* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    327     592
    1     0 S   NP   _N1_     1    29.02427    94.38281   -25.28153
    2     1 S   H    _HN1     2     1.02787   115.70641  -101.38996
    3     1 S   H    _H1_     3     1.02950    86.10881     7.13663
    4     1 S   H    _H2_     4     1.02828    20.97461  -173.72630
    5     1 S   CT   _CA1     5     1.50116   120.30533   118.54499
    6     5 S   HC   _HA1     6     1.09573   105.18899    80.00432
    7     5 S   CO3  _C1_     7     1.53788   112.45082   -40.22414
    8     7 S   O2Z  _O11     8     1.26374   115.00589   -42.67236
    9     7 S   O2Z  _O12     9     1.26239   114.94789   136.42205
   10     5 S   CT   _CB1    10     1.53075   107.41596  -162.01599
   11    10 S   HC   HB11    11     1.09834   109.37201   -49.61087
   12    10 S   HC   HB12    12     1.09813   110.45312    66.99916
   13    10 S   CT   _CG1    13     1.52992   112.60425  -170.57744
   14    13 S   HC   HG11    14     1.09580   110.64310   -65.83186
   15    13 S   HC   HG12    15     1.09671   109.77472    53.40087
   16    13 S   C    _CD1    16     1.51801   112.19424   173.85998
   17    16 S   O    _OE1    17     1.22738   123.27211     7.71607
   18    16 S   N    _N2_    18     1.38654   111.68768  -172.39563
   19    18 S   H    _HN2    19     1.01577   118.98948     1.52470
   20    18 S   CT1  _CA2    20     1.46195   123.36929   177.42321
   21    20 S   HC   _HA2    21     1.09698   109.18929     3.12036
   22    20 S   C    _C2_    22     1.53607   108.87626  -112.12395
   23    22 S   O    _O2_    23     1.23071   122.26206  -149.78393
   24    20 S   CT   _CB2    32     1.53574   111.66140   125.16067
   25    24 S   HC   HB21    33     1.09516   109.16681    55.06325
   26    24 S   HC   HB22    34     1.09108   109.87303   173.01798
   27    22 S   N    _N3_    24     1.38317   113.77266    37.80507
   28    27 S   H    _HN3    25     1.01576   119.57887    -3.46871
   29    24 S   S    _SG2    35     1.83407   111.14966   -64.34297
   30    27 S   CT   _CA3    26     1.45279   123.22843   177.02902
   31    30 S   HC   HA31    27     1.09549   107.52949   -64.16192
   32    30 S   HC   HA32    28     1.09556   107.96395    52.27397
   33    29 S   CT   _C18    36     1.88849   103.97146  -145.14704
   34    30 S   CO3  _C3_    29     1.52959   114.07795   174.27019
   35    34 S   O2Z  _O31    30     1.26377   116.07895    -0.21306
   36    34 S   O2Z  _O32    31     1.26429   114.41082   179.83687
   37    33 S   CT   _C13    37     1.59053   111.38893    55.97377
   38    37 S   HC   _H5_    38     1.09581   104.89661   -79.61323
   39    33 S   CT   _C19    83     1.58330   110.42122   -64.69357
   40    39 S   HC   _H7_    84     1.09524   110.10838   143.47497
   41    37 S   CT   _C12    39     1.54559   117.66434    37.37608
   42    41 S   HC   _H20    40     1.09264   111.98017    64.51114
   43    41 S   HC   _H21    41     1.09176   111.59833   -54.32899
   44    37 S   CT   _C14    59     1.55562   112.26079   164.47928
   45    44 S   HC   _H6_    60     1.09666   107.88199    55.14097
   46    39 S   OH   _O35    85     1.41432   116.38262    23.45960
   47    46 S   HO   _H31    86     0.97245   107.86276  -176.66975
   48    41 S   CT   _C11    42     1.52873   111.37183  -173.12628
   49    48 S   HC   _H18    43     1.09591   108.27739    66.49647
   50    48 S   HC   _H19    44     1.09735   108.63751  -178.71549
   51    44 S   CT   _C15    61     1.54457   111.00594   -60.56297
   52    51 S   HC   _H22    62     1.09553   111.27660   -97.13602
   53    51 S   HC   _H23    63     1.09760   108.27417   147.34078
   54    48 S   CT   _C10    45     1.53936   113.38979   -57.04078
   55    54 S   HC   _H4_    46     1.09824   106.58377   -66.91990
   56    51 S   CT   _C16    64     1.52392   115.78555    24.95222
   57    56 S   HC   _H24    65     1.09695   108.32628   156.67243
   58    56 S   HC   _H25    66     1.09707   108.32520   -91.11591
   59    54 S   CT   _C9_    47     1.54091   110.09528   177.84532
   60    59 S   HC   _H16    48     1.09794   110.19476    50.23968
   61    59 S   HC   _H17    49     1.09765   109.81313   164.80705
   62    33 S   CT   _C17    67     1.62466   111.13257  -177.73091
   63    59 S   CT   _C8_    50     1.52794   113.39904   -72.54633
   64    63 S   HC   _H3_    51     1.09542   109.82832    69.84494
   65    62 S   CT   _C21    68     1.57771   104.31285   128.23853
   66    65 S   HC   _H8_    69     1.09921   108.90837    76.19874
   67    62 S   CT   _C27    87     1.55841   114.61941     9.17235
   68    67 S   HC   _H32    88     1.09473   112.43999    59.12354
   69    67 S   HC   _H33    89     1.09596   111.67611   -63.18371
