* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    242     467
    1     0 S   NP   _N1_     1    28.84799    93.05422   -24.66910
    2     1 S   H    _HN1     2     1.02778   113.60218   -86.20956
    3     1 S   H    _H1_     3     1.02958    90.28923    23.99385
    4     1 S   H    _H2_     4     1.02833    16.80061  -159.55300
    5     1 S   CT   _CA1     5     1.50123   119.38324   137.72529
    6     5 S   HC   _HA1     6     1.09576   105.22040    75.09180
    7     5 S   CO3  _C1_     7     1.53778   112.38549   -45.09515
    8     7 S   O2Z  _O11     8     1.26360   115.00301   -43.89531
    9     7 S   O2Z  _O12     9     1.26238   114.91771   135.24019
   10     5 S   CT   _CB1    10     1.53089   107.41579  -167.02290
   11    10 S   HC   HB11    11     1.09826   109.29730   -50.85599
   12    10 S   HC   HB12    12     1.09818   110.43096    65.68181
   13    10 S   CT   _CG1    13     1.53013   112.69444  -171.95604
   14    13 S   HC   HG11    14     1.09595   110.46167   -64.52533
   15    13 S   HC   HG12    15     1.09656   109.95886    54.70104
   16    13 S   C    _CD1    16     1.51827   112.30402   175.02776
   17    16 S   O    _OE1    17     1.22726   123.25235    -0.74441
   18    16 S   N    _N2_    18     1.38631   111.65202   179.47437
   19    18 S   H    _HN2    19     1.01583   119.04262     0.93167
   20    18 S   CT1  _CA2    20     1.46189   123.38309   179.46771
   21    20 S   HC   _HA2    21     1.09730   109.38010    -5.10722
   22    20 S   C    _C2_    22     1.53531   108.58509  -120.74387
   23    22 S   O    _O2_    23     1.23038   122.15837  -147.32185
   24    20 S   CT   _CB2    32     1.53341   111.57867   116.87818
   25    24 S   HC   HB21    33     1.09578   109.89915    56.25432
   26    24 S   HC   HB22    34     1.09406   110.07863   175.22771
   27    22 S   N    _N3_    24     1.38474   113.56049    40.08240
   28    27 S   H    _HN3    25     1.01505   118.93463    -0.76130
   29    24 S   S    _SG2    35     1.82640   111.93971   -64.36900
   30    27 S   CT   _CA3    26     1.45456   123.57137   175.34575
   31    30 S   HC   HA31    27     1.09513   109.43450    20.83520
   32    30 S   HC   HA32    28     1.09502   107.08219   137.84539
   33    29 S   CT   _C15    36     1.85122    99.39172   178.57880
   34    33 S   HC   _H12    37     1.09582   106.99140   -21.49152
   35    30 S   CO3  _C3_    29     1.52896   112.93920  -102.78574
   36    35 S   O2Z  _O31    30     1.26415   115.31362   -46.93752
   37    35 S   O2Z  _O32    31     1.26342   115.03705   133.95905
   38    33 S   CT   _C14    38     1.54390   108.41575  -139.77999
   39    38 S   HC   _H11    39     1.09808   109.81273   -53.52533
   40    38 S   CT   _C13    40     1.53616   112.05948  -173.98266
   41    40 S   HC   _H10    41     1.09587   110.28810   176.25948
   42    38 S   OH   _O37    83     1.42902   109.79543    64.45159
   43    42 S   HO   _H19    84     0.97203   107.81143   175.14578
   44    40 S   CT   _C12    42     1.53472   110.41457    54.23427
   45    44 S   HC   _H9_    43     1.09719   109.11959    64.10589
   46    40 S   OH   _O38    81     1.42881   109.14064   -68.10754
   47    46 S   HO   _H20    82     0.97340   107.72246   154.06437
   48    44 S   CT   _C11    44     1.53693   112.60971   -56.58310
   49    48 S   HC   _H8_    45     1.09761   109.25928   177.60502
   50    44 S   OH   _O39    79     1.42601   109.83387  -178.80712
   51    50 S   HO   _H21    80     0.97243   107.73812   -58.43958
   52    33 S   CT   _C16    46     1.54402   109.53623    98.69916
   53    52 S   HC   _H13    47     1.09829   109.44563    53.83102
   54    48 S   OS   _O35    50     1.43488   109.04553   -62.63999
   55    52 S   OH   _O36    48     1.42715   110.20830   -63.97905
   56    55 S   HO   _H18    49     0.97238   107.49112   173.28870
   57    54 S   CO   _C10    51     1.43229   114.02974  -133.81302
   58    57 S   HC   _H7_    52     1.09780   109.30577   -47.47234
   59    57 S   CT   _C6_    53     1.54211   107.80871  -166.80171
   60    59 S   HC   _H3_    54     1.09767   109.50004   -51.80476
   61    59 S   CT   _C7_    55     1.53596   110.47680  -172.37229
