* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    239     450
    1     0 S   NP   _N1_     1    28.99059    97.26968   -20.75755
    2     1 S   H    _HN1     2     1.02773    91.93419   -93.45924
    3     1 S   H    _H1_     3     1.02951    70.23874    15.47222
    4     1 S   H    _H2_     4     1.02820    47.69211   153.77047
    5     1 S   CT   _CA1     5     1.50143   153.13908   111.56944
    6     5 S   HC   _HA1     6     1.09571   105.14747    91.19360
    7     5 S   CO3  _C1_     7     1.53887   112.63251   -28.86108
    8     7 S   O2Z  _O11     8     1.26371   114.83983   -35.74904
    9     7 S   O2Z  _O12     9     1.26264   115.02769   143.30424
   10     5 S   CT   _CB1    10     1.53109   107.37981  -150.74023
   11    10 S   HC   HB11    11     1.09820   109.49892   -48.74556
   12    10 S   HC   HB12    12     1.09809   110.41951    68.02177
   13    10 S   CT   _CG1    13     1.52822   112.39728  -169.69439
   14    13 S   HC   HG11    14     1.09566   110.38367   -66.60877
   15    13 S   HC   HG12    15     1.09676   109.80225    52.46773
   16    13 S   C    _CD1    16     1.51781   112.62751   173.30145
   17    16 S   O    _OE1    17     1.22675   123.49099     9.12305
   18    16 S   N    _N2_    18     1.38480   111.26874  -171.58368
   19    18 S   H    _HN2    19     1.01658   118.66363     2.07490
   20    18 S   CT1  _CA2    20     1.46048   124.20799  -178.91394
   21    20 S   HC   _HA2    21     1.09726   109.45833     1.28953
   22    20 S   C    _C2_    22     1.53468   108.51964  -114.36906
   23    22 S   O    _O2_    23     1.23057   122.32643  -147.21082
   24    20 S   CT   _CB2    32     1.53497   110.86338   123.42253
   25    24 S   HC   HB21    33     1.09390   109.67322    53.75175
   26    24 S   HC   HB22    34     1.09482   110.20287   172.66880
   27    22 S   N    _N3_    24     1.38370   113.64919    40.43532
   28    27 S   H    _HN3    25     1.01602   119.55051    -4.06231
   29    24 S   S    _SG2    35     1.82978   111.03137   -68.44744
   30    27 S   CT   _CA3    26     1.45284   123.12329   176.88297
   31    30 S   HC   HA31    27     1.09557   107.57986   -61.82910
   32    30 S   HC   HA32    28     1.09558   107.87027    54.55197
   33    29 S   CT   _C14    36     1.86375   102.55402   157.57007
   34    30 S   CO3  _C3_    29     1.52944   114.17845   176.43806
   35    34 S   O2Z  _O31    30     1.26366   116.09769    -2.33523
   36    34 S   O2Z  _O32    31     1.26442   114.40595   177.70953
   37    33 S   CT   _C13    37     1.58436   107.12290   162.05057
   38    37 S   HC   _H16    38     1.10095   107.19119   -53.23607
   39    37 S   HC   _H17    39     1.10072   107.07878  -165.31150
   40    33 S   CT   _C15    61     1.58277   114.66245   -72.49571
   41    40 S   HC   _H5_    62     1.09544   105.86109  -150.86016
   42    33 S   CT   _C21    79     1.55497   107.65151    50.56360
   43    42 S   HC   _H21    80     1.09419   113.28649   -65.27565
   44    42 S   HC   _H22    81     1.09707   110.45006   175.32601
   45    42 S   HC   _H23    82     1.09686   111.74860    56.30977
   46    37 S   CT   _C12    40     1.54237   124.33001    70.86028
   47    46 S   HC   _H4_    41     1.09707   108.12314  -173.94514
   48    40 S   OH   _O37    63     1.43364   110.62390    96.61366
   49    48 S   HO   _H20    64     0.97210   107.96333   169.06514
   50    46 S   CM   _C11    42     1.47478   114.94909    64.29936
   51    50 S   HC   _H15    43     1.08105   124.03961    52.04133
   52    50 S   CM   _C10    44     1.33004   110.93252  -121.47188
   53    52 S   CO4  _C22    45     1.46966   106.61527    -5.51846
   54    53 S   O    _O39    46     1.21811   125.65362  -176.26797
   55    52 S   CT   _C9_    48     1.48134   128.25197   168.46517
   56    55 S   HC   _H13    49     1.09885   109.60557    22.60141
   57    55 S   HC   _H14    50     1.09662   109.27257   136.61756
   58    46 S   OS   _O38    47     1.42811   113.28760   -55.22834
   59    55 S   CT   _C8_    51     1.55513   114.56159   -99.55005
