* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    237     443
    1     0 S   NP   _N1_     1    28.67317    95.93825   -21.92699
    2     1 S   H    _HN1     2     1.02784    92.73185   -91.20698
    3     1 S   H    _H1_     3     1.02951    80.07950    16.92561
    4     1 S   H    _H2_     4     1.02831    37.66723   152.62808
    5     1 S   CT   _CA1     5     1.50120   146.72923   129.18543
    6     5 S   HC   _HA1     6     1.09570   105.24682    74.43561
    7     5 S   CO3  _C1_     7     1.53826   112.23693   -45.87505
    8     7 S   O2Z  _O11     8     1.26373   115.01929   -46.72060
    9     7 S   O2Z  _O12     9     1.26216   114.92616   132.27920
   10     5 S   CT   _CB1    10     1.53061   107.40770  -167.59185
   11    10 S   HC   HB11    11     1.09827   109.52932   -49.39849
   12    10 S   HC   HB12    12     1.09818   110.39155    67.23144
   13    10 S   CT   _CG1    13     1.52971   112.55153  -170.37900
   14    13 S   HC   HG11    14     1.09527   110.50909   -61.20542
   15    13 S   HC   HG12    15     1.09649   109.97585    57.99336
   16    13 S   C    _CD1    16     1.51763   112.19708   178.40787
   17    16 S   O    _OE1    17     1.22746   123.26501    -1.78334
   18    16 S   N    _N2_    18     1.38622   111.68397   178.36937
   19    18 S   H    _HN2    19     1.01606   119.06651     1.83611
   20    18 S   CT1  _CA2    20     1.46209   123.32514  -179.52358
   21    20 S   HC   _HA2    21     1.09738   109.29457     0.77632
   22    20 S   C    _C2_    22     1.53464   109.06838  -114.92257
   23    22 S   O    _O2_    23     1.23074   122.19545  -150.19969
   24    20 S   CT   _CB2    32     1.53485   111.38305   122.46980
   25    24 S   HC   HB21    33     1.09415   109.37990    59.06096
   26    24 S   HC   HB22    34     1.09427   109.91744   177.74988
   27    22 S   N    _N3_    24     1.38312   113.76634    37.38356
   28    27 S   H    _HN3    25     1.01603   119.51379    -3.83783
   29    24 S   S    _SG2    35     1.82986   110.91661   -62.56578
   30    27 S   CT   _CA3    26     1.45285   123.16378   176.92916
   31    30 S   HC   HA31    27     1.09551   107.53392   -63.71948
   32    30 S   HC   HA32    28     1.09558   107.94027    52.68977
   33    29 S   CT   _C12    36     1.91415   101.75544   168.27489
   34    30 S   CO3  _C3_    29     1.52942   114.13618   174.66939
   35    34 S   O2Z  _O31    30     1.26368   116.06927    -0.61834
   36    34 S   O2Z  _O32    31     1.26431   114.40798   179.44539
   37    33 S   CM   _C11    37     1.52886   104.80522   -63.32279
   38    37 S   HC   _H12    38     1.08835   117.77739    97.19046
   39    33 S   CT   _C13    63     1.55201   111.33994    59.63708
   40    39 S   HC   _H3_    64     1.09785   108.73009   -61.39504
   41    37 S   CMA  _C10    39     1.35232   122.80053   -84.24273
   42    41 S   OM   _O35    40     1.26039   130.14084  -177.79824
   43    39 S   NT   _N4_    65     1.48315   110.09720  -176.74948
   44    41 S   CM   _C9_    41     1.47999   116.00321     2.46657
   45    43 S   CT   _C5_    66     1.46146   113.87407   -62.87675
   46    45 S   HC   _H7_    67     1.09652   111.52470   -69.59326
   47    45 S   HC   _H8_    68     1.09755   109.56630   173.34371
   48    43 S   CT   _C4_    72     1.45959   113.56126   168.17302
   49    48 S   HC   _H4_    73     1.09547   110.92209   -51.54011
   50    48 S   HC   _H5_    74     1.09596   110.14057  -168.99468
   51    48 S   HC   _H6_    75     1.09448   112.97040    70.51078
   52    44 S   CM   _C8_    42     1.35020   121.35748   -23.44806
   53    52 S   HC   _H11    43     1.08306   116.93701   179.67555
   54    58 S   CT   _C6_    69     1.56666   109.38419  -177.92114
   55    54 S   HC   _H9_    70     1.09823   110.69442   -69.66366
   56    54 S   HC   _H10    71     1.09735   111.13289   173.96298
   57    44 S   OS   _O36    76     1.39000   118.65372   158.65726
   58    33 S   CT   _C7_    44     1.59058   110.96487   178.25168
   59    57 S   CT   _C22    77     1.42809   110.62053   -88.16545
   60    59 S   HC   _H21    78     1.09390   107.88587  -179.25770
   61    59 S   HC   _H22    79     1.09489   111.32776    62.29872
   62    59 S   HC   _H23    80     1.09549   111.05212   -60.92907
   63    58 S   CA   _C16    45     1.55144   110.72099   -61.37598
   64    63 S   CA   _C15    46     1.42285   118.66449   -26.57450
   65    64 S   CA   _C20    47     1.40881   120.67831   177.68269