   62    61 S   HC   _H4_    56     1.09776   109.46489   -70.66770
   63    59 S   N    _N4_    71     1.46766   110.15038    66.15886
   64    63 S   H    _H17    72     1.01524   117.77965    77.60197
   65    61 S   CT   _C8_    57     1.53224   111.43132    50.02781
   66    65 S   HC   _H5_    58     1.09605   109.69951  -175.60988
   67    61 S   OH   _O42    69     1.42721   109.53736   172.26927
   68    67 S   HO   _H26    70     0.97205   107.79704  -174.72916
   69    63 S   C    _C5_    73     1.38317   123.28553   -98.90679
   70    69 S   O    _O33    74     1.22766   125.71705    -2.17942
   71    65 S   CT   _C9_    59     1.53285   109.43383   -53.32037
   72    71 S   HC   _H6_    60     1.09799   110.41592   -60.40751
   73    65 S   OH   _O41    67     1.42903   108.79104    67.46592
   74    73 S   HO   _H25    68     0.97177   108.09027   169.39327
   75    69 S   CT   _C4_    75     1.50485   112.47543   179.44117
   76    75 S   HC   _H14    76     1.09321   109.27127    81.57690
   77    75 S   HC   _H15    77     1.09339   109.55658  -158.60894
   78    75 S   HC   _H16    78     1.09349   110.75755   -38.93654
   79    57 S   OS   _O34    61     1.42987   109.87316    72.22055
   80    71 S   CT   _C17    62     1.52811   112.57260   177.59979
   81    80 S   HC   _H22    63     1.09427   111.06051    49.31161
   82    80 S   HC   _H23    64     1.09476   111.51769   -73.40678
   83    80 S   OH   _O40    65     1.42525   108.93531   167.97221
   84    83 S   HO   _H24    66     0.97245   107.04745   177.75572
  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
  16   8   2   1   1  14   7  13   7   4   1  12   7   3   1  12
   6   3   1   5   3   9   1   1  14   6  15   8  14   7  10   3
  12   7   3   1   5   4   9   6   3   1   3   2   1   1   4   4
   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    55    56    54    46    42    43  
   38    39    40    48    52    53    55    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    55    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    54    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    55    54    57    50    51    46    47  
   48    49    52    54    50    51    46  
   47    48    50  
    0  
   49    52    53    55    56    54    57    58    59    79    50    51  
   52    53    55    54    57    50  
   51    52    54  
    0  
   53    55    56    54    57  
   55    56    54  
   57    58    59    60    61    71    79    63    55  
   56  
    0  
   58    59    60    61    62    65    71    72    79    80    67    63    64    69  
   59    60    61    71    79    63  
   60    61    62    65    66    71    79    73    67    68    63    64    69    70    75  
   61    62    65    79    67    63    64    69  
   62    65    66    71    72    79    80    73    74    67    68    63    64    69  
   65    66    71    73    67    68    63  
   64    69    70    75    76    77    78    65    67    79  
   69    70    75  
   66    71    72    79    80    81    82    83    73    74    67    68  
   71    72    79    80    73    74    67  
   68    71    73  
    0  
   70    75    76    77    78  
   75    76    77    78  
   72    79    80    81    82    83    84    73    74  
   79    80    81    82    83    73  
   74    79    80  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    55   320.000  1.410
   55    56   553.000  0.945
   54    57   320.000  1.380
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    79   320.000  1.380
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   337.000  1.449
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   320.000  1.410
   71    72   340.000  1.090
   71    79   320.000  1.410
   71    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   553.000  0.945
   73    74   553.000  0.945
   67    68   553.000  0.945
   63    64   434.000  1.010
   63    69   490.000  1.335
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    55    50.00000  109.50000
   48    54    57    60.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    55    56    55.00000  108.50000
   55    52    53    35.00000  109.50000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   54    57    58    35.00000  109.50000
