* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    312     580
    1     0 S   NP   _N1_     1    31.53008    93.22036   -13.65029
    2     1 S   H    _HN1     2     1.03122   129.05580     9.34191
    3     1 S   H    _H1_     3     1.02817    71.40349   106.45754
    4     1 S   H    _H2_     4     1.02791    37.79329   -56.63624
    5     1 S   CT   _CA1     5     1.50048   116.65623  -148.90330
    6     5 S   HC   _HA1     6     1.09561   105.23915   -17.95351
    7     5 S   CO3  _C1_     7     1.53885   112.37993  -138.50369
    8     7 S   O2Z  _O11     8     1.26346   115.21549   -50.63215
    9     7 S   O2Z  _O12     9     1.26224   114.92151   128.64195
   10     5 S   CT   _CB1    10     1.53003   107.52534   100.15543
   11    10 S   HC   HB11    11     1.09832   109.83879   -45.50669
   12    10 S   HC   HB12    12     1.09840   110.31802    70.92330
   13    10 S   CT   _CG1    13     1.53216   112.65977  -166.41976
   14    13 S   HC   HG11    14     1.09425   110.88107   -50.51218
   15    13 S   HC   HG12    15     1.09563   110.64539    68.49829
   16    13 S   C    _CD1    16     1.51552   109.39522  -172.47981
   17    16 S   O    _OE1    17     1.22879   121.70982   -58.73915
   18    16 S   N    _N2_    18     1.38362   113.10101   119.35201
   19    18 S   H    _HN2    19     1.01511   119.63743     6.90751
   20    18 S   CT1  _CA2    20     1.46227   123.12055  -170.70707
   21    20 S   HC   _HA2    21     1.09721   109.35613    -5.36783
   22    20 S   C    _C2_    22     1.53277   109.13690  -121.63553
   23    22 S   O    _O2_    23     1.23038   122.08065  -146.98256
   24    20 S   CT   _CB2    32     1.53591   110.93153   115.89417
   25    24 S   HC   HB21    33     1.09265   109.59775    64.00504
   26    24 S   HC   HB22    34     1.09536   110.40856  -178.22315
   27    22 S   N    _N3_    24     1.38459   113.53883    40.44989
   28    27 S   H    _HN3    25     1.01514   118.95681    -0.42842
   29    24 S   S    _SG2    35     1.82959   111.35228   -58.70428
   30    27 S   CT   _CA3    26     1.45442   123.34092   175.28848
   31    30 S   HC   HA31    27     1.09533   109.10840    26.77948
   32    30 S   HC   HA32    28     1.09494   107.14761   143.73942
   33    29 S   CT   _C16    36     1.85480   100.92171   149.54997
   34    33 S   HC   _H3_    37     1.09704   106.29139    33.52353
   35    30 S   CO3  _C3_    29     1.52928   113.22714   -96.62712
   36    35 S   O2Z  _O31    30     1.26393   115.44807   -44.15125
   37    35 S   O2Z  _O32    31     1.26366   114.96419   136.82879
   38    33 S   CT   _C9_    38     1.55669   107.70589   -84.83230
   39    38 S   HC   _H38    39     1.09774   111.49158   -41.04261
   40    38 S   CO4  _C4_    40     1.52843   109.11113  -159.63382
   41    40 S   O    _O23    41     1.23299   121.05826  -117.07630
   42    38 S   OS   _O30    92     1.42555   109.49587    80.16641
   43    40 S   CT   _C17    42     1.55199   117.18677    60.95980
   44    42 S   CT   _C25    93     1.42327   112.90441  -155.78089
   45    44 S   HC   _H58    94     1.09317   108.20222  -178.00120
   46    44 S   HC   _H59    95     1.09341   110.27075    63.56394
   47    44 S   HC   _H60    96     1.09367   111.27305   -58.73275
   48    43 S   CT   _C10    43     1.57322   106.47227   -17.71540
   49    48 S   HC   _H39    44     1.10004   107.82267    66.73673
   50    43 S   CT   _C22    88     1.54781   104.35081  -136.99847
   51    50 S   HC   _H49    89     1.08881   113.69026   154.23857
   52    50 S   HC   _H50    90     1.09725   111.77520    35.07620
   53    50 S   HC   _H51    91     1.09422   111.67341   -83.11515
   54    48 S   CT   _C7_    45     1.53713   112.14069   179.89165
   55    54 S   HC   _H34    46     1.09246   111.49481    64.17971
   56    54 S   HC   _H35    47     1.09673   109.24752  -178.68985
   57    33 S   CT   _C12    82     1.57342   112.23247   150.75967
   58    57 S   HC   _H41    83     1.09749   105.81600  -147.61504
   59    54 S   CT   _C13    48     1.54630   110.47680   -60.87750
   60    59 S   HC   _H42    49     1.09758   107.67108   177.43052
   61    57 S   CT   _C21    84     1.53172   115.29251   -33.17598
   62    61 S   HC   _H46    85     1.09439   112.36532    73.43603
   63    61 S   HC   _H47    86     1.09537   110.87845   -48.49006
   64    61 S   HC   _H48    87     1.09568   110.43455  -166.59978
   65    59 S   CT   _C18    50     1.54935   113.54246    54.83896
   66    59 S   OS   _O25    64     1.44726   105.15268   -70.40863
