* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    162    236     473
    1     0 S   NP   _N1_     1    28.66422    94.80690   -20.79607
    2     1 S   H    _HN1     2     1.02964    91.27479    43.77064
    3     1 S   H    _H1_     3     1.02835    31.22884   165.63744
    4     1 S   H    _H2_     4     1.02778    88.36056   -64.52963
    5     1 S   CT   _CA1     5     1.50130   141.92284   170.16893
    6     5 S   HC   _HA1     6     1.09578   105.21229    56.57185
    7     5 S   CO3  _C1_     7     1.53752   112.45608   -63.52850
    8     7 S   O2Z  _O11     8     1.26354   115.03723   -42.05118
    9     7 S   O2Z  _O12     9     1.26238   114.93873   137.26958
   10     5 S   CT   _CB1    10     1.53108   107.40271   174.40493
   11    10 S   HC   HB11    11     1.09814   109.17564   -51.25432
   12    10 S   HC   HB12    12     1.09824   110.44851    65.23048
   13    10 S   CT   _CG1    13     1.53007   112.77176  -172.48647
   14    13 S   HC   HG11    14     1.09545   110.32325   -64.18694
   15    13 S   HC   HG12    15     1.09644   110.11751    54.89983
   16    13 S   C    _CD1    16     1.51838   112.31005   174.86512
   17    16 S   O    _OE1    17     1.22729   123.18838   -11.66192
   18    16 S   N    _N2_    18     1.38592   111.70588   169.45717
   19    18 S   H    _HN2    19     1.01598   118.97505    -0.50937
   20    18 S   CT1  _CA2    20     1.46260   123.49476   179.04468
   21    20 S   HC   _HA2    21     1.09739   109.30067   -16.83731
   22    20 S   C    _C2_    22     1.53496   108.04433  -132.37169
   23    22 S   O    _O2_    23     1.23004   122.33163  -145.31486
   24    20 S   CT   _CB2    32     1.53460   111.58933   105.54927
   25    24 S   HC   HB21    33     1.09524   109.55914    53.00769
   26    24 S   HC   HB22    34     1.09406   110.05529   171.79211
   27    22 S   N    _N3_    24     1.38532   113.26710    41.96971
   28    27 S   H    _HN3    25     1.01537   118.89706    -0.70665
   29    24 S   S    _SG2    35     1.82861   111.75866   -68.86630
   30    27 S   CT   _CA3    26     1.45466   123.58871   175.27528
   31    30 S   HC   HA31    27     1.09513   109.40910    20.47781
   32    30 S   HC   HA32    28     1.09501   107.06336   137.50916
   33    29 S   CT   _C14    36     1.85515   100.52637   154.01475
   34    33 S   HC   _H7_    37     1.09522   105.88839   -37.53027
   35    30 S   CO3  _C3_    29     1.52924   113.05945  -103.12745
   36    35 S   O2Z  _O31    30     1.26409   115.40000   -44.14230
   37    35 S   O2Z  _O32    31     1.26354   114.98834   136.79657
   38    33 S   CT   _C13    38     1.54586   110.45414  -155.19579
   39    38 S   HC   _H6_    39     1.10007   108.30926   173.90378
   40    38 S   CT   _C12    40     1.53752   111.88611   -68.58270
   41    40 S   HC   _H19    41     1.09773   110.45769    68.47887
   42    40 S   HC   _H20    42     1.09845   109.36546  -175.81999
   43    38 S   CO4  _C15    78     1.52505   112.95476    57.71889
   44    43 S   O    _O34    79     1.22400   124.66345  -125.41696
   45    40 S   CT   _C11    43     1.52790   111.72634   -54.72917
   46    45 S   HC   _H5_    44     1.09704   109.60226   -72.00456
   47    43 S   OS   _O35    80     1.36465   109.78244    56.15717
   48    45 S   CT   _C10    45     1.54103   113.70486    51.79032
   49    48 S   HC   _H4_    46     1.09727   110.05578    70.10501
   50    45 S   NP   _N4_    74     1.49296   107.84222   173.61647
   51    50 S   H    _H26    75     1.02866   111.83262    55.98431
   52    50 S   H    _H27    76     1.02953   111.78115   -64.75070
   53    50 S   H    _H28    77     1.02868   111.27142   175.87170
   54    47 S   CT   _C16    81     1.43509   115.54016  -179.48414
   55    54 S   HC   _H21    82     1.09518   109.24484   -66.34455
   56    54 S   HC   _H22    83     1.09489   109.71181    53.92310
   57    33 S   CT   _C9_    47     1.54783   113.33565    81.75828
   58    57 S   HC   _H3_    48     1.09945   107.77203  -174.28217
