* LIGAND DATABASE FILE (OPLS2005)
*
001     103   108    204    336     610
    1     0 S   NP   _N1_     1    28.65750    95.76995   -23.72853
    2     1 S   H    _HN1     2     1.02786   106.32412   -90.22805
    3     1 S   H    _H1_     3     1.02950    76.43372    15.25404
    4     1 S   H    _H2_     4     1.02831    33.27521   171.90726
    5     1 S   CT   _CA1     5     1.50113   135.40547   120.69520
    6     5 S   HC   _HA1     6     1.09572   105.20619    86.43351
    7     5 S   CO3  _C1_     7     1.53789   112.45925   -33.82062
    8     7 S   O2Z  _O11     8     1.26371   115.00492   -42.63939
    9     7 S   O2Z  _O12     9     1.26240   114.94885   136.53362
   10     5 S   CT   _CB1    10     1.53086   107.43164  -155.56727
   11    10 S   HC   HB11    11     1.09831   109.39122   -49.74834
   12    10 S   HC   HB12    12     1.09814   110.43458    66.85976
   13    10 S   CT   _CG1    13     1.52994   112.60297  -170.73499
   14    13 S   HC   HG11    14     1.09584   110.61303   -65.16487
   15    13 S   HC   HG12    15     1.09669   109.80819    54.06612
   16    13 S   C    _CD1    16     1.51799   112.25554   174.53506
   17    16 S   O    _OE1    17     1.22727   123.29831     6.04020
   18    16 S   N    _N2_    18     1.38653   111.65544  -174.14951
   19    18 S   H    _HN2    19     1.01590   118.93409     1.79057
   20    18 S   CT1  _CA2    20     1.46182   123.36140   177.68489
   21    20 S   HC   _HA2    21     1.09740   109.39666    -0.04846
   22    20 S   C    _C2_    22     1.53502   108.52147  -115.50926
   23    22 S   O    _O2_    23     1.23048   122.29232  -147.56512
   24    20 S   CT   _CB2    32     1.53323   111.58620   121.98888
   25    24 S   HC   HB21    33     1.09480   110.01185    56.17761
   26    24 S   HC   HB22    34     1.09515   110.09720   175.19340
   27    22 S   N    _N3_    24     1.38332   113.62727    39.86815
   28    27 S   H    _HN3    25     1.01602   119.56245    -3.41959
   29    24 S   S    _SG2    35     1.82814   111.45728   -65.21334
   30    27 S   CT   _CA3    26     1.45291   123.20346   177.06755
   31    30 S   HC   HA31    27     1.09550   107.51506   -64.31500
   32    30 S   HC   HA32    28     1.09556   107.97603    52.12015
   33    29 S   CT   _C16    36     1.85794    99.73488  -178.28914
   34    33 S   HC   _H3_    37     1.09788   106.69501    33.94926
   35    30 S   CO3  _C3_    29     1.52957   114.08000   174.10063
   36    35 S   O2Z  _O31    30     1.26378   116.05124    -1.03741
   37    35 S   O2Z  _O32    31     1.26428   114.41746   179.02783
   38    33 S   CT   _C12    38     1.54923   107.12559   -81.60227
   39    38 S   HC   _H44    39     1.09681   110.51147    58.02128
   40    33 S   CT   _C20    50     1.57851   114.92006   152.62803
   41    38 S   CT   _C15    40     1.52551   111.65586   177.24978
   42    41 S   HC   _H47    41     1.09903   105.60238   -70.85142
   43    40 S   CM   _C5_    51     1.55317   117.03386   -65.55863
   44    40 S   CT   _C23    92     1.56673   109.82634    53.11208
   45    44 S   HC   _H52    93     1.08887   113.55692    61.49960
   46    44 S   HC   _H53    94     1.09549   111.56774   -59.90613
   47    44 S   HC   _H54    95     1.09397   113.89883  -177.99231
   48    38 S   OH   _O34   102     1.42509   112.94705   -59.99870
   49    48 S   HO   _H65   103     0.97357   107.10103    55.03759
   50    41 S   CT   _C22    42     1.53525   117.23218    47.96248
   51    43 S   CM   _C4_    52     1.34287   126.83775     8.07069
   52    51 S   HC   _H39    53     1.08015   124.20522    -5.52414
   53    41 S   OH   _O37   100     1.42739   109.71914   175.91822
   54    53 S   HO   _H68   101     0.97451   106.96236   -59.47016
   55    50 S   CO4  _C7_    43     1.51970   119.47527    73.08917
   56    55 S   O    _O26    44     1.22039   126.56538    33.82584
   57    51 S   CO4  _C6_    54     1.48021   119.88399   173.53307
   58    57 S   O    _O25    55     1.22657   120.28391   165.35115
   59    50 S   CT   _C24    96     1.55252   107.31398  -166.80131
   60    59 S   HC   _H55    97     1.09566   110.88953    66.88333
