* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    197    326     596
    1     0 S   NP   _N1_     1    28.69866    94.99390   -24.52700
    2     1 S   H    _HN1     2     1.02786   108.79630   -87.18893
    3     1 S   H    _H1_     3     1.02949    78.42483    18.47627
    4     1 S   H    _H2_     4     1.02828    30.29655   179.32827
    5     1 S   CT   _CA1     5     1.50111   131.86812   125.59272
    6     5 S   HC   _HA1     6     1.09572   105.19927    85.02220
    7     5 S   CO3  _C1_     7     1.53793   112.46981   -35.23248
    8     7 S   O2Z  _O11     8     1.26374   115.00678   -42.31079
    9     7 S   O2Z  _O12     9     1.26239   114.95357   136.83921
   10     5 S   CT   _CB1    10     1.53079   107.42207  -156.97061
   11    10 S   HC   HB11    11     1.09833   109.39866   -49.51906
   12    10 S   HC   HB12    12     1.09813   110.43625    67.09846
   13    10 S   CT   _CG1    13     1.52986   112.59723  -170.48663
   14    13 S   HC   HG11    14     1.09582   110.63677   -65.36354
   15    13 S   HC   HG12    15     1.09669   109.78759    53.87085
   16    13 S   C    _CD1    16     1.51793   112.22587   174.35260
   17    16 S   O    _OE1    17     1.22730   123.28929     6.99583
   18    16 S   N    _N2_    18     1.38635   111.66074  -173.15347
   19    18 S   H    _HN2    19     1.01584   118.96525     1.81725
   20    18 S   CT1  _CA2    20     1.46229   123.43562   177.89615
   21    20 S   HC   _HA2    21     1.09739   109.39907     3.24992
   22    20 S   C    _C2_    22     1.53567   108.60863  -112.26198
   23    22 S   O    _O2_    23     1.23057   122.28894  -147.77071
   24    20 S   CT   _CB2    32     1.53526   111.43329   125.31098
   25    24 S   HC   HB21    33     1.09220   109.26253    57.03809
   26    24 S   HC   HB22    34     1.09448   109.53896   175.70062
   27    22 S   N    _N3_    24     1.38336   113.71614    39.69345
   28    27 S   H    _HN3    25     1.01578   119.59332    -3.30802
   29    24 S   S    _SG2    35     1.82939   110.87129   -65.26622
   30    27 S   CT   _CA3    26     1.45282   123.20170   177.12990
   31    30 S   HC   HA31    27     1.09549   107.51283   -64.51181
   32    30 S   HC   HA32    28     1.09557   107.98057    51.92272
   33    29 S   CT   _C21    36     1.90297   104.03652   166.02686
   34    30 S   CO3  _C3_    29     1.52957   114.08935   173.92262
   35    34 S   O2Z  _O31    30     1.26375   116.07941    -0.54536
   36    34 S   O2Z  _O32    31     1.26431   114.40991   179.50941
   37    33 S   CT   _C26    37     1.54765   109.16466    43.37719
   38    37 S   HC   _H29    38     1.09420   111.74900   -56.44900
   39    37 S   HC   _H30    39     1.09464   112.06287  -174.12684
   40    33 S   CT   _C20    54     1.54672   106.68250   -77.11407
   41    40 S   F    F1__    55     1.36327   110.09590    65.82372
   42    40 S   HC   _H8_    56     1.09632   110.77628   -51.75126
   43    37 S   CO4  _C25    40     1.51347   112.33316    66.16468
   44    43 S   O    _O37    41     1.22942   121.75609  -151.41529
   45    43 S   CM   _C24    42     1.48039   118.47808    31.67680
   46    45 S   HC   _H28    43     1.08368   117.77277   176.43696
   47    45 S   CM   _C23    44     1.33836   120.61154    -2.17439
   48    47 S   HC   _H27    45     1.08875   117.33576   177.71159
   49    33 S   CT   _C22    46     1.60394   110.55685   163.80207
   50    49 S   CT   _C8_    47     1.59396   109.83184   171.25978
   51    50 S   HC   _H4_    48     1.10017   106.14610    60.13055
   52    49 S   CT   _C27    95     1.55467   111.41694    47.82992
   53    52 S   HC   _H31    96     1.09334   112.22636    65.35105
   54    52 S   HC   _H32    97     1.09386   112.93142   -56.27340
   55    52 S   HC   _H33    98     1.09270   112.44389  -173.00681
   56    50 S   CT   _C9_    49     1.55964   112.27797   -54.69339
   57    56 S   HC   _H5_    50     1.09458   109.70759   -65.63521
   58    50 S   CT   _C7_    69     1.56496   116.79784   174.01909
   59    58 S   HC   _H3_    70     1.09614   108.78318   -60.03641
   60    56 S   CT   _C19    51     1.53179   111.26579    53.35234
   61    60 S   HC   _H25    52     1.09705   110.65290    71.06751
   62    60 S   HC   _H26    53     1.09732   109.92947  -173.51097
   63    56 S   CT   _C10    57     1.53831   108.51089   174.38909
   64    63 S   HC   _H6_    58     1.10119   105.38925   -57.99818
   65    58 S   OH   _O38    71     1.41914   111.98275    57.38417
   66    65 S   HO   _H34    72     0.97238   107.91016  -175.42431
   67    63 S   CT   _C11    59     1.52732   118.94133  -176.34602
   68    67 S   HC   _H14    60     1.09584   110.19009   -45.25039
   69    67 S   HC   _H15    61     1.09471   111.96558    75.29135