   60    59 S   HC   _H3_    52     1.09878   110.44481   -70.20331
   61    59 S   CT   _C17    53     1.56380   113.30779    52.67878
   62    61 S   HC   _H7_    54     1.09690   108.51485    45.01032
   63    59 S   OS   _O34    68     1.45308   106.51321   171.48795
   64    61 S   CM   _C18    55     1.49307   113.88725   167.59299
   65    63 S   CO4  _C7_    69     1.36114   117.36630    80.47064
   66    65 S   O    _O33    70     1.22218   125.89818    -1.42656
   67    64 S   CO4  _C20    56     1.46984   110.15319   102.05158
   68    67 S   O    _O35    57     1.21702   127.39010  -169.97252
   69    64 S   CM   _C19    65     1.33595   128.33434   -83.23420
   70    69 S   HC   _H18    66     1.08472   120.74949     2.49073
   71    69 S   HC   _H19    67     1.08513   121.83872  -177.35610
   72    65 S   CM   _C5_    71     1.48908   109.80510   179.33148
   73    67 S   OS   _O36    58     1.35722   106.90309    10.58965
   74    72 S   CM   _C6_    72     1.34160   117.27990  -175.08454
   75    74 S   HC   _H11    73     1.08544   120.98851  -179.69610
   76    74 S   HC   _H12    74     1.08553   122.44165     0.60198
   77    72 S   CT   _C4_    75     1.49676   120.34445     5.64459
   78    77 S   HC   _H8_    76     1.09402   110.49659   -65.91639
   79    77 S   HC   _H9_    77     1.09494   110.73379    54.77363
   80    77 S   HC   _H10    78     1.09545   111.86297   174.41847
   81    61 S   CT   _C16    59     1.54340   112.23624   -79.24135
   82    81 S   HC   _H6_    60     1.08411   109.99201    10.02482
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   5
   1   9   4  10   6   2  11   5   4   1  13   6  12   7   7   8
   9   3   7   3   4   1   1   7   2   6   2   1   3   2   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    81    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    58    61    73    81    82    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    53    58    81    40    41    48    42    43    44    45  
   39    46    47    50    58    40    42  
   46    47    50    58    40    42  
   41    48    49    42    43    44    45    46    59    61    62    64    67    73    81    82  
   48    49    42    61    73    81    82  
   43    44    45    46    48    81  
   44    45  
   45  
    0  
   47    50    51    52    53    54    58    55  
   50    51    52    53    58  
   49    61    73    81    82  
   81  
   51    52    53    54    58    55    56    57    59  
   52    53    58    55  
   53    54    58    55    56    57    59    60    61    63  
   54    58    55    56    57    59  
   58    55  
   56    57    59    60    61    62    64    81    63    65    58  
   57    59    60    61    63  
   59    60    61    63  
    0  
   60    61    62    64    67    73    81    82    69    63    65    66    72  
   61    62    64    81    63    65  
   62    64    67    68    73    81    82    69    70    71    63    65  
   64    67    73    81    82    69    63  
   65    66    72    74    77    64    81  
   67    68    73    81    82    69    70    71  
   66    72    74    75    76    77    78    79    80  
   72    74    77  
   68    73    81    82    69    70    71  
   73    81    69  
   70    71    73    81  
   71  
    0  
   74    75    76    77    78    79    80  
   81    82  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   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    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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    58   320.000  1.410
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   53    58   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    81   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    81   320.000  1.410
   81    82   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    74   549.000  1.340
   72    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
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    70.00000  112.02700
   37    46    58    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    52    70.00000  124.00000
