* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    150    241     433
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02070    81.04860    53.67933
    3     1 S   H    _H1_     3     1.02136    35.52541  -165.22838
    4     1 S   H    _H2_     4     1.02073    97.96794   -54.18075
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C19    36     1.84820    97.78822  -178.16357
   34    33 S   HC   _H3_    37     1.08341   105.58875   -40.20225
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C5B  _C20    38     1.50615   110.71485  -160.01273
   39    33 S   CM   _C16    69     1.50569   107.86748    72.43410
   40    38 S   C56B _C23    39     1.47161   121.96184    59.69192
   41    38 S   C5A  _C21    51     1.35275   134.97926  -124.96576
   42    39 S   CMA  _C17    70     1.34178   124.24712  -122.93244
   43    42 S   OM   _O35    71     1.27131   124.43708   178.32860
   44    40 S   CA   _C24    40     1.45367   133.27033     3.22027
   45    44 S   HA   _H17    41     1.08556   119.49020    -0.23239
   46    41 S   CM   _C6_    52     1.44997   134.07171    -3.24854
   47    42 S   OS   _O36    72     1.42220   110.00888    -1.56898
   48    44 S   CA   _C25    42     1.34611   119.71200   179.77100
   49    48 S   HA   _H18    43     1.08440   121.23837   179.61386
   50    46 S   CM   _C7_    53     1.34234   129.76935    47.40762
   51    50 S   HC   _H7_    54     1.11606   118.49089   173.06704
   52    47 S   CT   _C18    73     1.42685   116.14515   179.95154
   53    52 S   HC   _H13    74     1.09296   109.54852   180.00000
   54    52 S   HC   _H14    75     1.09282   109.49472    59.24628
   55    52 S   HC   _H15    76     1.09305   109.01135   -60.38473
   56    46 S   CO4  _C5_    77     1.48343   118.26744  -135.58046
   57    56 S   O    _O34    78     1.21664   123.24846  -117.56326
   58    48 S   CA   _C26    44     1.45559   120.50211    -0.51052
   59    58 S   HA   _H19    45     1.08266   118.37758   178.79667
   60    50 S   C5B  _C8_    55     1.42937   128.58685    -7.06153
   61    56 S   OS   _O33    79     1.35438   108.33551    62.43147
   62    58 S   CA   _C27    46     1.34523   120.20967    -1.24458
   63    62 S   HA   _H20    47     1.08438   121.20522  -179.14705
   64    60 S   C56B _C9_    56     1.34540   130.21891   141.48003
   65    60 S   C5A  _C15    68     1.48206   126.18101   -51.38468
   66    61 S   CT   _C4_    80     1.43142   114.97876  -179.98022
   67    66 S   HC   _H4_    81     1.09256   109.45311   180.00000
   68    66 S   HC   _H5_    82     1.09307   109.53961    59.24955
   69    66 S   HC   _H6_    83     1.09218   109.00460   -60.44376
   70    40 S   C56A _C22    48     1.35312   107.46858  -179.47586
   71    64 S   CA   _C10    57     1.45466   129.39663    -7.39515
   72    71 S   HA   _H8_    58     1.08324   120.22824     0.61294
   73    70 S   NA   _N5_    49     1.25754   110.99511    -2.03355
   74    73 S   H    _H16    50     1.02253   127.27378  -179.91607
   75    71 S   CA   _C11    59     1.34731   118.32874  -179.52481
   76    75 S   HA   _H9_    60     1.08387   121.64149   179.96044
   77    75 S   CA   _C12    61     1.45960   119.81181    -0.23070
   78    77 S   HA   _H10    62     1.08379   118.79946   178.08541
   79    77 S   CA   _C13    63     1.45586   122.31139    -1.74001
   80    79 S   HA   _H11    64     1.08307   119.52911  -178.35170
   81    64 S   C56A _C14    65     1.45986   109.57679   171.15336
   82    81 S   NA   _N4_    66     1.38674   106.88475    -1.84653
   83    82 S   H    _H12    67     1.01873   124.48170   179.26992
  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   8   5   4   3
  15   6   2   1   1  15  13  12  12   9   3   8   4  12   5   6
   3  11   4   3   2   1   1   8   2   5   3   9   4   4   2  11
   5   3   2   1   1   2   8   4   1   1   6   3   5   3   4   2