   54    57    59    90.00000  108.56700
   54    57    79    92.60000  111.55000
   57    59    60    45.00000  108.72000
   57    59    61    75.00000  109.43000
   57    59    63    70.00000  110.72300
   57    79    71    60.00000  109.50000
   59    57    58    45.00000  112.01100
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    67    50.00000  109.50000
   59    63    64    38.00000  118.40000
   59    63    69    50.00000  121.90000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    71    58.35000  112.70000
   61    65    73    50.00000  109.50000
   61    67    68    55.00000  108.50000
   65    61    62    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    79    50.00000  109.50000
   65    71    80    58.35000  112.70000
   65    73    74    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    80    81    37.50000  110.70000
   71    80    82    37.50000  110.70000
   71    80    83    50.00000  109.50000
   79    57    58    35.00000  109.50000
   79    57    59    90.00000  108.56700
   79    71    72    35.00000  109.50000
   80    71    72    37.50000  110.70000
   80    71    79    50.00000  109.50000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   73    65    66    35.00000  109.50000
   73    65    71    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    65    50.00000  109.50000
   63    59    60    35.00000  109.50000
   63    59    61    70.00000  110.72300
   63    69    70    80.00000  122.90000
   63    69    75    70.00000  116.60000
   69    63    64    35.00000  119.80000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   75    69    70    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    55    56  -0.11600  1.0 1.0
   33    52    55    56  -0.09450 -1.0 2.0
   33    52    55    56   0.21250  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    42   0.23400  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    55   0.86500  1.0 1.0
   38    33    52    55  -0.17500 -1.0 2.0
   38    33    52    55   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    55   0.86500  1.0 1.0
   44    48    52    55  -0.17500 -1.0 2.0
   44    48    52    55   0.20800  1.0 3.0
   44    48    54    57   0.06250  1.0 1.0
   44    48    54    57  -0.01100 -1.0 2.0
   44    48    54    57   0.28050  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    52    55    56  -0.11600  1.0 1.0
   48    52    55    56  -0.09450 -1.0 2.0
   48    52    55    56   0.21250  1.0 3.0
   48    54    57    58   0.37050  1.0 3.0
   48    54    57    59   0.06250  1.0 1.0
   48    54    57    59  -0.01100 -1.0 2.0
   48    54    57    59   0.28050  1.0 3.0
   48    54    57    79  -0.53350  1.0 1.0
   48    54    57    79  -0.78350 -1.0 2.0
   48    54    57    79   0.33750  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.23400  1.0 3.0
   49    48    54    57   0.37050  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    48    54    57   0.06250  1.0 1.0
   52    48    54    57  -0.01100 -1.0 2.0
   52    48    54    57   0.28050  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   54    48    52    33   0.62750  1.0 1.0
   54    48    52    33  -0.30950 -1.0 2.0
   54    48    52    33   0.27300  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    55   3.69350  1.0 1.0
   54    48    52    55  -1.82950 -1.0 2.0
   54    57    59    60   0.23400  1.0 3.0
   54    57    59    61   0.62750  1.0 1.0
   54    57    59    61  -0.30950 -1.0 2.0
   54    57    59    61   0.27300  1.0 3.0
   54    57    59    63   1.12100  1.0 1.0
   54    57    59    63  -0.16500 -1.0 2.0
   54    57    79    71  -0.81800  1.0 1.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   3.97050  1.0 1.0
   57    59    61    67   0.86500  1.0 1.0
   57    59    61    67  -0.17500 -1.0 2.0
   57    59    61    67   0.20800  1.0 3.0
   57    59    63    64   0.00000  1.0 1.0
   57    59    63    69  -0.43950  1.0 1.0
   57    59    63    69  -0.08100 -1.0 2.0
   57    59    63    69   0.03350  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    79    71   0.37050  1.0 3.0
   59    57    79    71   0.06250  1.0 1.0
   59    57    79    71  -0.01100 -1.0 2.0
   59    57    79    71   0.28050  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    71   0.56750  1.0 1.0