   66    65 S   HA   _H16    48     1.08794   120.06772  -178.92772
   67    64 S   CT   _C14    60     1.51760   123.01094    -3.03009
   68    67 S   HC   _H13    61     1.09851   107.46123   119.42029
   69    67 S   HC   _H14    62     1.09580   108.69137  -127.19773
   70    65 S   CA   _C19    49     1.38778   120.95751     1.62414
   71    70 S   HA   _H15    50     1.08573   120.12796   179.62518
   72    70 S   CA   _C18    51     1.38812   119.07078     1.39900
   73    63 S   CA   _C17    52     1.41234   124.43063   157.53735
   74    72 S   OS   _O33    55     1.37288   118.30524   175.51192
   75    73 S   OH   _O34    53     1.37028   123.31591     6.57283
   76    75 S   HO   _H20    54     0.97011   108.93611    26.85578
   77    74 S   CT   _C21    56     1.42803   109.85615    94.35532
   78    77 S   HC   _H17    57     1.09408   107.81493   179.94405
   79    77 S   HC   _H18    58     1.09551   111.38050    61.60518
   80    77 S   HC   _H19    59     1.09566   111.12357   -61.84832
  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  12   5   4   3
  22   2   1   1  13   5  19   8   7   3  15  10  13   6   5   5
   2   1   1  10   4   6   3   2   5   7   3   2   1   1  12  10
   9   4   4   1   1   6   3   8   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    58    63    67    39    40    43    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    52    53    58    63    64    73    67    68    69    39    40    43    45    54    55    56    48  
   35    36  
   36  
    0  
   38    41    42    44    52    58    63    67    39    40    43    54    57  
   41    42    44    58    39  
   40    43    45    46    47    54    48    49    50    51    41    52    58    63    64    65    67    68    69  
   43    45    48    58    64    67    68    69  
   42    44    52    53    58    57    59  
   44    52    57  
   45    46    47    54    55    56    48    49    50    51    58    64    67    68    69  
   52    53    58    63    54    57    59    60    61    62  
   46    47    54    55    56    48    49    50    51    52    58    63    67  
   47    54    55    56    48    58  
   54    55    56    48    58  
   49    50    51    54    67  
   50    51  
   51  
    0  
   53    58    63    64    73    54    55    56    57    59  
   58    63    54    57  
   55    56    58    63    64    73  
   56    58    63  
   58    63  
   59    60    61    62    58  
   63    64    65    72    73    75    67  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    70    72    73    75    76    74    67    68    69  
   65    66    70    71    72    73    75    67    68    69  
   66    70    71    72    73    74    67    68    69  
   70    71    72    67  
   68    69    70    73  
   69  
    0  
   71    72    73    75    74    77  
   72    73    74  
   73    75    76    74    77    78    79    80  
   75    76    74    77  
   77    78    79    80    75  
   76  
    0  
   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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    52   549.000  1.340
   44    57   440.000  1.360
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    63   317.000  1.510
   58    54   268.000  1.529
   63    64   469.000  1.400
   63    73   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   450.000  1.364
   75    76   553.000  0.945
   74    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    45   382.000  1.448
   43    48   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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  112.20000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    58    52    70.00000  112.02700
   33    58    63    70.00000  112.17500
   33    58    54    58.35000  112.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    44    52    70.00000  117.34000
   41    44    57    80.00000  120.01400
   44    41    42    65.00000  137.10300
   44    52    53    35.00000  120.00000
   44    52    58    70.00000  124.00000
   44    57    59    90.00000  111.18400
   52    58    63    70.00000  112.99600
   52    58    54    70.00000  112.02700
   58    33    37    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    63    64    70.00000  120.00000
   58    63    73    70.00000  120.00000
   58    54    45    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   63    64    65    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    73    72    63.00000  120.00000