   67    43 S   CT   _C11    51     1.56910   112.40019    98.95885
   68    67 S   HC   _H40    52     1.09962   103.41729   -54.28612
   69    65 S   CT   _C23    78     1.56353   105.69904    73.71473
   70    69 S   HC   _H52    79     1.09546   111.72884    75.38464
   71    69 S   HC   _H53    80     1.08970   113.06513   -41.91094
   72    69 S   HC   _H54    81     1.09038   113.66746  -163.49738
   73    67 S   CT   _C14    53     1.53967   117.15605    60.66236
   74    73 S   HC   _H43    54     1.09479   111.43125    67.44732
   75    73 S   CT   _C15    55     1.51614   110.60865  -167.96584
   76    75 S   HC   _H44    56     1.09839   110.30531    61.84423
   77    75 S   CT   _C20    57     1.53205   113.65873   -61.95177
   78    75 S   OS   _O27    73     1.42923   101.61441   173.03832
   79    65 S   CT   _C19    58     1.58649   108.52788  -169.13331
   80    77 S   CT   _C24    67     1.53654   110.15067  -178.29636
   81    80 S   HC   _H55    68     1.09471   111.44329   177.91813
   82    80 S   HC   _H56    69     1.09664   110.77103    60.58531
   83    80 S   HC   _H57    70     1.09391   112.31983   -59.78232
   84    77 S   OH   _O29    71     1.43289   108.72359   -63.12317
   85    84 S   HO   _H62    72     0.97356   107.62464   -52.01096
   86    78 S   CO   _C8_    74     1.44086   102.23466   -37.72854
   87    86 S   HC   _H36    75     1.09396   109.67345  -105.67835
   88    86 S   HC   _H37    76     1.09405   109.09897   134.10221
   89    79 S   CT   _C6_    59     1.53826   110.94252    51.32748
   90    89 S   HC   _H32    60     1.09789   109.25719  -160.19686
   91    89 S   HC   _H33    61     1.09208   111.62828    81.09129
   92    79 S   OH   _O28    65     1.43987   108.12165   -63.92155
   93    92 S   HO   _H61    66     0.97102   109.05939  -178.24520
   94    73 S   OS   _O26    77     1.42567   117.20572   -54.53024
   95    89 S   CO4  _C5_    62     1.49919   117.26502   -40.18822
   96    95 S   O    _O24    63     1.23066   120.51487  -162.54037
  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   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  21   8  16   6   8   3   2   1  12   6  16   7  16   7  13   7
   3   2   1   3   1   3   2   1   6   4   3   2   1   1   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    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    67    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    67    68    73    57    50    51    52    53    42    44  
   43    48    67    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    67    68    73    74    75    79    94    69    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    67    68    73    66    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    67    57    58    61    50  
   51    52    53    54    57    65    67    68    73  
   52    53    67  
   53    67  
   67  
   55    56    59    60    65    67    79    95    66    69    57    58    61  
   56    59    60    65    66    57  
   59    60    65    66    57  
   58    61    62    63    64    59    67  
   61    62    63    64  
   60    65    67    68    73    77    79    89    95    96    66    92    69    70    71    72  
   65    67    79    95    66    69  
   62    63    64  
   63    64  
   64  
    0  
   67    68    73    74    75    77    79    89    90    91    95    66    92    93    80    84    94    69    70    71    72  
   69    67    79    89    90    91    95    96  
   68    73    74    75    76    77    79    89    92    78    86    94    69    70    71    72  
   73    74    75    79    94    69  
   70    71    72    73    77    79    89    92  
   71    72    79  
   72    79  
   79  
   74    75    76    77    79    80    84    78    86    87    88    94  
   75    76    77    78    86    94  
   76    77    79    89    92    80    81    82    83    84    85    78    86    87    88    94  
   77    79    80    84    78    86    94  
   79    89    90    91    95    92    93    80    81    82    83    84    85    78    86    94  
   86    87    88    94    79    80    84  
   89    90    91    95    96    92    93    80    81    82    83    84    85  
   81    82    83    84    85    89    92  
   82    83    84  
   83    84  
   84  
   85    89    92  
    0  
   87    88    94  
   88    94  
   94  
   90    91    95    96    92    93  
   91    95    96    92  
   95    96    92  
   93    95  
    0  
    0  