   70    67 S   HC   _H34    90     1.09637   111.38658   179.36542
   71    63 S   CT   _C7_    52     1.52551   112.12415   -52.48777
   72    71 S   HC   _H14    53     1.09629   110.10915   -72.49700
   73    71 S   HC   _H15    54     1.09749   109.26351   173.07530
   74    65 S   CM   _C22    70     1.51816   118.48373  -162.91060
   75    65 S   CT   _C20    80     1.52791   102.26490   -35.23458
   76    75 S   HC   _H26    81     1.09605   112.37965   166.68612
   77    75 S   HC   _H27    82     1.09604   113.59111   -71.67954
   78    63 S   OH   _O36    95     1.42520   108.43328  -173.45042
   79    78 S   HO   _H35    96     0.97246   107.52097  -179.53186
   80    71 S   CT   _C6_    55     1.52946   112.26075    51.51053
   81    80 S   HC   _H12    56     1.09430   107.06942    70.09820
   82    80 S   HC   _H13    57     1.09750   108.85398  -175.86033
   83    74 S   CM   _C23    71     1.44534   117.98069   -84.97832
   84    83 S   HC   _H28    72     1.08470   119.00126     0.45885
   85    54 S   CT   _C5_    58     1.55818   112.46498    52.05069
   86    83 S   CM   _C24    73     1.33635   121.44361  -179.05374
   87    86 S   HC   _H29    74     1.08350   121.54822  -180.00000
   88    86 S   CO4  _C25    75     1.47495   120.62262     0.39466
   89    88 S   O    _O33    76     1.22647   120.63044  -179.19741
   90    85 S   CT   _C4_    91     1.55444   110.11065  -169.12943
   91    90 S   HC   _H9_    92     1.09454   112.03038    54.25215
   92    90 S   HC   _H10    93     1.09311   112.90382   -65.29751
   93    90 S   HC   _H11    94     1.09609   110.67982   174.68124
   94    88 S   OS   _O34    77     1.36811   117.10812     1.15657
   95    74 S   CM   _C26    78     1.34023   125.38846    98.27066
   96    95 S   HC   _H30    79     1.08033   126.27339    -1.95324
  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  13   5   4   3
  28   2   1   1  24  10  14   7  13   6   5  21   8   6   1  11
   5   4  12   6   5  16   7  12   4   3  12   6   5  12  10   6
  15   7   5   2   1   1   9   6   5  11   4   1   1   2   1   7
   3   2   8   4   4   5   3   4   2   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    56    62    65    75    39    40    46    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    85    44    45    51    56    57    58    62    65    66    74    75    76    77    39    40    46    47    67    68    69    70  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    85    44    45    51    52    53    56    62    65    75    39    40    46    67    90  
   41    42    43    48    85    44    45    51    62    39  
   40    46    47    67    41    44    56    62    65    66    74    75    76    77  
   46    47    62    65    75    76    77  
   42    43    48    49    50    54    55    59    85    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    56    57    58    62    90    91    92    93    48    54    55    59    71    80    81    82    85  
   51    52    53    56    90    54    80    85  
   47    62    65    75    76    77  
   75  
   49    50    54    55    59    60    61    63    80    85    90  
   50    54    55    59    85  
   54    55    59    85  
   52    53    56    57    58    62    65    67    90    54    80    85  
   53    56    57    58    62    85  
   56    57    58    62    85  
   55    59    60    61    63    64    71    80    81    82    85    90    91    92    93    78  
   59    60    61    63    80    85    90  
   57    58    62    65    66    74    75    67    68    69    70    85  
   58    62    65    67  
   62    65    67  
   60    61    63    64    71    72    73    80    85    90    78    79  
   61    63    64    71    85    78  
   63    64    71    85    78  
   65    66    74    83    95    75    76    77    67    68    69    70  
   64    71    72    73    80    81    82    85    78    79  
   71    72    73    80    78    79  
   66    74    83    84    86    94    95    96    75    76    77    67    68    69    70  
   74    83    95    75    76    77    67  
   68    69    70    74    75  
   69    70  
   70  
    0  
   72    73    80    81    82    85    90    78    79  
   73    80    81    82    85    78  
   80    81    82    85    78  
   83    84    86    87    88    94    95    96    75    76    77  
   76    77    83    95  
   77  
    0  
   79    80  
    0  
   81    82    85    90    91    92    93  
   82    85    90  
   85    90  
   84    86    87    88    89    94    95    96  
   86    87    88    95  
   90    91    92    93  
   87    88    89    94    95  
   88    89    94  
   89    94    95    96  
   94    95  
   91    92    93  
   92    93  
   93  
    0  