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    41    65    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    44    70    73    41    46    60    82    65    39    42    43    47  
   38    40    41    65    39    42  
   36    37  
   37  
    0  
   40    44    45    48    62    70    73    74    41    46    50    65    39    42    56  
   42    43    47    52    40    41    50    60    64    65    81    82    83  
   44    45    48    49    58    62    63    70    73    74    41    46  
   46    50    51    60    56    57    61    44    62    70    73    74  
   43    47    52    53    54    55    60    65    82  
   47    52    65  
   45    48    49    58    59    62    70    73  
   48    49    58    70  
   50    51    60    64    65    56    57    61    66    70    73    74  
   52    53    54    55    65  
   49    58    59    62    63    70  
   58    59    62  
   51    60    64    71    81    82    65    56    57    61    73  
   60    64    65    56  
   53    54    55  
   54    55  
   55  
    0  
   57    61    66    67    68    69    60    73  
   61    66  
   59    62    63    70    73  
   62    63    70  
   64    71    72    75    79    81    82    83    65  
   66    67    68    69  
   63    70    73    74  
   70    73  
   71    72    75    76    77    79    80    81    82    83    65  
   71    79    81    82    83  
   67    68    69  
   68    69  
   69  
    0  
   73    74  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   82    83  
   83  
    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   0.163400   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   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   74   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
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   295.000  1.494
   33    39   317.000  1.510
   38    40   380.000  1.440
   38    41   520.000  1.370
   40    44   469.000  1.404
   40    70   447.000  1.419
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    73   428.000  1.380
   73    74   434.000  1.010
   73    41   427.000  1.381
   41    46   375.000  1.423
   46    50   549.000  1.340
   46    56   320.000  1.462
   50    51   340.000  1.080
   50    60   320.000  1.460
   60    64   380.000  1.440
   60    65   520.000  1.370
   64    71   469.000  1.404
   64    81   447.000  1.419
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   428.000  1.380
   82    83   434.000  1.010
   82    65   427.000  1.381
   65    39   375.000  1.423
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    55.00000  128.73000
   33    38    41    55.00000  127.77900
   33    39    65    65.00000  118.87000
   33    39    42    70.00000  124.00000
   38    33    34    45.00000  111.11700
   38    40    44    50.00000  134.85500
   38    40    70    80.00000  107.43600
   38    41    73    70.00000  106.30000
   38    41    46    55.00000  128.32000
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   40    70    62    85.00000  122.70000
   40    70    73    70.00000  104.40000
   44    48    49    35.00000  120.00000
   44    48    58    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    58    59    35.00000  120.00000
   48    58    62    63.00000  120.00000
   58    48    49    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    85.00000  120.00000
   62    58    59    35.00000  120.00000
   62    70    73    70.00000  132.80000
   70    40    44    85.00000  116.20000
   70    62    63    35.00000  120.00000
   70    73    74    35.00000  123.10000
   70    73    41    90.00000  107.14200
   73    41    46    70.00000  120.38000
   41    38    40    80.00000  105.82900
   41    73    74    35.00000  120.00000
   41    46    50    55.00000  128.24000
   41    46    56    75.00000  114.44000
   46    50    51    35.00000  120.00000