   96  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    67   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    66   320.000  1.410
   65    67   268.000  1.529
   65    79   268.000  1.529
   65    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    94   320.000  1.410
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    78   320.000  1.410
   77    79   268.000  1.529
   77    80   268.000  1.529
   77    84   320.000  1.410
   79    89   268.000  1.529
   79    92   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    95   317.000  1.522
   95    96   570.000  1.229
   95    66   214.000  1.327
   92    93   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   78    86   320.000  1.380
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    94   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    67    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    67    65    58.35000  112.70000
   43    67    68    37.50000  110.70000
   43    67    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    79    58.35000  112.70000
   59    65    69    58.35000  112.70000
   59    66    95    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    73    58.35000  112.70000
   65    79    77    58.35000  112.70000
   65    79    89    58.35000  112.70000
   65    79    92    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    43    48    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    75    58.35000  112.70000
   67    73    94    50.00000  109.50000
   73    67    68    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    58.35000  112.70000
   73    75    78    50.00000  109.50000
   73    94    86    60.00000  109.50000
   75    73    74    37.50000  110.70000
   75    77    79    58.35000  112.70000
   75    77    80    58.35000  112.70000
   75    77    84    50.00000  109.50000
   75    78    86    60.00000  109.50000
   77    75    76    37.50000  110.70000
   77    79    89    58.35000  112.70000
   77    79    92    50.00000  109.50000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   77    84    85    55.00000  108.50000
   79    65    67    58.35000  112.70000
   79    89    90    37.50000  110.70000
   79    89    91    37.50000  110.70000
   79    89    95    63.00000  111.10000
   79    92    93    55.00000  108.50000
   89    95    96    80.00000  120.40000
   89    95    66    81.00000  111.40000
   91    89    90    33.00000  107.80000
   95    89    90    35.00000  109.50000
   95    89    91    35.00000  109.50000
   66    59    60    35.00000  109.50000
   66    59    65    50.00000  109.50000
   66    95    96    83.00000  123.40000
   92    79    89    50.00000  109.50000
   80    77    79    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    77    79    50.00000  109.50000
   84    77    80    50.00000  109.50000
   78    75    76    35.00000  109.50000
   78    75    77    50.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    94    92.60000  111.55000
   88    86    87    33.00000  109.50000
   94    73    74    35.00000  109.50000
   94    73    75    50.00000  109.50000
   94    86    87    35.00000  109.50000
   94    86    88    35.00000  109.50000
   69    65    67    58.35000  112.70000
   69    65    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    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
   50    43    48    58.35000  112.70000
   50    43    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  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    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    61   0.44750  1.0 1.0
   29    33    57    61  -0.17800 -1.0 2.0
   29    33    57    61   0.20200  1.0 3.0
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   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40  -0.95700  1.0 1.0
   57    33   -38    40  -0.18200 -1.0 2.0
   57    33   -38    40   0.29450  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    54   0.56750  1.0 1.0
   50    43    48    54  -0.07550 -1.0 2.0
   50    43    48    54   0.20000  1.0 3.0
   50    43    48    57   0.56750  1.0 1.0
   50    43    48    57  -0.07550 -1.0 2.0
   50    43    48    57   0.20000  1.0 3.0
   50    43    67    65   0.56750  1.0 1.0
   50    43    67    65  -0.07550 -1.0 2.0
   50    43    67    65   0.20000  1.0 3.0
   50    43    67    68   0.15000  1.0 3.0
   50    43    67    73   0.56750  1.0 1.0
   50    43    67    73  -0.07550 -1.0 2.0
   50    43    67    73   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   89    66    95    96  10.50000 -1.0 2.0
END