   46    58    53    83.00000  116.90000
   50    46    47    35.00000  109.50000
   50    52    53    65.00000  118.96000
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.02700
   58    46    47    35.00000  109.50000
   58    46    50    85.00000  110.90400
   58    53    54    83.00000  123.40000
   55    52    53    65.00000  116.34900
   55    59    60    37.50000  110.70000
   55    59    61    58.35000  112.70000
   55    59    63    50.00000  109.50000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    64    70.00000  112.02700
   59    61    81    58.35000  112.70000
   59    63    65    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    81    73    50.00000  109.50000
   61    81    82    37.50000  110.70000
   61    81    40    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    73    81    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    81    82    35.00000  109.50000
   73    81    40    50.00000  109.50000
   81    61    62    37.50000  110.70000
   81    61    64    70.00000  112.02700
   81    40    41    37.50000  110.70000
   81    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    74    65.00000  118.96000
   65    72    77    65.00000  116.34900
   72    65    66    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    76    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    72    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
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.34400  1.0 1.0
   33    37    46    50   0.09450 -1.0 2.0
   33    37    46    50   0.11100  1.0 3.0
   33    37    46    58   0.62750  1.0 1.0
   33    37    46    58  -0.30950 -1.0 2.0
   33    37    46    58   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    52   0.09850  1.0 1.0
   37    46    50    52   0.15250 -1.0 2.0
   37    46    50    52  -0.50650  1.0 3.0
   37    46    58    53  -0.25900  1.0 1.0
   37    46    58    53  -0.47000 -1.0 2.0
   37    46    58    53   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    58   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    58   0.23400  1.0 3.0
   46    50   -52    53   7.00000 -1.0 2.0
   46    50    52    55   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    58    53   0.08050  1.0 3.0
   50    46   -58    53  -0.82050  1.0 1.0
   50    46   -58    53   0.00600 -1.0 2.0
   50    46   -58    53   0.04400  1.0 3.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52   -53    58  -0.56150  1.0 1.0
   50    52   -53    58   2.19150 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    59   0.09850  1.0 1.0
   50    52    55    59   0.15250 -1.0 2.0
   50    52    55    59  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53   -58    46   2.00000 -1.0 2.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.34400  1.0 1.0
   52    55    59    61   0.09450 -1.0 2.0
   52    55    59    61   0.11100  1.0 3.0
   52    55    59    63   0.61850  1.0 1.0
   52    55    59    63  -0.22750 -1.0 2.0
   52    55    59    63   0.15300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.09700  1.0 1.0
   53    52    55    59   0.15600 -1.0 2.0
   53    52    55    59  -0.50800  1.0 3.0
   54    53    58    46   3.00000 -1.0 2.0
   58    46    50    51   0.00000  1.0 1.0
   58    46   -50    52   0.39000  1.0 1.0
   58    46   -50    52  -0.05800 -1.0 2.0
   58    46   -50    52  -0.55150  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    52    53    58  -0.15000  1.0 1.0
   55    52    53    58   0.89550 -1.0 2.0
   55    52    53    58  -0.06900  1.0 3.0
   55    59    61    62   0.15000  1.0 3.0
   55    59    61    64   0.34400  1.0 1.0
   55    59    61    64   0.09450 -1.0 2.0
   55    59    61    64   0.11100  1.0 3.0
   55    59    61    81   0.56750  1.0 1.0
   55    59    61    81  -0.07550 -1.0 2.0
   55    59    61    81   0.20000  1.0 3.0
   55    59    63    65  -0.25900  1.0 1.0
   55    59    63    65  -0.47000 -1.0 2.0
   55    59    63    65   0.11750  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.23400  1.0 3.0
   59    61    64    67   0.09700  1.0 1.0
   59    61    64    67   0.15600 -1.0 2.0