   70    67 S   CT   _C12    62     1.54194   103.93958  -163.29869
   71    70 S   HC   _H7_    63     1.09418   109.30553   135.10183
   72    70 S   CT   _C13    64     1.54108   107.19889     9.91324
   73    63 S   CT   _C5_    65     1.54750   114.20555    60.52259
   74    72 S   OS   _O33    77     1.42779   104.17502   -98.36671
   75    72 S   CO4  _C17    88     1.53859   113.23079   143.81516
   76    75 S   O    _O35    89     1.23265   121.42384   -22.41435
   77    73 S   CT   _C6_    66     1.54389   106.64229   -61.28666
   78    77 S   HC   _H12    67     1.09701   109.96656   -65.64074
   79    77 S   HC   _H13    68     1.09500   109.68021   177.14638
   80    73 S   CT   _C4_    73     1.55165   113.09376    61.03352
   81    80 S   HC   _H9_    74     1.09512   112.41202    68.29340
   82    80 S   HC   _H10    75     1.09131   113.35210   -51.80044
   83    80 S   HC   _H11    76     1.09607   110.55917  -172.19307
   84    74 S   CO   _C14    78     1.43000   107.13445   -21.37928
   85    75 S   CT   _C18    90     1.52091   117.38153   158.93190
   86    85 S   HC   _H22    91     1.09024   109.67995    63.55154
   87    85 S   HC   _H23    92     1.09249   109.71900   -58.01811
   88    70 S   OS   _O34    79     1.42506   110.60679  -105.86981
   89    84 S   CT   _C15    80     1.52618   109.45656  -103.61630
   90    89 S   HC   _H16    81     1.09531   110.97048    62.96509
   91    89 S   HC   _H17    82     1.09500   111.26642   -56.38096
   92    89 S   HC   _H18    83     1.09525   111.21766  -178.36278
   93    84 S   CT   _C16    84     1.52365   108.83140   135.63687
   94    93 S   HC   _H19    85     1.09520   110.77015   -61.32937
   95    93 S   HC   _H20    86     1.09515   111.30740   179.89913
   96    93 S   HC   _H21    87     1.09503   111.31450    57.79382
   97    85 S   OH   _O36    93     1.41481   110.27735  -177.27732
   98    97 S   HO   _H24    94     0.97224   107.26867   178.77028
  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
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  12   6   5  13   6  19  13  15  10   4   6   2   1   3
   2   1   1   9   4   3   2   8   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    77    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    73    77    78    79    58    59    65    66    52    53    54    55  
   56    57    60    63    77    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    73    77    58    59    65    80  
   60    61    62    63    64    67    73    58  
   59    65    66    80    60    63    72    73    77    78    79  
   65    66    73    77    78    79  
   61    62    63    64    67    73  
   62    63  
   63  
   64    67    68    69    70    71    72    73    77    78    79    80    81    82    83    74    88    75  
   67    68    69    70    72    73    77    80  
   66    73    77    78    79  
   77  
   68    69    70    71    72    73    77    80    74    84    88    75  
   69    70    71    72    73    88  
   70    71    72    73    88  
   71    72    73    77    80    74    84    88    89    93    75    76    85  
   72    73    74    84    88    75  
   73    77    78    79    80    81    82    83    74    84    88    89    93    75    76    85    86    87    97  
   77    78    79    80    81    82    83    74    84    88    75    76    85  
   84    88    89    90    91    92    93    94    95    96    75    76    85    77    80  
   76    85    86    87    97    98    77    80    84    88  
   85    86    87    97  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   88    89    90    91    92    93    94    95    96  
   86    87    97    98  
   87    97    98  
   97    98  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   42   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   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    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    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   367.000  1.332
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    73   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    88   320.000  1.410
   72    73   268.000  1.529
   72    74   320.000  1.410
   72    75   317.000  1.522
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    84   320.000  1.380
   84    88   320.000  1.380
   84    89   250.000  1.527
   84    93   250.000  1.527
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   75    76   570.000  1.229
   75    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    97   320.000  1.410
   97    98   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    77    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    73    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    50.00000  109.50000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    40.00000  107.00000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    73    72    58.35000  112.70000
