* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    238     456
    1     0 S   NP   _N1_     1    29.30842   101.08723   -21.26021
    2     1 S   H    _HN1     2     1.02829    72.93504   178.60240
    3     1 S   H    _H1_     3     1.02785    77.11865   -67.83960
    4     1 S   H    _H2_     4     1.02951    57.17779    54.30549
    5     1 S   CT   _CA1     5     1.50115   167.16316    69.96331
    6     5 S   HC   _HA1     6     1.09575   105.19529   163.64517
    7     5 S   CO3  _C1_     7     1.53786   112.44432    43.42014
    8     7 S   O2Z  _O11     8     1.26371   114.99864   -42.85667
    9     7 S   O2Z  _O12     9     1.26241   114.94382   136.24722
   10     5 S   CT   _CB1    10     1.53084   107.42543   -78.38667
   11    10 S   HC   HB11    11     1.09833   109.36222   -49.85383
   12    10 S   HC   HB12    12     1.09813   110.45582    66.75329
   13    10 S   CT   _CG1    13     1.52990   112.60366  -170.84075
   14    13 S   HC   HG11    14     1.09587   110.61325   -65.66557
   15    13 S   HC   HG12    15     1.09671   109.79849    53.55882
   16    13 S   C    _CD1    16     1.51806   112.24670   173.99766
   17    16 S   O    _OE1    17     1.22732   123.30042     6.38451
   18    16 S   N    _N2_    18     1.38656   111.65355  -173.72155
   19    18 S   H    _HN2    19     1.01585   118.93034     1.62919
   20    18 S   CT1  _CA2    20     1.46173   123.37447   177.55583
   21    20 S   HC   _HA2    21     1.09743   109.37460     1.16902
   22    20 S   C    _C2_    22     1.53508   108.64774  -114.31220
   23    22 S   O    _O2_    23     1.23058   122.26528  -148.06140
   24    20 S   CT   _CB2    32     1.53272   111.60082   123.18490
   25    24 S   HC   HB21    33     1.09590   110.19797    55.79031
   26    24 S   HC   HB22    34     1.09334   110.07623   174.96413
   27    22 S   N    _N3_    24     1.38319   113.67900    39.39491
   28    27 S   H    _HN3    25     1.01595   119.58459    -3.39061
   29    24 S   S    _SG2    35     1.82539   111.52489   -65.03238
   30    27 S   CT   _CA3    26     1.45292   123.20591   177.08395
   31    30 S   HC   HA31    27     1.09550   107.51490   -64.39394
   32    30 S   HC   HA32    28     1.09558   107.97771    52.04257
   33    29 S   CT   _C11    36     1.85832    99.66776  -179.49798
   34    33 S   HC   _H6_    37     1.09473   106.11816   -16.14758
   35    30 S   CO3  _C3_    29     1.52962   114.07980   174.03425
   36    35 S   O2Z  _O31    30     1.26378   116.05918    -0.67115
   37    35 S   O2Z  _O32    31     1.26428   114.41388   179.38834
   38    33 S   CT   _C10    38     1.56096   110.12352  -131.90747
   39    38 S   HC   _H5_    39     1.09804   108.34723   176.61470
   40    38 S   CO4  _C9_    40     1.53412   110.22030   -69.07423
   41    40 S   O    _O34    41     1.22935   123.18935   149.12557
   42    38 S   CT   _C14    79     1.54482   112.82274    57.50572
   43    42 S   HC   _H14    80     1.09726   109.56830    37.50726
   44    42 S   HC   _H15    81     1.09693   110.69224   -80.33673
   45    40 S   CM   _C8_    42     1.48484   118.17270   -33.49121
   46    45 S   HC   _H10    43     1.08344   117.96493  -177.74276
   47    42 S   CM   _C15    82     1.50515   112.60616   156.13094
   48    47 S   HC   _H16    83     1.08715   117.29550   -59.55637
   49    45 S   CM   _C7_    44     1.33687   119.92610     3.49177
   50    47 S   CM   _C16    84     1.33792   124.09153   121.50675
   51    50 S   HC   _H17    85     1.08457   120.54163   179.54072
   52    50 S   HC   _H18    86     1.08468   121.53440    -0.76643
   53    33 S   CT   _C12    45     1.56074   114.51538   104.48866
   54    53 S   CT   _C5_    46     1.54105   118.94506   -39.65460
   55    54 S   HC   _H3_    47     1.09587   110.22303    38.91922
   56    53 S   OS   _O35    74     1.44284   113.50653  -172.12872
   57    54 S   CT   _C6_    48     1.54042   101.51201   153.69812
   58    57 S   HC   _H4_    49     1.09885   110.97075    78.08290
   59    54 S   CT   _C4_    70     1.52332   117.35392   -83.96057
   60    59 S   HC   _H7_    71     1.09447   112.00094   -64.51858
   61    59 S   HC   _H8_    72     1.09536   110.51274   176.11758
   62    59 S   HC   _H9_    73     1.09337   111.09996    57.19607
