* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    226     430
    1     0 S   NP   _N1_     1    29.00182    92.67867   -21.63439
    2     1 S   H    _HN1     2     1.02776    92.26227   -83.25976
    3     1 S   H    _H1_     3     1.02976    99.27242    25.72660
    4     1 S   H    _H2_     4     1.02836    21.51683   139.04564
    5     1 S   CT   _CA1     5     1.50192   131.71424   153.82964
    6     5 S   HC   _HA1     6     1.09559   105.30829    53.75589
    7     5 S   CO3  _C1_     7     1.53793   112.33425   -66.62103
    8     7 S   O2Z  _O11     8     1.26369   115.01264   -41.93894
    9     7 S   O2Z  _O12     9     1.26234   114.91675   137.15641
   10     5 S   CT   _CB1    10     1.52960   107.27134   171.79910
   11    10 S   HC   HB11    11     1.09793   109.33510   -49.73958
   12    10 S   HC   HB12    12     1.09765   110.13795    66.80430
   13    10 S   CT   _CG1    13     1.52999   113.16716  -170.84605
   14    13 S   HC   HG11    14     1.09572   110.45719   -60.29447
   15    13 S   HC   HG12    15     1.09607   110.21846    59.17996
   16    13 S   C    _CD1    16     1.51772   111.74905   179.50150
   17    16 S   O    _OE1    17     1.22734   123.16253    -7.58809
   18    16 S   N    _N2_    18     1.38555   112.04311   172.35366
   19    18 S   H    _HN2    19     1.01577   119.30113     1.93330
   20    18 S   CT1  _CA2    20     1.46164   122.78939  -175.61483
   21    20 S   HC   _HA2    21     1.09618   109.14695   -14.73698
   22    20 S   C    _C2_    22     1.53337   108.82638  -130.28561
   23    22 S   O    _O2_    23     1.23019   122.18258  -147.61600
   24    20 S   CT   _CB2    32     1.53459   111.54395   107.19220
   25    24 S   HC   HB21    33     1.09657   109.49973    62.85044
   26    24 S   HC   HB22    34     1.09562   111.13056  -179.67434
   27    22 S   N    _N3_    24     1.38495   113.38113    39.90072
   28    27 S   H    _HN3    25     1.01529   118.87743    -0.69886
   29    24 S   S    _SG2    35     1.82672   114.00845   -56.40617
   30    27 S   CT   _CA3    26     1.45439   123.44120   174.81938
   31    30 S   HC   HA31    27     1.09524   109.21120    24.90858
   32    30 S   HC   HA32    28     1.09493   107.13400   141.93391
   33    29 S   CT   _C22    36     1.82309    99.88971   -75.77878
   34    33 S   HC   _H21    37     1.09481   108.54713   -65.76694
   35    33 S   HC   _H22    38     1.09274   110.39307    51.41208
   36    30 S   CO3  _C3_    29     1.52933   113.12035   -98.52993
   37    36 S   O2Z  _O31    30     1.26401   115.41934   -43.68594
   38    36 S   O2Z  _O32    31     1.26357   114.96490   137.23840
   39    33 S   CM   _C20    39     1.50137   109.21335   172.72266
   40    39 S   CMA  _C21    40     1.34938   127.24274    92.56451
   41    40 S   OM   _O38    41     1.26319   127.81311     1.31997
   42    40 S   OS   _O37    42     1.41567   110.11547  -178.21031
   43    42 S   CT   _C7_    43     1.44162   108.11882     5.90711
   44    43 S   HC   _H3_    44     1.09406   104.85485  -131.55595
   45    43 S   CM   _C6_    45     1.52202   108.84169   113.05736
   46    45 S   HC   _H9_    46     1.08836   116.02836   -11.92807
   47    39 S   CT   _C8_    59     1.50239   120.59768   -87.92372
   48    47 S   HC   _H4_    60     1.09531   107.50743    55.32816
   49    45 S   CM   _C5_    47     1.35140   125.22340   166.45332
   50    49 S   CM   _C14    48     1.44314   120.50737     3.28116
   51    49 S   CT   _C4_    77     1.49903   122.75694  -178.01003
   52    51 S   HC   _H6_    78     1.09524   110.76698   118.32557
   53    51 S   HC   _H7_    79     1.09536   111.87241    -1.61325
   54    51 S   HC   _H8_    80     1.09544   110.57704  -121.37750
   55    50 S   CM   _C13    49     1.32999   127.56802  -109.53729
   56    55 S   HC   _H12    50     1.07340   131.25600    -4.95899
   57    55 S   CO4  _C12    51     1.46343   100.40404   164.31774
