37    42    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    66    67    70.00000  112.99600
   61    66    69    70.00000  112.17500
   61    66    73    90.00000  112.51600
   66    67    68    85.00000  112.85300
   66    67    38    65.00000  122.18000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    55.00000  108.50000
   67    38    39    40.00000  120.50800
   38    33    37    70.00000  112.99600
   38    67    68    65.00000  137.10300
   69    66    67    70.00000  112.02700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    67    90.00000  110.39200
   73    66    69    50.00000  109.50000
   60    53    58    70.00000  120.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    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
   54    52    53    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    37    70.00000  112.17500
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    51    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    61  -0.16000  1.0 1.0
   29    33    37    61  -0.03200 -1.0 2.0
   29    33    37    61   0.04500  1.0 3.0
   29    33    38    67   0.42700  1.0 1.0
   29    33    38    67  -0.70350 -1.0 2.0
   29    33    38    67  -0.43150  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    48   0.44750  1.0 1.0
   29    33    40    48  -0.17800 -1.0 2.0
   29    33    40    48   0.20200  1.0 3.0
   33    37    42    43   3.62500 -1.0 2.0
   33    37    42    52   3.62500 -1.0 2.0
   33    37    61    58   3.62500 -1.0 2.0
   33    37    61    66   3.62500 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   33    40    48    49   0.15000  1.0 3.0
   33    40    48    50   0.15000  1.0 3.0
   33    40    48    51   0.15000  1.0 3.0
   37    33    38    67   1.44450  1.0 1.0
   37    33    38    67   0.06600 -1.0 2.0
   37    33    38    67   0.29250  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    44  -0.03700  1.0 1.0
   37    33    40    44   0.37200 -1.0 2.0
   37    33    40    44  -0.47300  1.0 3.0
   37    33    40    48  -0.03700  1.0 1.0
   37    33    40    48   0.37200 -1.0 2.0
   37    33    40    48  -0.47300  1.0 3.0
   37    42    52    53   3.62500 -1.0 2.0
   37    42    52    54   3.62500 -1.0 2.0
   37    61   -66    67   0.18050 -1.0 2.0
   37    61    66    69   0.04150 -1.0 2.0
   37    61    66    73   0.14300 -1.0 2.0
   37    61    66    73   0.00300  1.0 3.0
   42    37    61    58   3.62500 -1.0 2.0
   42    37    61    66   3.62500 -1.0 2.0
   42    52   -53    58   3.62500 -1.0 2.0
   42    52    53    60   3.62500 -1.0 2.0
   42    52    54    55   0.00000  1.0 1.0
   42    52    54    56   0.00000  1.0 1.0
   42    52    54    57   0.00000  1.0 1.0
   43    42    52    53   3.62500 -1.0 2.0
   43    42    52    54   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53    58    61   3.62500 -1.0 2.0
   52    53    60    62   1.63200 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    58   -61    37   3.62500 -1.0 2.0
   53    58    61    66   3.62500 -1.0 2.0
   53    60    62    63   0.08050  1.0 3.0
   53    60    62    64   0.08050  1.0 3.0
   53    60    62    65   0.08050  1.0 3.0
   58    53    60    62   1.63200 -1.0 2.0
   58    61    66    67   0.18050 -1.0 2.0
   58    61    66    69   0.04150 -1.0 2.0
   58    61    66    73   0.14300 -1.0 2.0
   58    61    66    73   0.00300  1.0 3.0
   59    58    61    37   3.62500 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   61    37    42    43   3.62500 -1.0 2.0
   61    37   -42    52   3.62500 -1.0 2.0
   61    66    67    68   0.09700  1.0 1.0
   61    66    67    68   0.15600 -1.0 2.0
   61    66    67    68  -0.50800  1.0 3.0
   61    66    67    38   1.44450  1.0 1.0
   61    66    67    38   0.06600 -1.0 2.0
   61    66    67    38   0.29250  1.0 3.0
   61    66    69    70   0.43200  1.0 3.0
   61    66    69    71   0.43200  1.0 3.0
   61    66    69    72   0.43200  1.0 3.0
   61    66    73    74   0.31900  1.0 1.0
   61    66    73    74  -0.11800 -1.0 2.0
   61    66    73    74   0.38750  1.0 3.0
   66    67   -38    33   7.00000 -1.0 2.0
   66    67    38    39   7.00000 -1.0 2.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    73    74  -0.07800  1.0 1.0
   67    66    73    74  -0.21500 -1.0 2.0
   67    66    73    74  -0.03150  1.0 3.0
   68    67    38    33   7.00000 -1.0 2.0
   68    67    38    39   7.00000 -1.0 2.0
   38    33    37    42   0.18050 -1.0 2.0
   38    33   -37    61   0.18050 -1.0 2.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    48   0.34400  1.0 1.0
   38    33    40    48   0.09450 -1.0 2.0
   38    33    40    48   0.11100  1.0 3.0
   69    66    67    68   0.09700  1.0 1.0
   69    66    67    68   0.15600 -1.0 2.0
   69    66    67    68  -0.50800  1.0 3.0
   69    66    67    38   0.09850  1.0 1.0
   69    66    67    38   0.15250 -1.0 2.0
   69    66    67    38  -0.50650  1.0 3.0
   69    66    73    74  -0.11600  1.0 1.0
   69    66    73    74  -0.09450 -1.0 2.0
   69    66    73    74   0.21250  1.0 3.0
   73    66    67    68   0.09700  1.0 1.0
   73    66    67    68   0.15600 -1.0 2.0
   73    66    67    68  -0.50800  1.0 3.0
   73    66    67    38   0.67800  1.0 1.0
   73    66    67    38   0.47050 -1.0 2.0
   73    66    67    38  -0.62500  1.0 3.0
   73    66    69    70   0.23400  1.0 3.0
   73    66    69    71   0.23400  1.0 3.0
   73    66    69    72   0.23400  1.0 3.0
   60    53    58    59   3.62500 -1.0 2.0
   60    53    58    61   3.62500 -1.0 2.0
   54    52    53    58   3.62500 -1.0 2.0
   54    52    53    60   3.62500 -1.0 2.0
   40    33    37    42   0.04150 -1.0 2.0
   40    33    37    61   0.04150 -1.0 2.0
   40    33    38    67   0.09850  1.0 1.0
   40    33    38    67   0.15250 -1.0 2.0
   40    33    38    67  -0.50650  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    51   0.15000  1.0 3.0
   44    40    48    49   0.15000  1.0 3.0
   44    40    48    50   0.15000  1.0 3.0
   44    40    48    51   0.15000  1.0 3.0
   48    40    44    45   0.15000  1.0 3.0
   48    40    44    46   0.15000  1.0 3.0
   48    40    44    47   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
   42    61    37    33   4.00000 -1.0 2.0
   52    43    42    37   1.10000 -1.0 2.0
   53    54    52    42   4.00000 -1.0 2.0
   58    60    53    52   4.00000 -1.0 2.0
   61    59    58    53   1.10000 -1.0 2.0
   58    66    61    37   4.00000 -1.0 2.0
   66    68    67    38   1.10000 -1.0 2.0
   33    39    38    67   1.10000 -1.0 2.0
END