   63    73    75    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    70    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    39    70.00000  112.17500
   65    70    71    35.00000  120.00000
   65    70    72    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    70.00000  120.00000
   72    74    77    75.00000  111.00000
   73    63    64    63.00000  120.00000
   73    75    76    35.00000  113.00000
   74    72    73    70.00000  120.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   67    64    65    70.00000  120.00000
   67    39    40    37.50000  110.70000
   67    39    43    56.20000  109.47000
   69    67    68    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    58    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    43    45    51.80000  107.20000
   39    43    48    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    54    56.20000  109.47000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   47    45    46    33.00000  107.80000
   54    58    63    70.00000  112.17500
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   56    54    55    33.00000  107.80000
   48    43    45    51.80000  107.20000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   57    44    52    80.00000  120.01400
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    58    52   0.56750  1.0 1.0
   29    33    58    52  -0.07550 -1.0 2.0
   29    33    58    52   0.20000  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
   29    33    58    54   0.44750  1.0 1.0
   29    33    58    54  -0.17800 -1.0 2.0
   29    33    58    54   0.20200  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    58    63    64   0.04150 -1.0 2.0
   33    58    63    73   0.04150 -1.0 2.0
   33    58    54    45   0.56750  1.0 1.0
   33    58    54    45  -0.07550 -1.0 2.0
   33    58    54    45   0.20000  1.0 3.0
   33    58    54    55   0.15000  1.0 3.0
   33    58    54    56   0.15000  1.0 3.0
   33    39   -43    45   0.23450  1.0 1.0
   33    39   -43    45   0.02050 -1.0 2.0
   33    39   -43    45   0.25250  1.0 3.0
   33    39    43    48   0.58650  1.0 1.0
   33    39    43    48   0.12600 -1.0 2.0
   33    39    43    48   0.33350  1.0 3.0
   37    33    58    52   0.31000  1.0 1.0
   37    33    58    52   0.14700 -1.0 2.0
   37    33    58    52   0.07550  1.0 3.0
   37    33    58    63   0.21200  1.0 1.0
   37    33    58    63   0.16900 -1.0 2.0
   37    33    58    63  -1.15100  1.0 3.0
   37    33    58    54   0.34400  1.0 1.0
   37    33    58    54   0.09450 -1.0 2.0
   37    33    58    54   0.11100  1.0 3.0
   37    33    39    67   0.34400  1.0 1.0
   37    33    39    67   0.09450 -1.0 2.0
   37    33    39    67   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.59950  1.0 1.0
   37    33    39    43  -0.21400 -1.0 2.0
   37    33    39    43   0.56200  1.0 3.0
   37    41   -44    52   7.00000 -1.0 2.0
   37    41    44    57   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    44    52    53   7.00000 -1.0 2.0
   41    44    52    58   7.00000 -1.0 2.0
   41    44    57    59  -2.26850  1.0 1.0
   41    44    57    59   3.39050 -1.0 2.0
   42    41    44    52   7.00000 -1.0 2.0
   42    41    44    57   7.00000 -1.0 2.0
   44    52   -58    33   0.09850  1.0 1.0
   44    52   -58    33   0.15250 -1.0 2.0
   44    52   -58    33  -0.50650  1.0 3.0
   44    52    58    63   1.44450  1.0 1.0
   44    52    58    63   0.06600 -1.0 2.0
   44    52    58    63   0.29250  1.0 3.0
   44    52    58    54   0.09850  1.0 1.0
   44    52    58    54   0.15250 -1.0 2.0
   44    52    58    54  -0.50650  1.0 3.0
   44    57    59    60   0.08050  1.0 3.0
   44    57    59    61   0.08050  1.0 3.0
   44    57    59    62   0.08050  1.0 3.0
   52    44    57    59  -2.26850  1.0 1.0
   52    44    57    59   3.39050 -1.0 2.0
   52    58    63    64   0.18050 -1.0 2.0
   52    58    63    73   0.18050 -1.0 2.0
   52    58    54    45   0.34400  1.0 1.0
   52    58    54    45   0.09450 -1.0 2.0
   52    58    54    45   0.11100  1.0 3.0
   52    58    54    55   0.15000  1.0 3.0
   52    58    54    56   0.15000  1.0 3.0
   53    52    58    33   0.00000  1.0 1.0
   53    52    58    63   0.00000  1.0 1.0
   53    52    58    54   0.00000  1.0 1.0
   58    33    37    38   0.00000  1.0 1.0
   58    33   -37    41   0.09850  1.0 1.0
   58    33   -37    41   0.15250 -1.0 2.0
   58    33   -37    41  -0.50650  1.0 3.0
   58    33    39    67   0.56750  1.0 1.0
   58    33    39    67  -0.07550 -1.0 2.0