   58    57 S   O    _O33    52     1.22069   123.46209   173.24268
   59    57 S   CT   _C11    53     1.51482   110.15400   -10.14629
   60    59 S   CT   _C10    54     1.54252   110.76178   -93.33074
   61    60 S   HC   _H10    55     1.09868   109.78337    22.94234
   62    60 S   HC   _H11    56     1.09930   108.50074   -88.15902
   63    50 S   OS   _O34    72     1.38864   114.64905    62.98442
   64    59 S   CT   _C15    73     1.51780   112.29331   138.64828
   65    64 S   HC   _H13    74     1.09361   110.93633  -173.88900
   66    64 S   HC   _H14    75     1.09487   111.55265    65.10323
   67    64 S   HC   _H15    76     1.09606   110.99845   -55.26003
   68    60 S   CT   _C9_    57     1.55290   118.55671   147.35814
   69    68 S   HC   _H5_    58     1.09689   108.54305    66.87669
   70    68 S   OS   _O35    61     1.45468   105.96915  -175.88111
   71    70 S   CO4  _C16    62     1.35829   118.18170   -88.63285
   72    71 S   O    _O36    63     1.22225   126.10376     2.09854
   73    71 S   CM   _C17    64     1.48958   109.32357  -177.99260
   74    73 S   CM   _C18    65     1.34141   117.42995  -175.21443
   75    74 S   HC   _H16    66     1.08549   120.93281  -179.76179
   76    74 S   HC   _H17    67     1.08532   122.45208     0.23821
   77    73 S   CT   _C19    68     1.49810   120.05365     5.19595
   78    77 S   HC   _H18    69     1.09495   110.68261   -60.93233
   79    77 S   HC   _H19    70     1.09467   110.51739    59.63490
   80    77 S   HC   _H20    71     1.09537   111.86780   179.28509
  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   8  12   6  12   4  10   4
  10  12   5   2   1   1   7   4  11   4  11  11   6   5   5   4
   2   1   1   5   2   5   9   3   7   6   2   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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    60    68    69    47    48    70  
   41    42    43    44    45    68    47    48  
   42    43    47  
   43    44    45    46    49    68    47    48  
   44    45    46    49    50    60    68    69    47    48    70    51  
   45    46    49    68    47    48  
   46    49    50    55    68    47    48    63    51    52    53    54  
   49    50    47    51  
   48    70    71    49    59    60    61    62    68    69  
   70    60    68    69  
   50    55    56    57    59    63    51    52    53    54  
   55    56    57    58    59    60    63    64    51    52    53    54  
   52    53    54    55    63  
   53    54  
   54  
    0  
   56    57    58    59    60    63    64  
   57    58    59    63  
   58    59    60    61    62    68    63    64    65    66    67  
   59    60    63    64  
   60    61    62    68    69    70    63    64    65    66    67  
   61    62    68    69    70    71    63    64    65    66    67  
   62    68    69    70    63    64  
   68    69    70    63    64  
   64    65    66    67    68  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71  
   71    72    73    74    77  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   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    47   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   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   380.000  1.444
   49    51   317.000  1.510
   50    55   549.000  1.340
   50    63   440.000  1.360
   55    56   340.000  1.080
   55    57   320.000  1.462
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   268.000  1.529
   59    63   320.000  1.410
   59    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    47   268.000  1.529
   68    70   320.000  1.410
   47    48   340.000  1.090
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    47    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    47    43    70.00000  112.02700
   39    47    68    70.00000  112.02700