   59    48 S   N    _N5_    66     1.47015   110.19272  -172.44763
   60    59 S   H    _H29    67     1.01584   117.80782    83.93289
   61    54 S   CT   _C17    84     1.51528   108.11857   173.84397
   62    61 S   HC   _H23    85     1.09512   110.54518   -60.09624
   63    61 S   HC   _H24    86     1.09498   110.63874    58.12488
   64    61 S   HC   _H25    87     1.09321   110.96365   179.02622
   65    57 S   OS   _O33    49     1.43069   109.59583   -54.74659
   66    59 S   C    _C18    68     1.38286   123.31368   -94.89145
   67    66 S   O    _O36    69     1.22829   125.03309     3.19978
   68    65 S   CT   _C6_    50     1.43367   115.70595  -119.05317
   69    68 S   HC   _H13    51     1.09728   109.43325   -45.63573
   70    66 S   CT   _C19    70     1.50492   113.10064  -179.07254
   71    70 S   HC   _H30    71     1.09351   109.28549   147.06986
   72    70 S   HC   _H31    72     1.09318   109.07484   -93.19555
   73    70 S   HC   _H32    73     1.09354   111.41053    27.37167
   74    68 S   CT   _C5_    52     1.53766   106.88769  -163.19225
   75    74 S   HC   _H11    53     1.09696   109.71958   -61.09899
   76    74 S   HC   _H12    54     1.09468   110.53012  -179.68596
   77    68 S   CT   _C7_    59     1.53864   109.80305    75.39402
   78    77 S   HC   _H14    60     1.09575   109.62591   -56.79176
   79    77 S   HC   _H15    61     1.09697   109.79000    58.59424
   80    74 S   CT   _C4_    55     1.52424   112.49737    59.27219
   81    80 S   HC   _H8_    56     1.09418   110.83202    59.01881
   82    80 S   HC   _H9_    57     1.09467   110.07164   178.41526
   83    80 S   HC   _H10    58     1.09433   111.57729   -61.99883
   84    77 S   CT   _C8_    62     1.52064   113.96036  -177.93398
   85    84 S   HC   _H16    63     1.09358   111.67847   -67.74430
   86    84 S   HC   _H17    64     1.09445   111.03963    53.65982
   87    84 S   HC   _H18    65     1.09491   109.98086   173.13884
  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
  17   8   2   1   1  15   8  15   6   5   8   2  13   8   7  14
   7   5   2   1   1   6   5   4   9   3   8   3   3   2   1   1
  10   5   4  15   8   3   2   1   1  10   6   5   7   5   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    65    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    57    58    65    68    59    43    44    47  
   38    39    40    48    57    58    65    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    48    57    58    65    50    43    44    47    54  
   40    41    42    45    57    43    44    47  
   41    42    45    46    48    49    57    59    50    51    52    53    43    44    47  
   42    45    46    48    50    43  
   45    46    48    50    43  
   44    47    54    55    56    61    45    57  
   47    54  
   46    48    49    57    58    65    59    60    66    50    51    52    53  
   48    49    57    59    50    51    52    53  
   54    55    56    61    62    63    64  
   49    57    58    65    68    59    60    66    67    70    50    51    52    53  
   57    58    65    59    60    66    50  
   51    52    53    57    59  
   52    53  
   53  
    0  
   55    56    61    62    63    64  
   56    61    62    63    64  
   61    62    63    64  
   58    65    68    69    74    77    59    60    66  
   65    68    59  
   60    66    67    70    71    72    73    65  
   66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   68    69    74    75    76    80    77    78    79    84  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    80    81    82    83    77    78    79    84    85    86    87  
   74    75    76    80    77    78    79    84  
   71    72    73  
   72    73  
   73  
    0  
   75    76    80    81    82    83    77    78    79    84  
   76    80    81    82    83    77  
   80    81    82    83    77  
   78    79    84    85    86    87    80  
   79    84    85    86    87  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   367.000  1.471
   48    49   340.000  1.090
   48    57   268.000  1.529