   63    56 S   CT   _C13    75     1.41913   118.22359    43.51090
   64    63 S   HC   _H11    76     1.09369   107.88586   162.79061
   65    63 S   HC   _H12    77     1.09070   112.80690    43.20193
   66    63 S   HC   _H13    78     1.09269   110.60814   -79.91953
   67    57 S   CA   _C17    50     1.51215   113.97142  -157.41318
   68    49 S   OS   _O33    69     1.38890   120.69699   175.87028
   69    67 S   CA   _C18    51     1.39843   119.95921  -110.83629
   70    69 S   HA   _H19    52     1.08762   120.39753    -0.51282
   71    69 S   CA   _C19    53     1.39669   120.72252   179.37568
   72    71 S   HA   _H20    54     1.08555   117.62786   179.92867
   73    71 S   CA   _C20    55     1.39833   120.42346    -0.17914
   74    73 S   CA   _C21    56     1.40719   119.49235    -0.04423
   75    73 S   OS   _O37    64     1.37345   124.58323  -179.92087
   76    67 S   CA   _C22    57     1.40423   121.26930    68.30129
   77    76 S   HA   _H21    58     1.08643   118.10933     0.75381
   78    74 S   OS   _O36    59     1.37384   115.88032  -179.81129
   79    75 S   CT   _C24    65     1.42220   117.31052    -0.26244
   80    79 S   HC   _H25    66     1.09430   107.73664  -179.83687
   81    79 S   HC   _H26    67     1.09494   111.13854    62.45641
   82    79 S   HC   _H27    68     1.09495   111.15290   -62.12439
   83    78 S   CT   _C23    60     1.42239   117.35505   178.23320
   84    83 S   HC   _H22    61     1.09429   107.73003  -178.91285
   85    83 S   HC   _H23    62     1.09492   111.10917    63.41432
   86    83 S   HC   _H24    63     1.09507   111.19160   -61.19237
  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  10   5   4   3
  19   8   2   1   1  15   8  10   4   9   4   3   7   3   4   3
  10   2   1   1  15  13   9   7  13   5   5   2   1   1   3   2
   1   1  10   2   8   4   7   3  10   9   6   3   1   4   3   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    53    54    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    49    53    54    55    57    68    59    56    63    42    43    44    47  
   38    39    40    49    53    54    56    42  
   36    37  
   37  
    0  
   39    40    41    45    46    49    53    54    56    42    43    44    47    48    50  
   40    41    45    53    42    43    44    47  
   41    45    46    49    53    68    42    43    44    47  
   45    46    49    42  
   43    44    47    48    50    51    52    45    53  
   44    47    48    50  
   47    48    50  
   46    49    53    54    57    68    56  
   49    53    68  
   48    50    51    52  
   50    51    52  
   53    54    55    57    58    67    68    59    56    63  
   51    52  
   52  
    0  
   54    55    57    58    67    68    59    60    61    62    56    63    64    65    66  
   55    57    58    67    69    76    68    59    60    61    62    56    63  
   57    58    67    68    59    60    61    62    56  
   63    64    65    66    57    59    68  
   58    67    69    70    71    74    76    77    68    59    60    61    62  
   67    69    76    68    59  
   60    61    62    67    68  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   69    70    71    72    73    74    76    77    78    68  
   69    76  
   70    71    72    73    74    76    77    75  
   71    72    73    76  
   72    73    74    76    78    75    79  
   73    74    75  
   74    76    77    78    83    75    79    80    81    82  
   76    77    78    83    84    85    86    75    79  
   79    80    81    82    76    78  
   77    78    83  
   78  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    53   317.000  1.510
   49    68   440.000  1.360
   53    54   268.000  1.529
   53    56   320.000  1.410
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    67   317.000  1.510
   57    68   320.000  1.410
   67    69   469.000  1.400
   67    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    78   450.000  1.364
   76    77   367.000  1.080
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   56    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    53    49    70.00000  112.02700
   33    53    54    58.35000  112.70000
