* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    218     428
    1     0 S   NP   _N1_     1    29.01018    93.67407   -23.00182
    2     1 S   H    _HN1     2     1.02788   100.90409   -91.85782
    3     1 S   H    _H1_     3     1.02908    87.68053    16.35557
    4     1 S   H    _H2_     4     1.02836    24.65645   158.99557
    5     1 S   CT   _CA1     5     1.50056   133.48822   132.76614
    6     5 S   HC   _HA1     6     1.09579   105.20098    70.93321
    7     5 S   CO3  _C1_     7     1.53765   112.42276   -49.28546
    8     7 S   O2Z  _O11     8     1.26333   115.02070   -46.79951
    9     7 S   O2Z  _O12     9     1.26229   114.92231   132.37451
   10     5 S   CT   _CB1    10     1.53091   107.47847  -171.19067
   11    10 S   HC   HB11    11     1.09821   109.36333   -50.74952
   12    10 S   HC   HB12    12     1.09828   110.55984    65.91896
   13    10 S   CT   _CG1    13     1.52958   112.38708  -171.74445
   14    13 S   HC   HG11    14     1.09603   110.46530   -64.77963
   15    13 S   HC   HG12    15     1.09668   109.90908    54.39390
   16    13 S   C    _CD1    16     1.51731   112.40923   174.76434
   17    16 S   O    _OE1    17     1.22720   123.34648     0.86366
   18    16 S   N    _N2_    18     1.38633   111.53672  -179.05498
   19    18 S   H    _HN2    19     1.01583   118.99237     1.84441
   20    18 S   CT1  _CA2    20     1.46077   123.42021   179.19838
   21    20 S   HC   _HA2    21     1.09582   109.29374    -0.48497
   22    20 S   C    _C2_    22     1.53486   108.81002  -115.65885
   23    22 S   O    _O2_    23     1.23053   122.26344  -148.97212
   24    20 S   CT   _CB2    32     1.53293   111.53922   121.84927
   25    24 S   HC   HB21    33     1.09651   109.69556    61.43944
   26    24 S   HC   HB22    34     1.09564   111.02057   178.93137
   27    22 S   N    _N3_    24     1.38330   113.67007    38.58493
   28    27 S   H    _HN3    25     1.01604   119.53782    -3.58326
   29    24 S   S    _SG2    35     1.82783   114.19995   -58.29448
   30    27 S   CT   _CA3    26     1.45285   123.18501   176.97651
   31    30 S   HC   HA31    27     1.09550   107.54540   -63.66594
   32    30 S   HC   HA32    28     1.09557   107.94016    52.75986
   33    29 S   CT   _C20    36     1.81990    99.67452   -68.06797
   34    33 S   HC   _H23    37     1.09516   108.66719   -52.28636
   35    33 S   HC   _H24    38     1.09414   110.19662    64.70161
   36    30 S   CO3  _C3_    29     1.52948   114.09240   174.74234
   37    36 S   O2Z  _O31    30     1.26372   116.05090    -0.22468
   38    36 S   O2Z  _O32    31     1.26425   114.41539   179.82196
   39    33 S   CM   _C18    39     1.50111   110.62730  -174.11603
   40    39 S   CMA  _C19    40     1.35017   126.85207    93.63387
   41    40 S   OM   _O37    41     1.26327   127.87842    -3.88756
   42    40 S   OS   _O36    42     1.41697   110.00576   174.43317
   43    42 S   CT   _C7_    43     1.44061   107.67865    10.54266
   44    43 S   HC   _H4_    44     1.09715   106.71214  -135.98849
   45    43 S   CT   _C6_    45     1.53248   108.08083   106.49819
   46    45 S   HC   _H10    46     1.09966   108.55785    39.58732
   47    45 S   HC   _H11    47     1.09798   110.15843   -73.59760
   48    39 S   CT   _C8_    56     1.49824   121.30081   -94.16600
   49    48 S   HC   _H5_    57     1.09944   107.47345   -71.31949
   50    45 S   CT   _C5_    48     1.54550   114.57597   160.10077
   51    50 S   HC   _H3_    49     1.09936   105.13464   -79.03355
   52    50 S   CM   _C11    50     1.52927   118.43536    39.58510
   53    50 S   CT   _C4_    76     1.53580   108.42923   166.48678
   54    53 S   HC   _H7_    77     1.09593   111.14058   -69.01560
   55    53 S   HC   _H8_    78     1.09420   111.95725   170.33918
   56    53 S   HC   _H9_    79     1.09571   110.72396    50.90372
   57    52 S   CM   _C10    51     1.34822   124.77525    19.64798
   58    57 S   HC   _H14    52     1.08821   119.18746  -178.34058
   59    52 S   CT   _C12    58     1.53259   114.56222  -157.72954
   60    59 S   HC   _H6_    59     1.09602   110.45330   -30.62634
   61    57 S   CT   _C9_    53     1.49706   126.29191    -0.34999
   62    61 S   HC   _H12    54     1.09619   109.79512    59.06746
   63    61 S   HC   _H13    55     1.09693   107.68702   173.14062
   64    59 S   CT   _C13    60     1.53575   110.04157    90.14686
   65    64 S   HC   _H15    61     1.09683   110.17904    72.24939
   66    64 S   HC   _H16    62     1.09594   110.81057   -48.33257
   67    59 S   OS   _O34    69     1.44807   111.17087  -151.45163
   68    64 S   CO4  _C14    63     1.52102   112.71861  -168.14961