   48    59   337.000  1.449
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   59    60   434.000  1.010
   59    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   50    51   434.000  1.010
   50    52   434.000  1.010
   50    53   434.000  1.010
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    48    58.35000  112.70000
   40    45    50    80.00000  111.20000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    57    58.35000  112.70000
   45    48    59    70.00000  110.72300
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   48    45    46    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    65    50.00000  109.50000
   48    59    60    38.00000  118.40000
   48    59    66    50.00000  121.90000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    65    68    60.00000  109.50000
   65    57    58    35.00000  109.50000
   65    68    69    35.00000  109.50000
   65    68    74    50.00000  109.50000
   65    68    77    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    84    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   59    48    49    35.00000  109.50000
   59    48    57    70.00000  110.72300
   59    66    67    80.00000  122.90000
   59    66    70    70.00000  116.60000
   66    59    60    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    48    80.00000  111.20000
   52    50    51    35.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    63.00000  111.10000
   43    47    54    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    61    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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   0.01700  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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    65   0.56750  1.0 1.0
   29    33    57    65  -0.07550 -1.0 2.0
   29    33    57    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   33    57    65    68   0.06250  1.0 1.0
   33    57    65    68  -0.01100 -1.0 2.0
   33    57    65    68   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    57    48   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    65   0.23400  1.0 3.0
   38    33    57    48   0.56750  1.0 1.0
   38    33    57    48  -0.07550 -1.0 2.0
   38    33    57    48   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    65   0.62750  1.0 1.0
   38    33    57    65  -0.30950 -1.0 2.0
   38    33    57    65   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   38    40    45    50   1.36600  1.0 1.0
   38    40    45    50  -0.11450 -1.0 2.0
   38    40    45    50   0.24250  1.0 3.0
   38    43    47    54   1.63150  1.0 1.0
   38    43    47    54   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   40    38    43    44   0.30150 -1.0 2.0
   40    38    43    47   0.36750  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    57   0.56750  1.0 1.0
   40    45    48    57  -0.07550 -1.0 2.0
   40    45    48    57   0.20000  1.0 3.0
   40    45    48    59  -0.27100  1.0 1.0
   40    45    48    59  -0.01700 -1.0 2.0
   40    45    48    59  -0.48600  1.0 3.0
   40    45    50    51   0.17350  1.0 3.0
   40    45    50    52   0.17350  1.0 3.0
   40    45    50    53   0.17350  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    45    50   0.19200  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   42    40    45    50   0.19200  1.0 3.0
   45    48   -57    33   0.56750  1.0 1.0
   45    48   -57    33  -0.07550 -1.0 2.0
   45    48   -57    33   0.20000  1.0 3.0
   45    48    57    58   0.15000  1.0 3.0
   45    48    57    65   0.62750  1.0 1.0
   45    48    57    65  -0.30950 -1.0 2.0
   45    48    57    65   0.27300  1.0 3.0
   45    48    59    60   0.00000  1.0 1.0
   45    48    59    66  -0.43950  1.0 1.0
   45    48    59    66  -0.08100 -1.0 2.0
   45    48    59    66   0.03350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45    48    59   0.15000  1.0 3.0
   46    45    50    51   0.13050  1.0 3.0
   46    45    50    52   0.13050  1.0 3.0