   33    53    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    49    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    49    53    70.00000  124.00000
   45    49    68    80.00000  120.01400
   49    45    46    35.00000  120.00000
   49    53    54    70.00000  112.02700
   49    53    56    85.00000  110.90400
   49    68    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    54    55    37.50000  110.70000
   53    54    57    58.35000  112.70000
   53    54    59    58.35000  112.70000
   53    56    63    60.00000  109.50000
   54    57    58    37.50000  110.70000
   54    57    67    70.00000  112.17500
   54    57    68    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    54    55    37.50000  110.70000
   57    67    69    70.00000  120.00000
   57    67    76    70.00000  120.00000
   67    57    58    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   67    76    74    63.00000  120.00000
   67    76    77    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    78    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    77    35.00000  120.00000
   74    78    83    75.00000  111.00000
   76    67    69    63.00000  120.00000
   78    74    76    70.00000  120.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   68    49    53    85.00000  112.85300
   68    57    58    35.00000  109.50000
   68    57    67    85.00000  111.85700
   59    54    55    37.50000  110.70000
   59    54    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   56    53    54    50.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    35.00000  117.00000
   42    47    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    54   0.44750  1.0 1.0
   29    33    53    54  -0.17800 -1.0 2.0
   29    33    53    54   0.20200  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    53    54    55   0.15000  1.0 3.0
   33    53    54    57   0.56750  1.0 1.0
   33    53    54    57  -0.07550 -1.0 2.0
   33    53    54    57   0.20000  1.0 3.0
   33    53    54    59   0.56750  1.0 1.0
   33    53    54    59  -0.07550 -1.0 2.0
   33    53    54    59   0.20000  1.0 3.0
   33    53    56    63   0.06250  1.0 1.0
   33    53    56    63  -0.01100 -1.0 2.0
   33    53    56    63   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    54   0.56750  1.0 1.0
   38    33    53    54  -0.07550 -1.0 2.0
   38    33    53    54   0.20000  1.0 3.0
   38    33    53    56   0.62750  1.0 1.0
   38    33    53    56  -0.30950 -1.0 2.0
   38    33    53    56   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    49  -0.33500  1.0 1.0
   38    40   -45    49   1.06600 -1.0 2.0
   38    40   -45    49  -0.14000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    50   0.09850  1.0 1.0
   38    42    47    50   0.15250 -1.0 2.0
   38    42    47    50  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.98800  1.0 1.0
   40    38    42    47   0.48800 -1.0 2.0
   40    38    42    47   0.76800  1.0 3.0
   40    45    49    53   7.00000 -1.0 2.0
   40    45    49    68   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   1.00000 -1.0 2.0
   45    49   -53    33   0.09850  1.0 1.0
   45    49   -53    33   0.15250 -1.0 2.0
   45    49   -53    33  -0.50650  1.0 3.0
   45    49    53    54   0.09850  1.0 1.0
   45    49    53    54   0.15250 -1.0 2.0
   45    49    53    54  -0.50650  1.0 3.0
   45    49    53    56   0.39000  1.0 1.0
   45    49    53    56  -0.05800 -1.0 2.0
   45    49    53    56  -0.55150  1.0 3.0
   45    49    68    57  -2.26850  1.0 1.0
   45    49    68    57   3.39050 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   46    45    49    68   7.00000 -1.0 2.0
   49    53    54    55   0.15000  1.0 3.0
   49    53   -54    57   0.34400  1.0 1.0
   49    53   -54    57   0.09450 -1.0 2.0
   49    53   -54    57   0.11100  1.0 3.0
   49    53    54    59   0.34400  1.0 1.0
   49    53    54    59   0.09450 -1.0 2.0
   49    53    54    59   0.11100  1.0 3.0
   49    53    56    63  -0.77900  1.0 1.0
   49    53    56    63  -0.36900 -1.0 2.0
   49    53    56    63   0.40400  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40  -0.95700  1.0 1.0
   53    33   -38    40  -0.18200 -1.0 2.0
   53    33   -38    40   0.29450  1.0 3.0
   53    33    38    42   0.56750  1.0 1.0
   53    33    38    42  -0.07550 -1.0 2.0