   59    61    64    67  -0.50800  1.0 3.0
   59    61    64    69   0.09850  1.0 1.0
   59    61    64    69   0.15250 -1.0 2.0
   59    61    64    69  -0.50650  1.0 3.0
   59    61    81    73   0.62750  1.0 1.0
   59    61    81    73  -0.30950 -1.0 2.0
   59    61    81    73   0.27300  1.0 3.0
   59    61    81    82   0.15000  1.0 3.0
   59    61    81    40   0.56750  1.0 1.0
   59    61    81    40  -0.07550 -1.0 2.0
   59    61    81    40   0.20000  1.0 3.0
   59    63    65    66   3.00000 -1.0 2.0
   59    63    65    72   2.00000 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    81   0.15000  1.0 3.0
   60    59    63    65   0.08050  1.0 3.0
   61    59    63    65  -0.25900  1.0 1.0
   61    59    63    65  -0.47000 -1.0 2.0
   61    59    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    73  -0.15000  1.0 1.0
   61    64   -67    73   0.89550 -1.0 2.0
   61    64   -67    73  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    81    40    33   0.56750  1.0 1.0
   61    81    40    33  -0.07550 -1.0 2.0
   61    81    40    33   0.20000  1.0 3.0
   61    81    40    41   0.15000  1.0 3.0
   61    81    40    48   0.86500  1.0 1.0
   61    81    40    48  -0.17500 -1.0 2.0
   61    81    40    48   0.20800  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    81    73   0.23400  1.0 3.0
   62    61    81    82   0.15000  1.0 3.0
   62    61    81    40   0.15000  1.0 3.0
   64    61   -81    73   0.61850  1.0 1.0
   64    61   -81    73  -0.22750 -1.0 2.0
   64    61   -81    73   0.15300  1.0 3.0
   64    61    81    82   0.15000  1.0 3.0
   64    61    81    40   0.34400  1.0 1.0
   64    61    81    40   0.09450 -1.0 2.0
   64    61    81    40   0.11100  1.0 3.0
   64    67   -73    81   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    73   -81    61  -0.25900  1.0 1.0
   67    73   -81    61  -0.47000 -1.0 2.0
   67    73   -81    61   0.11750  1.0 3.0
   67    73    81    82   0.08050  1.0 3.0
   67    73    81    40  -0.25900  1.0 1.0
   67    73    81    40  -0.47000 -1.0 2.0
   67    73    81    40   0.11750  1.0 3.0
   68    67    73    81   3.00000 -1.0 2.0
   73    81    40    33   0.62750  1.0 1.0
   73    81    40    33  -0.30950 -1.0 2.0
   73    81    40    33   0.27300  1.0 3.0
   73    81    40    41   0.23400  1.0 3.0
   73    81    40    48   3.69350  1.0 1.0
   73    81    40    48  -1.82950 -1.0 2.0
   81    61   -64    67   0.09700  1.0 1.0
   81    61   -64    67   0.15600 -1.0 2.0
   81    61   -64    67  -0.50800  1.0 3.0
   81    61    64    69   0.09850  1.0 1.0
   81    61    64    69   0.15250 -1.0 2.0
   81    61    64    69  -0.50650  1.0 3.0
   81    40    48    49  -0.11600  1.0 1.0
   81    40    48    49  -0.09450 -1.0 2.0
   81    40    48    49   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    64   0.61850  1.0 1.0
   63    59    61    64  -0.22750 -1.0 2.0
   63    59    61    64   0.15300  1.0 3.0
   63    59    61    81   0.62750  1.0 1.0
   63    59    61    81  -0.30950 -1.0 2.0
   63    59    61    81   0.27300  1.0 3.0
   63    65    72    74  -0.56150  1.0 1.0
   63    65    72    74   2.19150 -1.0 2.0
   63    65    72    77  -0.15000  1.0 1.0
   63    65    72    77   0.89550 -1.0 2.0
   63    65    72    77  -0.06900  1.0 3.0
   65    72    74    75   7.00000 -1.0 2.0
   65    72    74    76   7.00000 -1.0 2.0
   65    72    77    78   0.15000  1.0 3.0
   65    72    77    79   0.15000  1.0 3.0
   65    72    77    80   0.15000  1.0 3.0
   66    65    72    74   1.00000 -1.0 2.0
   66    65    72    77  -0.64400  1.0 1.0
   66    65    72    77   0.26850 -1.0 2.0
   74    72    77    78   0.00000  1.0 1.0
   74    72    77    79   0.00000  1.0 1.0
   74    72    77    80   0.00000  1.0 1.0
   77    72    74    75   7.00000 -1.0 2.0
   77    72    74    76   7.00000 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   46    51    50    52   1.10000 -1.0 2.0
   53    55    52    50   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    77    72    74  15.00000 -1.0 2.0
   75    76    74    72  15.00000 -1.0 2.0
END