   63    73    77    58.35000  112.70000
   63    73    80    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    88    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    58.35000  112.70000
   70    72    74    50.00000  109.50000
   70    72    75    63.00000  111.10000
   70    88    84    60.00000  109.50000
   72    70    71    37.50000  110.70000
   72    73    77    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    74    84    60.00000  109.50000
   72    75    76    80.00000  120.40000
   72    75    85    70.00000  116.00000
   73    63    64    37.50000  110.70000
   73    63    67    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    58    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    65    50.00000  109.50000
   79    77    78    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    56    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    77    79    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   80    73    77    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
   74    72    73    50.00000  109.50000
   74    84    88    92.60000  111.55000
   74    84    89    90.00000  108.56700
   74    84    93    90.00000  108.56700
   84    89    90    45.00000  108.72000
   84    89    91    45.00000  108.72000
   84    89    92    45.00000  108.72000
   84    93    94    45.00000  108.72000
   84    93    95    45.00000  108.72000
   84    93    96    45.00000  108.72000
   88    70    71    35.00000  109.50000
   88    70    72    50.00000  109.50000
   89    84    88    90.00000  108.56700
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    84    88    90.00000  108.56700
   93    84    89    65.00000  112.71400
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   75    72    73    63.00000  111.10000
   75    72    74    90.00000  108.74100
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    97    90.00000  109.61100
   85    75    76    80.00000  120.40000
   85    97    98    55.00000  108.50000
   87    85    86    33.00000  107.80000
   97    85    86    35.00000  109.50000
   97    85    87    35.00000  109.50000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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
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   74    84    93    95   0.23400  1.0 3.0
   74    84    93    96   0.23400  1.0 3.0
   88    70    72    73   0.62750  1.0 1.0
   88    70    72    73  -0.30950 -1.0 2.0
   88    70    72    73   0.27300  1.0 3.0
   88    70   -72    74   1.11900  1.0 1.0
   88    70   -72    74  -1.16350 -1.0 2.0
   88    70   -72    74  -0.34150  1.0 3.0
   88    70    72    75  -0.09450  1.0 1.0
   88    70    72    75  -1.12950 -1.0 2.0
   88    70    72    75   0.54000  1.0 3.0
   88    84    89    90   0.23400  1.0 3.0
   88    84    89    91   0.23400  1.0 3.0
   88    84    89    92   0.23400  1.0 3.0
   88    84    93    94   0.23400  1.0 3.0
   88    84    93    95   0.23400  1.0 3.0
   88    84    93    96   0.23400  1.0 3.0
   89    84    88    70   0.06250  1.0 1.0
   89    84    88    70  -0.01100 -1.0 2.0
   89    84    88    70   0.28050  1.0 3.0
   89    84    93    94   0.15000  1.0 3.0
   89    84    93    95   0.15000  1.0 3.0
   89    84    93    96   0.15000  1.0 3.0
   93    84    88    70   0.06250  1.0 1.0
   93    84    88    70  -0.01100 -1.0 2.0
   93    84    88    70   0.28050  1.0 3.0
   93    84    89    90   0.15000  1.0 3.0
   93    84    89    91   0.15000  1.0 3.0
   93    84    89    92   0.15000  1.0 3.0
   75    72    73    63  -0.95700  1.0 1.0
   75    72    73    63  -0.18200 -1.0 2.0
   75    72    73    63   0.29450  1.0 3.0
   75    72    73    77  -0.95700  1.0 1.0
   75    72    73    77  -0.18200 -1.0 2.0
   75    72    73    77   0.29450  1.0 3.0
   75    72    73    80  -0.95700  1.0 1.0
   75    72    73    80  -0.18200 -1.0 2.0
   75    72    73    80   0.29450  1.0 3.0
   75    72    74    84  -1.11000  1.0 1.0
   75    72    74    84   0.50250 -1.0 2.0
   75    72    74    84   0.47450  1.0 3.0
   75    85    97    98   0.91850  1.0 1.0
   75    85    97    98   0.57950  1.0 3.0
   76    75    85    86   0.00000  1.0 1.0
   76    75    85    87   0.00000  1.0 1.0
   76    75    85    97   0.30150 -1.0 2.0
   86    85    97    98   0.19450  1.0 3.0
   87    85    97    98   0.19450  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  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
   37    45    43    44  10.50000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    85    75    76  10.50000 -1.0 2.0
END