   46    50    60    60.00000  123.20500
   46    56    57    80.00000  123.72100
   46    56    61    90.00000  111.29400
   50    60    64    60.00000  120.93500
   50    60    65    60.00000  120.93500
   60    50    51    40.00000  117.26300
   60    64    71    50.00000  134.85500
   60    64    81    80.00000  107.43600
   60    65    82    70.00000  106.30000
   60    65    39    55.00000  128.32000
   64    71    72    35.00000  120.00000
   64    71    75    63.00000  120.00000
   64    81    79    85.00000  122.70000
   64    81    82    70.00000  104.40000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    85.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  132.80000
   81    64    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    65    90.00000  107.14200
   82    65    39    70.00000  120.38000
   65    60    64    80.00000  105.82900
   65    82    83    35.00000  120.00000
   65    39    42    55.00000  128.24000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.36000
   39    42    43    65.00000  137.10300
   39    42    47    80.00000  120.01400
   42    47    52    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    50    65.00000  118.96000
   56    61    66    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    39    65   0.09700  1.0 1.0
   29    33    39    65   0.15600 -1.0 2.0
   29    33    39    65  -0.50800  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    40    70   3.62500 -1.0 2.0
   33    38    41    73   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    39    65   0.77000  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    65   0.09700  1.0 1.0
   38    33    39    65   0.15600 -1.0 2.0
   38    33    39    65  -0.50800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    48   3.62500 -1.0 2.0
   38    40    70    62   3.00000 -1.0 2.0
   38    40   -70    73   3.00000 -1.0 2.0
   38    41    46    50   0.15800  1.0 1.0
   38    41    46    50   1.85350 -1.0 2.0
   38    41    46    50  -0.48700  1.0 3.0
   38    41    46    56  -0.01750  1.0 1.0
   38    41    46    56  -0.32000 -1.0 2.0
   38    41    46    56   0.00600  1.0 3.0
   40    38   -41    73   3.62500 -1.0 2.0
   40    38    41    46   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    58   3.62500 -1.0 2.0
   40    70    73    74   1.52500 -1.0 2.0
   40    70   -73    41   3.62500 -1.0 2.0
   44    40    70    62   3.00000 -1.0 2.0
   44    40    70    73   3.00000 -1.0 2.0
   44    48    58    59   3.62500 -1.0 2.0
   44    48   -58    62   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    58   3.62500 -1.0 2.0
   48    58    62    63   3.62500 -1.0 2.0
   48    58    62    70   3.62500 -1.0 2.0
   49    48    58    59   3.62500 -1.0 2.0
   49    48    58    62   3.62500 -1.0 2.0
   58    62   -70    40   3.62500 -1.0 2.0
   58    62    70    73   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    70   3.62500 -1.0 2.0
   62    70    73    74   1.52500 -1.0 2.0
   62    70    73    41   3.62500 -1.0 2.0
   63    62    70    40   3.62500 -1.0 2.0
   63    62    70    73   3.62500 -1.0 2.0
   70    40    44    45   3.50000 -1.0 2.0
   70    40   -44    48   3.50000 -1.0 2.0
   70    73   -41    38   3.62500 -1.0 2.0
   70    73    41    46   3.62500 -1.0 2.0
   73    41    46    50   0.11450  1.0 1.0
   73    41    46    50   1.85100 -1.0 2.0
   73    41    46    50  -0.49050  1.0 3.0
   73    41    46    56  -0.01750  1.0 1.0
   73    41    46    56  -0.32000 -1.0 2.0
   73    41    46    56   0.00600  1.0 3.0
   74    73    41    38   1.40000 -1.0 2.0
   74    73    41    46   2.00000 -1.0 2.0
   41    38    40    44   3.62500 -1.0 2.0
   41    38   -40    70   3.50000 -1.0 2.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    60   7.00000 -1.0 2.0
   41    46    56    57  -0.52200  1.0 1.0
   41    46    56    57   0.82950 -1.0 2.0