   39    47    48    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    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    68    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  123.01800
   45    49    51    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    55    70.00000  123.01800
   49    50    63    80.00000  120.01400
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    57    65.00000  118.96000
   50    63    59    90.00000  111.18400
   55    57    58    80.00000  123.72100
   55    57    59    65.00000  118.62400
   57    55    56    40.00000  117.72500
   57    59    60    63.00000  111.10000
   57    59    63    90.00000  108.74100
   57    59    64    63.00000  111.10000
   59    57    58    80.00000  120.40000
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    68    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    47    58.35000  112.70000
   60    68    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    47    48    37.50000  110.70000
   68    70    71    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    68    69    37.50000  110.70000
   70    68    69    35.00000  109.50000
   70    68    47    50.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    77    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    50    55    80.00000  120.01400
   63    59    60    50.00000  109.50000
   64    59    60    58.35000  112.70000
   64    59    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   51    49    50    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   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    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    68   0.46850  1.0 1.0
   33    39    47    68   0.08550 -1.0 2.0
   33    39    47    68   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   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   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    68   0.09850  1.0 1.0
   40    39    47    68   0.15250 -1.0 2.0
   40    39    47    68  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    68   0.62750  1.0 1.0
   42    43    47    68  -0.30950 -1.0 2.0
   42    43    47    68   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    51   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    68   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    68   0.34400  1.0 1.0
   45    43    47    68   0.09450 -1.0 2.0
   45    43    47    68   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    55   0.28850  1.0 1.0
   45    49    50    55   2.61350 -1.0 2.0
   45    49    50    55   0.78400  1.0 3.0
   45    49    50    63  -0.51250  1.0 1.0
   45    49    50    63   1.23350 -1.0 2.0
   45    49    51    52   0.00000  1.0 1.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    54   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    50    55    56   7.00000 -1.0 2.0
   49    50    55    57   7.00000 -1.0 2.0
   49    50    63    59  -2.26850  1.0 1.0
   49    50    63    59   3.39050 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   50    55    57    58   1.00000 -1.0 2.0
   50    55   -57    59  -0.33500  1.0 1.0
   50    55   -57    59   1.06600 -1.0 2.0
   50    55   -57    59  -0.14000  1.0 3.0
   55    50   -63    59  -2.26850  1.0 1.0
   55    50   -63    59   3.39050 -1.0 2.0
   55    57    59    60   0.65300  1.0 1.0
   55    57    59    60  -0.03850 -1.0 2.0
   55    57    59    60   0.33900  1.0 3.0
   55    57   -59    63   0.65300  1.0 1.0
   55    57   -59    63  -0.03850 -1.0 2.0
   55    57   -59    63   0.33900  1.0 3.0
   55    57    59    64   0.65300  1.0 1.0
   55    57    59    64  -0.03850 -1.0 2.0
   55    57    59    64   0.33900  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.04550  1.0 1.0
   56    55    57    59   0.83000 -1.0 2.0
   56    55    57    59  -0.04000  1.0 3.0
   57    59    60    61  -0.11250  1.0 3.0
   57    59    60    62  -0.11250  1.0 3.0
   57    59    60    68  -0.95700  1.0 1.0