   59    61   -65    71  -0.07550 -1.0 2.0
   59    61   -65    71   0.20000  1.0 3.0
   59    61    65    73   0.86500  1.0 1.0
   59    61    65    73  -0.17500 -1.0 2.0
   59    61    65    73   0.20800  1.0 3.0
   59    61    67    68  -0.11600  1.0 1.0
   59    61    67    68  -0.09450 -1.0 2.0
   59    61    67    68   0.21250  1.0 3.0
   59    63    69    70   3.04450 -1.0 2.0
   59    63    69    75   1.49850  1.0 1.0
   59    63    69    75   1.53950 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    69   0.00000  1.0 1.0
   61    59    63    64   0.00000  1.0 1.0
   61    59    63    69  -0.43950  1.0 1.0
   61    59    63    69  -0.08100 -1.0 2.0
   61    59    63    69   0.03350  1.0 3.0
   61    65    71    72   0.15000  1.0 3.0
   61    65    71    79   0.62750  1.0 1.0
   61    65    71    79  -0.30950 -1.0 2.0
   61    65    71    79   0.27300  1.0 3.0
   61    65    71    80   0.56750  1.0 1.0
   61    65    71    80  -0.07550 -1.0 2.0
   61    65    71    80   0.20000  1.0 3.0
   61    65    73    74  -0.11600  1.0 1.0
   61    65    73    74  -0.09450 -1.0 2.0
   61    65    73    74   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    71   0.15000  1.0 3.0
   62    61    65    73   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68  -0.11600  1.0 1.0
   65    61    67    68  -0.09450 -1.0 2.0
   65    61    67    68   0.21250  1.0 3.0
   65    71   -79    57   0.06250  1.0 1.0
   65    71   -79    57  -0.01100 -1.0 2.0
   65    71   -79    57   0.28050  1.0 3.0
   65    71    80    81   0.15000  1.0 3.0
   65    71    80    82   0.15000  1.0 3.0
   65    71    80    83   0.86500  1.0 1.0
   65    71    80    83  -0.17500 -1.0 2.0
   65    71    80    83   0.20800  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    79   0.23400  1.0 3.0
   66    65    71    80   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74  -0.11600  1.0 1.0
   71    65    73    74  -0.09450 -1.0 2.0
   71    65    73    74   0.21250  1.0 3.0
   71    80    83    84  -0.11600  1.0 1.0
   71    80    83    84  -0.09450 -1.0 2.0
   71    80    83    84   0.21250  1.0 3.0
   72    71    79    57   0.37050  1.0 3.0
   72    71    80    81   0.15000  1.0 3.0
   72    71    80    82   0.15000  1.0 3.0
   72    71    80    83   0.23400  1.0 3.0
   79    57    59    60   0.23400  1.0 3.0
   79    57   -59    61   0.62750  1.0 1.0
   79    57   -59    61  -0.30950 -1.0 2.0
   79    57   -59    61   0.27300  1.0 3.0
   79    57    59    63   1.12100  1.0 1.0
   79    57    59    63  -0.16500 -1.0 2.0
   79    71    80    81   0.23400  1.0 3.0
   79    71    80    82   0.23400  1.0 3.0
   79    71    80    83   3.69350  1.0 1.0
   79    71    80    83  -1.82950 -1.0 2.0
   80    71    79    57   0.06250  1.0 1.0
   80    71    79    57  -0.01100 -1.0 2.0
   80    71    79    57   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    79   3.69350  1.0 1.0
   73    65    71    79  -1.82950 -1.0 2.0
   73    65    71    80   0.86500  1.0 1.0
   73    65    71    80  -0.17500 -1.0 2.0
   73    65    71    80   0.20800  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    71   0.86500  1.0 1.0
   67    61    65    71  -0.17500 -1.0 2.0
   67    61    65    71   0.20800  1.0 3.0
   67    61    65    73   3.75450  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    65  -0.27100  1.0 1.0
   63    59    61    65  -0.01700 -1.0 2.0
   63    59    61    65  -0.48600  1.0 3.0
   63    59    61    67   2.76900  1.0 1.0
   63    59    61    67  -0.24350 -1.0 2.0
   63    59    61    67  -0.78250  1.0 3.0
   63    69    75    76   0.00000  1.0 1.0
   63    69    75    77   0.00000  1.0 1.0
   63    69    75    78   0.00000  1.0 1.0
   64    63    69    70   2.45000 -1.0 2.0
   64    63    69    75   2.45000 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    78   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.86500  1.0 1.0
   50    44    48    52  -0.17500 -1.0 2.0
   50    44    48    52   0.20800  1.0 3.0
   50    44    48    54   3.69350  1.0 1.0
   50    44    48    54  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
   64    69    63    59   1.00000 -1.0 2.0
   63    75    69    70  10.50000 -1.0 2.0
END