   69    68 S   O    _O33    64     1.22985   123.05595     3.64228
   70    67 S   CO4  _C16    70     1.36322   117.29448    87.85349
   71    70 S   O    _O35    71     1.22297   126.54302    -1.23875
   72    68 S   CT   _C15    65     1.50698   116.02764  -176.84396
   73    72 S   HC   _H17    66     1.09274   109.58711    60.54876
   74    72 S   HC   _H18    67     1.09354   109.72862   180.00000
   75    72 S   HC   _H19    68     1.09273   109.57446   -60.52233
   76    70 S   CT   _C17    72     1.49827   109.33420   177.49462
   77    76 S   HC   _H20    73     1.09265   109.69089   -69.29004
   78    76 S   HC   _H21    74     1.09361   109.40484   171.19304
   79    76 S   HC   _H22    75     1.09295   109.92900    52.37853
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  14   6   5   8
   4  13   7  17   5   2   1   1   8   4  12   6   2   1   1  10
   5   4   7   5   4   5   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    61    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    57    61    62    63    48    49  
   41    42    43    44    45    61    48    49  
   42    43    48  
   43    44    45    46    47    50    61    48    49  
   44    45    46    47    50    51    52    57    61    62    63    48    49    53  
   45    46    47    50    61    48    49  
   46    47    50    51    52    57    61    48    49    59    53    54    55    56  
   47    50    51    52    48    53  
   50    51    52    48    53  
   49    50    52    57    58    61    62    63  
   57    61    62    63  
   51    52    57    58    61    59    60    64    67    53    54    55    56  
   52    57    59    53    54    55    56  
   57    58    61    62    63    59    60    64    65    66    68    67    70    53    54    55    56  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    59    60    64    67  
   61    62    63    59  
   60    64    65    66    68    69    72    67    70    71    76    61  
   64    65    66    68    67    70  
   62    63  
   63  
    0  
   65    66    68    69    72    73    74    75    67    70  
   66    68    69    72    67  
   68    69    72    67  
   70    71    76    77    78    79    68  
   69    72    73    74    75  
   72    73    74    75  
   71    76    77    78    79  
   76    77    78    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   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   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    57   549.000  1.340
   52    59   317.000  1.510
   57    58   340.000  1.080
   57    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    48   268.000  1.529
   48    49   340.000  1.090
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   570.000  1.229
   68    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   67    70   214.000  1.327
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    61    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    61    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    70.00000  112.02700
   45    50    53    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    57    70.00000  124.00000
   50    52    59    65.00000  117.92700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    61    70.00000  124.00000
   52    59    60    35.00000  109.50000
   52    59    64    70.00000  112.02700
   52    59    67    85.00000  110.90400
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    48    70.00000  112.02700
   61    57    58    35.00000  117.00000
   61    48    49    37.50000  110.70000
   63    61    62    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    61    62    37.50000  110.70000
   48    61    63    37.50000  110.70000
   59    52    57    70.00000  124.00000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    63.00000  111.10000
   59    67    70    83.00000  116.90000
   64    59    60    37.50000  110.70000
   64    68    69    80.00000  120.40000
   64    68    72    70.00000  116.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   72    68    69    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    64    50.00000  109.50000
   67    70    71    83.00000  123.40000
   67    70    76    81.00000  111.40000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    61   0.46850  1.0 1.0
   33    39    48    61   0.08550 -1.0 2.0
   33    39    48    61   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    61   0.09850  1.0 1.0
   40    39    48    61   0.15250 -1.0 2.0
   40    39    48    61  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    61   0.62750  1.0 1.0
   42    43    48    61  -0.30950 -1.0 2.0