   57    59    60    68  -0.18200 -1.0 2.0
   57    59    60    68   0.29450  1.0 3.0
   57    59   -63    50  -0.48150  1.0 1.0
   57    59   -63    50   0.09250 -1.0 2.0
   57    59   -63    50  -0.12850  1.0 3.0
   57    59    64    65  -0.11250  1.0 3.0
   57    59    64    66  -0.11250  1.0 3.0
   57    59    64    67  -0.11250  1.0 3.0
   58    57    59    60   0.30150 -1.0 2.0
   58    57    59    63   0.30150 -1.0 2.0
   58    57    59    64   0.30150 -1.0 2.0
   59    60    68    69   0.15000  1.0 3.0
   59    60    68    47   0.56750  1.0 1.0
   59    60    68    47  -0.07550 -1.0 2.0
   59    60    68    47   0.20000  1.0 3.0
   59    60    68    70   0.62750  1.0 1.0
   59    60    68    70  -0.30950 -1.0 2.0
   59    60    68    70   0.27300  1.0 3.0
   60    59    63    50  -0.46850  1.0 1.0
   60    59    63    50   0.09300 -1.0 2.0
   60    59    63    50  -0.12850  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    68    47    39   0.34400  1.0 1.0
   60    68    47    39   0.09450 -1.0 2.0
   60    68    47    39   0.11100  1.0 3.0
   60    68    47    43   0.56750  1.0 1.0
   60    68    47    43  -0.07550 -1.0 2.0
   60    68    47    43   0.20000  1.0 3.0
   60    68    47    48   0.15000  1.0 3.0
   60    68    70    71  -0.25900  1.0 1.0
   60    68    70    71  -0.47000 -1.0 2.0
   60    68    70    71   0.11750  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    47   0.15000  1.0 3.0
   61    60    68    70   0.23400  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    47   0.15000  1.0 3.0
   62    60    68    70   0.23400  1.0 3.0
   68    70    71    72   3.00000 -1.0 2.0
   68    70    71    73   2.00000 -1.0 2.0
   69    68    47    39   0.15000  1.0 3.0
   69    68    47    43   0.15000  1.0 3.0
   69    68    47    48   0.15000  1.0 3.0
   69    68    70    71   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    68    70    71  -0.25900  1.0 1.0
   47    68    70    71  -0.47000 -1.0 2.0
   47    68    70    71   0.11750  1.0 3.0
   70    68    47    39   0.61850  1.0 1.0
   70    68    47    39  -0.22750 -1.0 2.0
   70    68    47    39   0.15300  1.0 3.0
   70    68    47    43   0.62750  1.0 1.0
   70    68    47    43  -0.30950 -1.0 2.0
   70    68    47    43   0.27300  1.0 3.0
   70    68    47    48   0.23400  1.0 3.0
   70    71    73    74  -0.56150  1.0 1.0
   70    71    73    74   2.19150 -1.0 2.0
   70    71    73    77  -0.15000  1.0 1.0
   70    71    73    77   0.89550 -1.0 2.0
   70    71    73    77  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.15000  1.0 3.0
   71    73    77    79   0.15000  1.0 3.0
   71    73    77    80   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    77  -0.64400  1.0 1.0
   72    71    73    77   0.26850 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   63    50    55    56   7.00000 -1.0 2.0
   63    50   -55    57   7.00000 -1.0 2.0
   63    59    60    61   0.23400  1.0 3.0
   63    59    60    62   0.23400  1.0 3.0
   63    59    60    68   0.62750  1.0 1.0
   63    59    60    68  -0.30950 -1.0 2.0
   63    59    60    68   0.27300  1.0 3.0
   63    59    64    65   0.23400  1.0 3.0
   63    59    64    66   0.23400  1.0 3.0
   63    59    64    67   0.23400  1.0 3.0
   64    59    60    61   0.15000  1.0 3.0
   64    59    60    62   0.15000  1.0 3.0
   64    59    60    68   0.56750  1.0 1.0
   64    59    60    68  -0.07550 -1.0 2.0
   64    59    60    68   0.20000  1.0 3.0
   64    59    63    50  -0.46850  1.0 1.0
   64    59    63    50   0.09300 -1.0 2.0
   64    59    63    50  -0.12850  1.0 3.0
   51    49    50    55  -0.18600  1.0 3.0
   51    49    50    63   1.08500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    51    49    45   1.10000 -1.0 2.0
   49    63    50    55   1.10000 -1.0 2.0
   57    56    55    50   1.10000 -1.0 2.0
   55    59    57    58  10.50000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
END