   41    46    56    61   1.50000 -1.0 2.0
   46    50    60    64   0.15800  1.0 1.0
   46    50    60    64   1.85350 -1.0 2.0
   46    50    60    64  -0.48700  1.0 3.0
   46    50    60    65   0.15800  1.0 1.0
   46    50    60    65   1.85350 -1.0 2.0
   46    50    60    65  -0.48700  1.0 3.0
   46    56    61    66   2.00000 -1.0 2.0
   50    46    56    57   1.00000 -1.0 2.0
   50    46    56    61  -0.56150  1.0 1.0
   50    46    56    61   2.19150 -1.0 2.0
   50    60    64    71   3.62500 -1.0 2.0
   50    60    64    81   3.62500 -1.0 2.0
   50    60    65    82   3.62500 -1.0 2.0
   50    60    65    39   3.62500 -1.0 2.0
   51    50    60    64   0.56550  1.0 3.0
   51    50    60    65   0.56550  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    75   3.62500 -1.0 2.0
   60    64    81    79   3.00000 -1.0 2.0
   60    64   -81    82   3.00000 -1.0 2.0
   60    65    39    33  -0.02500  1.0 1.0
   60    65    39    33  -0.32150 -1.0 2.0
   60    65    39    33  -0.01500  1.0 3.0
   60    65    39    42   0.15800  1.0 1.0
   60    65    39    42   1.85350 -1.0 2.0
   60    65    39    42  -0.48700  1.0 3.0
   64    60   -65    82   3.62500 -1.0 2.0
   64    60    65    39   3.62500 -1.0 2.0
   64    71    75    76   3.62500 -1.0 2.0
   64    71    75    77   3.62500 -1.0 2.0
   64    81    82    83   1.52500 -1.0 2.0
   64    81   -82    65   3.62500 -1.0 2.0
   71    64    81    79   3.00000 -1.0 2.0
   71    64    81    82   3.00000 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75   -77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    64   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   1.52500 -1.0 2.0
   79    81    82    65   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.50000 -1.0 2.0
   81    64   -71    75   3.50000 -1.0 2.0
   81    82   -65    60   3.62500 -1.0 2.0
   81    82    65    39   3.62500 -1.0 2.0
   82    65    39    33  -0.01750  1.0 1.0
   82    65    39    33  -0.32000 -1.0 2.0
   82    65    39    33   0.00600  1.0 3.0
   82    65    39    42   0.11450  1.0 1.0
   82    65    39    42   1.85100 -1.0 2.0
   82    65    39    42  -0.49050  1.0 3.0
   83    82    65    60   1.40000 -1.0 2.0
   83    82    65    39   2.00000 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60   -64    81   3.50000 -1.0 2.0
   65    39    42    43   7.00000 -1.0 2.0
   65    39    42    47   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    42    47    52  -2.26850  1.0 1.0
   39    42    47    52   3.39050 -1.0 2.0
   42    47    52    53   0.08050  1.0 3.0
   42    47    52    54   0.08050  1.0 3.0
   42    47    52    55   0.08050  1.0 3.0
   43    42    47    52   2.00000 -1.0 2.0
   56    46    50    51   7.00000 -1.0 2.0
   56    46    50    60   7.00000 -1.0 2.0
   56    61    66    67   0.08050  1.0 3.0
   56    61    66    68   0.08050  1.0 3.0
   56    61    66    69   0.08050  1.0 3.0
   57    56    61    66   3.00000 -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
   40    41    38    33   4.00000 -1.0 2.0
   44    70    40    38   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   58    49    48    44   1.10000 -1.0 2.0
   62    59    58    48   1.10000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   62    73    70    40   4.00000 -1.0 2.0
   74    70    73    41   1.00000 -1.0 2.0
   73    46    41    38   4.00000 -1.0 2.0
   41    56    46    50   1.10000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   64    65    60    50   4.00000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   75    72    71    64   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -1.0 2.0
   83    81    82    65   1.00000 -1.0 2.0
   82    39    65    60   4.00000 -1.0 2.0
   33    65    39    42   1.10000 -1.0 2.0
   43    47    42    39   1.10000 -1.0 2.0
   46    61    56    57  10.50000 -1.0 2.0
END