   42    43    48    61   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.34400  1.0 1.0
   43    45    50    52   0.09450 -1.0 2.0
   43    45    50    52   0.11100  1.0 3.0
   43    45    50    53   0.56750  1.0 1.0
   43    45    50    53  -0.07550 -1.0 2.0
   43    45    50    53   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    61   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    61   0.56750  1.0 1.0
   45    43    48    61  -0.07550 -1.0 2.0
   45    43    48    61   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    57   0.09850  1.0 1.0
   45    50    52    57   0.15250 -1.0 2.0
   45    50    52    57  -0.50650  1.0 3.0
   45    50    52    59   0.46850  1.0 1.0
   45    50    52    59   0.08550 -1.0 2.0
   45    50    52    59   0.09800  1.0 3.0
   45    50    53    54   0.15000  1.0 3.0
   45    50    53    55   0.15000  1.0 3.0
   45    50    53    56   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    61   7.00000 -1.0 2.0
   50    52    59    60   0.34800  1.0 3.0
   50    52    59    64   0.46850  1.0 1.0
   50    52    59    64   0.08550 -1.0 2.0
   50    52    59    64   0.09800  1.0 3.0
   50    52    59    67   0.09700  1.0 1.0
   50    52    59    67   0.15600 -1.0 2.0
   50    52    59    67  -0.50800  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    52    59   0.34800  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    57    61    62   0.00000  1.0 1.0
   52    57    61    63   0.00000  1.0 1.0
   52    57    61    48   0.09850  1.0 1.0
   52    57    61    48   0.15250 -1.0 2.0
   52    57    61    48  -0.50650  1.0 3.0
   52    59    64    65   0.15000  1.0 3.0
   52    59    64    66   0.15000  1.0 3.0
   52    59    64    68  -0.98800  1.0 1.0
   52    59    64    68   0.48800 -1.0 2.0
   52    59    64    68   0.76800  1.0 3.0
   52    59    67    70  -0.82050  1.0 1.0
   52    59    67    70   0.00600 -1.0 2.0
   52    59    67    70   0.04400  1.0 3.0
   57    52    59    60   0.00000  1.0 1.0
   57    52    59    64   0.09850  1.0 1.0
   57    52    59    64   0.15250 -1.0 2.0
   57    52    59    64  -0.50650  1.0 3.0
   57    52    59    67   0.39000  1.0 1.0
   57    52    59    67  -0.05800 -1.0 2.0
   57    52    59    67  -0.55150  1.0 3.0
   57    61    48    39   0.31000  1.0 1.0
   57    61    48    39   0.14700 -1.0 2.0
   57    61    48    39   0.07550  1.0 3.0
   57    61    48    43   0.34400  1.0 1.0
   57    61    48    43   0.09450 -1.0 2.0
   57    61    48    43   0.11100  1.0 3.0
   57    61    48    49   0.15000  1.0 3.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    63   0.33100  1.0 3.0
   58    57    61    48   0.00000  1.0 1.0
   62    61    48    39   0.15000  1.0 3.0
   62    61    48    43   0.15000  1.0 3.0
   62    61    48    49   0.15000  1.0 3.0
   63    61    48    39   0.15000  1.0 3.0
   63    61    48    43   0.15000  1.0 3.0
   63    61    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   59    52    57    58   7.00000 -1.0 2.0
   59    52    57    61   7.00000 -1.0 2.0
   59    64    68    69   0.30150 -1.0 2.0
   59    64    68    72   0.60050  1.0 1.0
   59    64    68    72   0.05600 -1.0 2.0
   59    64    68    72   0.26150  1.0 3.0
   59    67    70    71   3.00000 -1.0 2.0
   59    67    70    76   1.63150  1.0 1.0
   59    67    70    76   2.92000 -1.0 2.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    68  -0.11250  1.0 3.0
   60    59    67    70   0.08050  1.0 3.0
   64    59    67    70  -0.25900  1.0 1.0
   64    59    67    70  -0.47000 -1.0 2.0
   64    59    67    70   0.11750  1.0 3.0
   64    68    72    73   0.00000  1.0 1.0
   64    68    72    74   0.00000  1.0 1.0
   64    68    72    75   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    72   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    72   0.00000  1.0 1.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   69    68    72    75   0.00000  1.0 1.0
   67    59    64    65   0.23400  1.0 3.0
   67    59    64    66   0.23400  1.0 3.0
   67    59    64    68  -0.09450  1.0 1.0
   67    59    64    68  -1.12950 -1.0 2.0
   67    59    64    68   0.54000  1.0 3.0
   67    70    76    77   0.00000  1.0 1.0
   67    70    76    78   0.00000  1.0 1.0
   67    70    76    79   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    50    52    59   0.46850  1.0 1.0
   53    50    52    59   0.08550 -1.0 2.0
   53    50    52    59   0.09800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   50    59    52    57   1.10000 -1.0 2.0
   61    58    57    52   1.10000 -1.0 2.0
   64    72    68    69  10.50000 -1.0 2.0
   67    76    70    71  10.50000 -1.0 2.0
END