   58    33    39    67   0.20000  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    43   1.53400  1.0 1.0
   58    33    39    43  -0.09950 -1.0 2.0
   58    33    39    43   0.05700  1.0 3.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63   -64    67   3.62500 -1.0 2.0
   58    63    73    72   3.62500 -1.0 2.0
   58    63    73    75   3.62500 -1.0 2.0
   63    58    54    45  -0.03700  1.0 1.0
   63    58    54    45   0.37200 -1.0 2.0
   63    58    54    45  -0.47300  1.0 3.0
   63    58    54    55   0.43200  1.0 3.0
   63    58    54    56   0.43200  1.0 3.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    67    68   0.00000  1.0 1.0
   63    64    67    69   0.00000  1.0 1.0
   63    64    67    39   0.04150 -1.0 2.0
   63    73    75    76   0.84100 -1.0 2.0
   64    63    73    72   3.62500 -1.0 2.0
   64    63    73    75   3.62500 -1.0 2.0
   64    65    70    71   3.62500 -1.0 2.0
   64    65   -70    72   3.62500 -1.0 2.0
   64    67   -39    33  -0.03700  1.0 1.0
   64    67   -39    33   0.37200 -1.0 2.0
   64    67   -39    33  -0.47300  1.0 3.0
   64    67    39    40   0.43200  1.0 3.0
   64    67    39    43   0.83750  1.0 1.0
   64    67    39    43   0.32200 -1.0 2.0
   64    67    39    43   0.70600  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    39   0.04150 -1.0 2.0
   65    70    72    73   3.62500 -1.0 2.0
   65    70    72    74   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   66    65    70    72   3.62500 -1.0 2.0
   70    72   -73    63   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    74    77   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73    75    76   0.84100 -1.0 2.0
   72    74    77    78   0.08050  1.0 3.0
   72    74    77    79   0.08050  1.0 3.0
   72    74    77    80   0.08050  1.0 3.0
   73    63   -64    65   3.62500 -1.0 2.0
   73    63    64    67   3.62500 -1.0 2.0
   73    72    74    77   1.63200 -1.0 2.0
   74    72    73    63   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    70   3.62500 -1.0 2.0
   67    39    43    45   0.23450  1.0 1.0
   67    39    43    45   0.02050 -1.0 2.0
   67    39    43    45   0.25250  1.0 3.0
   67    39    43    48   0.58650  1.0 1.0
   67    39    43    48   0.12600 -1.0 2.0
   67    39    43    48   0.33350  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.15000  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    39    43   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    58    52   0.34400  1.0 1.0
   39    33    58    52   0.09450 -1.0 2.0
   39    33    58    52   0.11100  1.0 3.0
   39    33   -58    63  -0.03700  1.0 1.0
   39    33   -58    63   0.37200 -1.0 2.0
   39    33   -58    63  -0.47300  1.0 3.0
   39    33    58    54   0.56750  1.0 1.0
   39    33    58    54  -0.07550 -1.0 2.0
   39    33    58    54   0.20000  1.0 3.0
   39    43    45    46   0.28000  1.0 3.0
   39    43    45    47   0.28000  1.0 3.0
   39    43   -45    54   0.23450  1.0 1.0
   39    43   -45    54   0.02050 -1.0 2.0
   39    43   -45    54   0.25250  1.0 3.0
   39    43    48    49   0.28000  1.0 3.0
   39    43    48    50   0.28000  1.0 3.0
   39    43    48    51   0.28000  1.0 3.0
   40    39    43    45   0.28000  1.0 3.0
   40    39    43    48   0.28000  1.0 3.0
   43    45   -54    58   1.53400  1.0 1.0
   43    45   -54    58  -0.09950 -1.0 2.0
   43    45   -54    58   0.05700  1.0 3.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   0.15000  1.0 3.0
   45    43    48    49   0.28000  1.0 3.0
   45    43    48    50   0.28000  1.0 3.0
   45    43    48    51   0.28000  1.0 3.0
   46    45    54    58   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   47    45    54    58   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    56   0.15000  1.0 3.0
   54    58    63    64   0.04150 -1.0 2.0
   54    58    63    73   0.04150 -1.0 2.0
   48    43    45    46   0.28000  1.0 3.0
   48    43    45    47   0.28000  1.0 3.0
   48    43    45    54   0.58650  1.0 1.0
   48    43    45    54   0.12600 -1.0 2.0
   48    43    45    54   0.33350  1.0 3.0
   57    44    52    53   7.00000 -1.0 2.0
   57    44    52    58   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    57    44    52   1.10000 -1.0 2.0
   58    53    52    44   1.10000 -1.0 2.0
   64    73    63    58   4.00000 -1.0 2.0
   65    67    64    63   4.00000 -1.0 2.0
   70    66    65    64   1.10000 -1.0 2.0
   72    71    70    65   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   72    75    73    63   4.00000 -1.0 2.0
END