   53    33    38    42   0.20000  1.0 3.0
   53    49   -68    57   2.00000 -1.0 2.0
   53    54    57    58   0.15000  1.0 3.0
   53    54    57    67  -0.03700  1.0 1.0
   53    54    57    67   0.37200 -1.0 2.0
   53    54    57    67  -0.47300  1.0 3.0
   53    54   -57    68   0.62750  1.0 1.0
   53    54   -57    68  -0.30950 -1.0 2.0
   53    54   -57    68   0.27300  1.0 3.0
   53    54    59    60   0.15000  1.0 3.0
   53    54    59    61   0.15000  1.0 3.0
   53    54    59    62   0.15000  1.0 3.0
   53    56    63    64   0.37050  1.0 3.0
   53    56    63    65   0.37050  1.0 3.0
   53    56    63    66   0.37050  1.0 3.0
   54    53    56    63   0.06250  1.0 1.0
   54    53    56    63  -0.01100 -1.0 2.0
   54    53    56    63   0.28050  1.0 3.0
   54    57    67    69   0.04150 -1.0 2.0
   54    57    67    76   0.04150 -1.0 2.0
   54    57   -68    49  -0.46850  1.0 1.0
   54    57   -68    49   0.09300 -1.0 2.0
   54    57   -68    49  -0.12850  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    67   0.43200  1.0 3.0
   55    54    57    68   0.23400  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   57    54    59    60   0.15000  1.0 3.0
   57    54    59    61   0.15000  1.0 3.0
   57    54    59    62   0.15000  1.0 3.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    71   3.62500 -1.0 2.0
   57    67    76    74   3.62500 -1.0 2.0
   57    67    76    77   3.62500 -1.0 2.0
   58    57    67    69   0.00000  1.0 1.0
   58    57    67    76   0.00000  1.0 1.0
   58    57    68    49   0.08050  1.0 3.0
   67    57    68    49  -0.48150  1.0 1.0
   67    57    68    49   0.09250 -1.0 2.0
   67    57    68    49  -0.12850  1.0 3.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   69    67    76    74   3.62500 -1.0 2.0
   69    67    76    77   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    67   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    78    83   1.63200 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    78    83    84   0.08050  1.0 3.0
   74    78    83    85   0.08050  1.0 3.0
   74    78    83    86   0.08050  1.0 3.0
   76    67    69    70   3.62500 -1.0 2.0
   76    67   -69    71   3.62500 -1.0 2.0
   76    74    78    83   1.63200 -1.0 2.0
   78    74    76    67   3.62500 -1.0 2.0
   78    74    76    77   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    78   3.62500 -1.0 2.0
   68    49    53    33   0.09700  1.0 1.0
   68    49    53    33   0.15600 -1.0 2.0
   68    49    53    33  -0.50800  1.0 3.0
   68    49   -53    54   0.09700  1.0 1.0
   68    49   -53    54   0.15600 -1.0 2.0
   68    49   -53    54  -0.50800  1.0 3.0
   68    49    53    56   0.09700  1.0 1.0
   68    49    53    56   0.15600 -1.0 2.0
   68    49    53    56  -0.50800  1.0 3.0
   68    57    67    69   0.64500  1.0 1.0
   68    57    67    69   0.14800 -1.0 2.0
   68    57    67    69   0.20650  1.0 3.0
   68    57    67    76   0.64500  1.0 1.0
   68    57    67    76   0.14800 -1.0 2.0
   68    57    67    76   0.20650  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    67  -0.03700  1.0 1.0
   59    54    57    67   0.37200 -1.0 2.0
   59    54    57    67  -0.47300  1.0 3.0
   59    54    57    68   0.62750  1.0 1.0
   59    54    57    68  -0.30950 -1.0 2.0
   59    54    57    68   0.27300  1.0 3.0
   56    53    54    55   0.23400  1.0 3.0
   56    53    54    57   0.62750  1.0 1.0
   56    53    54    57  -0.30950 -1.0 2.0
   56    53    54    57   0.27300  1.0 3.0
   56    53    54    59   0.62750  1.0 1.0
   56    53    54    59  -0.30950 -1.0 2.0
   56    53    54    59   0.27300  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    52   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    50   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   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
   36    30    35    37  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   40    46    45    49   1.10000 -1.0 2.0
   53    68    49    45   1.10000 -1.0 2.0
   69    76    67    57   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    78    74    73   4.00000 -1.0 2.0
   74    77    76    67   1.10000 -1.0 2.0
   42    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