   95    96  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    62   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    85   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    78   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   268.000  1.529
   85    44   268.000  1.529
   85    90   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    65   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    74   317.000  1.510
   65    75   268.000  1.529
   74    83   380.000  1.444
   74    95   549.000  1.340
   83    84   340.000  1.080
   83    86   549.000  1.340
   86    87   340.000  1.080
   86    88   320.000  1.462
   88    89   570.000  1.229
   88    94   214.000  1.327
   94    95   440.000  1.360
   95    96   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   78    79   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    62    56    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    67    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    85    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    58.35000  112.70000
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    54    85    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   54    85    80    58.35000  112.70000
   54    85    44    58.35000  112.70000
   54    85    90    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    71    58.35000  112.70000
   59    63    78    50.00000  109.50000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    80    58.35000  112.70000
   63    78    79    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    80    81    37.50000  110.70000
   71    80    82    37.50000  110.70000
   71    80    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   80    71    72    37.50000  110.70000
   80    71    73    37.50000  110.70000
   80    85    44    58.35000  112.70000
   80    85    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   85    54    55    37.50000  110.70000
   85    54    59    58.35000  112.70000
   85    80    81    37.50000  110.70000
   85    80    82    37.50000  110.70000
   85    44    45    37.50000  110.70000
   85    44    51    58.35000  112.70000
   85    90    91    37.50000  110.70000
   85    90    92    37.50000  110.70000
   85    90    93    37.50000  110.70000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    65    58.35000  112.70000
   56    62    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    74    70.00000  112.02700
   62    65    75    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    74    83    70.00000  124.00000
   65    74    95    70.00000  124.00000
   65    75    76    37.50000  110.70000
   65    75    77    37.50000  110.70000
   65    75    39    58.35000  112.70000
   74    65    66    35.00000  109.50000
   74    83    84    35.00000  120.00000
   74    83    86    70.00000  123.01800
   74    95    94    80.00000  120.01400
   74    95    96    35.00000  120.00000
   83    86    87    35.00000  120.00000
   83    86    88    65.00000  118.96000
   86    83    84    35.00000  120.00000
   86    88    89    80.00000  123.72100
   86    88    94    90.00000  111.29400
   88    86    87    40.00000  117.72500
   88    94    95    90.00000  114.22900
   94    88    89    83.00000  123.40000
   94    95    96    55.00000  109.52600
   95    74    83    70.00000  123.01800
   75    65    66    37.50000  110.70000
   75    65    74    70.00000  112.02700
   75    39    40    37.50000  110.70000
   75    39    46    50.00000  109.50000
   77    75    76    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    62    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   90    85    44    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   78    63    64    35.00000  109.50000
   78    63    71    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    62    56   0.44750  1.0 1.0
   29    33    62    56  -0.17800 -1.0 2.0
   29    33    62    56   0.20200  1.0 3.0
   29    33    62    65   0.44750  1.0 1.0
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   67    62    65    75   0.20000  1.0 3.0
   90    85    44    37   0.56750  1.0 1.0
   90    85    44    37  -0.07550 -1.0 2.0
   90    85    44    37   0.20000  1.0 3.0
   90    85    44    45   0.15000  1.0 3.0
   90    85    44    51   0.56750  1.0 1.0
   90    85    44    51  -0.07550 -1.0 2.0
   90    85    44    51   0.20000  1.0 3.0
   78    63    71    72   0.23400  1.0 3.0
   78    63    71    73   0.23400  1.0 3.0
   78    63    71    80   0.86500  1.0 1.0
   78    63    71    80  -0.17500 -1.0 2.0
   78    63    71    80   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   65    83    74    95   1.10000 -1.0 2.0
   74    84    83    86   1.10000 -1.0 2.0
   88    87    86    83   1.10000 -1.0 2.0
   86    94    88    89  10.50000 -1.0 2.0
   94    96    95    74   1.10000 -1.0 2.0
END