   46    45    50    53   0.13050  1.0 3.0
   48    45    50    51   0.17350  1.0 3.0
   48    45    50    52   0.17350  1.0 3.0
   48    45    50    53   0.17350  1.0 3.0
   48    57    65    68   0.06250  1.0 1.0
   48    57    65    68  -0.01100 -1.0 2.0
   48    57    65    68   0.28050  1.0 3.0
   48    59    66    67   3.04450 -1.0 2.0
   48    59    66    70   1.49850  1.0 1.0
   48    59    66    70   1.53950 -1.0 2.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    65   0.23400  1.0 3.0
   49    48    59    60   0.00000  1.0 1.0
   49    48    59    66   0.00000  1.0 1.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    43  -0.95700  1.0 1.0
   57    33    38    43  -0.18200 -1.0 2.0
   57    33    38    43   0.29450  1.0 3.0
   57    48    59    60   0.00000  1.0 1.0
   57    48    59    66  -0.43950  1.0 1.0
   57    48    59    66  -0.08100 -1.0 2.0
   57    48    59    66   0.03350  1.0 3.0
   57    65    68    69   0.37050  1.0 3.0
   57    65    68    74   0.06250  1.0 1.0
   57    65    68    74  -0.01100 -1.0 2.0
   57    65    68    74   0.28050  1.0 3.0
   57    65    68    77   0.06250  1.0 1.0
   57    65    68    77  -0.01100 -1.0 2.0
   57    65    68    77   0.28050  1.0 3.0
   58    57    65    68   0.37050  1.0 3.0
   65    68    74    75   0.23400  1.0 3.0
   65    68    74    76   0.23400  1.0 3.0
   65    68    74    80   0.62750  1.0 1.0
   65    68    74    80  -0.30950 -1.0 2.0
   65    68    74    80   0.27300  1.0 3.0
   65    68    77    78   0.23400  1.0 3.0
   65    68    77    79   0.23400  1.0 3.0
   65    68    77    84   0.62750  1.0 1.0
   65    68    77    84  -0.30950 -1.0 2.0
   65    68    77    84   0.27300  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    83   0.15000  1.0 3.0
   68    77    84    85   0.15000  1.0 3.0
   68    77    84    86   0.15000  1.0 3.0
   68    77    84    87   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79   0.15000  1.0 3.0
   69    68    77    84   0.15000  1.0 3.0
   74    68    77    78   0.15000  1.0 3.0
   74    68    77    79   0.15000  1.0 3.0
   74    68    77    84   0.56750  1.0 1.0
   74    68    77    84  -0.07550 -1.0 2.0
   74    68    77    84   0.20000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    80   0.56750  1.0 1.0
   77    68    74    80  -0.07550 -1.0 2.0
   77    68    74    80   0.20000  1.0 3.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    87   0.15000  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    84    87   0.15000  1.0 3.0
   59    48    57    33  -0.27100  1.0 1.0
   59    48    57    33  -0.01700 -1.0 2.0
   59    48    57    33  -0.48600  1.0 3.0
   59    48    57    58   0.15000  1.0 3.0
   59    48    57    65   1.12100  1.0 1.0
   59    48    57    65  -0.16500 -1.0 2.0
   59    66    70    71   0.00000  1.0 1.0
   59    66    70    72   0.00000  1.0 1.0
   59    66    70    73   0.00000  1.0 1.0
   60    59    66    67   2.45000 -1.0 2.0
   60    59    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   50    45    48    49   0.19200  1.0 3.0
   50    45    48    57   1.36600  1.0 1.0
   50    45    48    57  -0.11450 -1.0 2.0
   50    45    48    57   0.24250  1.0 3.0
   50    45    48    59   3.05550  1.0 1.0
   50    45    48    59   2.44300 -1.0 2.0
   50    45    48    59   0.51100  1.0 3.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    45  -0.95700  1.0 1.0
   43    38    40    45  -0.18200 -1.0 2.0
   43    38    40    45   0.29450  1.0 3.0
   43    47    54    55   0.08050  1.0 3.0
   43    47    54    56   0.08050  1.0 3.0
   43    47    54    61  -0.25900  1.0 1.0
   43    47    54    61  -0.47000 -1.0 2.0
   43    47    54    61   0.11750  1.0 3.0
   44    43    47    54   3.00000 -1.0 2.0
   47    54    61    62   0.23400  1.0 3.0
   47    54    61    63   0.23400  1.0 3.0
   47    54    61    64   0.23400  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   60    66    59    48   1.00000 -1.0 2.0
   59    70    66    67  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