   61    59 S   HC   _H56    98     1.09638   111.04219   -52.99997
   62    59 S   HC   _H57    99     1.09467   113.37650  -171.70180
   63    55 S   OS   _O28    45     1.38620   109.11829  -147.81262
   64    57 S   OS   _O27    56     1.36224   117.61362   -16.54806
   65    63 S   CT   _C9_    46     1.44050   109.07804    -0.18345
   66    65 S   HC   _H41    47     1.09600   107.25513   -92.27113
   67    64 S   CT   _C18    57     1.45952   122.07793    -0.55036
   68    67 S   HC   _H50    58     1.09890   106.73098   -80.87771
   69    50 S   CT   _C8_    48     1.53347   112.22588   -42.51163
   70    69 S   HC   _H40    49     1.10014   109.62207   -77.11623
   71    43 S   C3T  _C21    59     1.48720   115.34412  -173.13184
   72    67 S   CT   _C27    63     1.54293   108.83783   163.22474
   73    72 S   HC   _H63    64     1.09644   109.38920  -175.73093
   74    65 S   C3T  _C10    60     1.49506   113.58204   149.54171
   75    74 S   HC   _H42    61     1.07939   114.16974    39.82494
   76    72 S   CT   _C25    65     1.53041   110.38435    64.68415
   77    76 S   HC   _H58    66     1.09543   111.29390   -64.65995
   78    76 S   HC   _H59    67     1.09421   110.97869   177.02349
   79    76 S   HC   _H60    68     1.09441   111.22841    56.84035
   80    72 S   OS1  _O39    69     1.43278   109.40269   -53.75231
   81    71 S   O3T  _O29    62     1.43685   121.53340    85.17529
   82    80 S   CO1  _C19    70     1.43367   113.95068  -139.08851
   83    82 S   HC   _H51    71     1.09808   108.20218    54.71767
   84    82 S   CT   _C14    72     1.53438   107.32432   173.42607
   85    84 S   HC   _H46    73     1.09681   109.94560    53.79888
   86    84 S   CT   _C11    74     1.53084   111.14317   175.65039
   87    86 S   HC   _H43    75     1.09670   110.19065    73.65731
   88    84 S   OH5  _O36    90     1.42918   110.26034   -63.04170
   89    88 S   HO   _H67    91     0.97220   108.26789   -55.06978
   90    86 S   CT   _C13    76     1.53198   111.35604   -49.04013
   91    90 S   HC   _H45    77     1.09705   109.05149   -71.48520
   92    86 S   OH5  _O33    88     1.42949   109.67865  -170.46640
   93    92 S   HO   _H64    89     0.97241   108.13577    60.12618
   94    90 S   CT   _C17    78     1.53220   110.66745    49.74072
   95    94 S   HC   _H49    79     1.09836   110.93854    64.25772
   96    90 S   OH5  _O35    86     1.42595   109.71453   171.66348
   97    96 S   HO   _H66    87     0.97253   108.21956   -57.59850
   98    82 S   OS1  _O30    80     1.42682   111.46049   -66.37010
   99    94 S   CT   _C26    81     1.52963   111.58740  -174.92144
  100    99 S   HC   _H61    82     1.09502   111.01322    69.38426
  101    99 S   HC   _H62    83     1.09396   111.56796   -53.05370
  102    99 S   OH5  _O38    84     1.42518   109.00096  -171.99141
  103   102 S   HO   _H69    85     0.97245   106.99931  -178.31611
  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
  20   8   2   1   1  14   7  22  16   7  20   9   3   2   1   3
   1  14   9   4   4   1  11   4   6   2   7   3   2   1   8   9
   8   6  13   7   5   1   7  12   6   2   1   5   3   2   1   8
   1  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    69    40    43    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    65    69    70    40    43    51    71    44    45    46    47    53    48    49  
   38    39    41    69    40    43    44    48  
   36    37  
   37  
    0  
   39    41    42    50    55    69    40    43    44    59    53    54    48    49  
   41    42    50    40    53    48    49  
   43    51    52    57    67    71    74    81    44    45    46    47    59    48    41    50    55    63    65    66    69    70  
   42    50    55    56    63    65    69    70    59    60    61    62    53    54    48    49  
   50    55    69    59    53    54    48  
   51    52    57    58    64    67    68    71    74    75    81    72    44    45    46    47    50    65    69    70  
   45    46    47    50    51    65    69    70    71  
   46    47    69  
   47    69  
   69  
   49    50    53  
    0  
   55    56    63    65    66    69    70    74    59    60    61    62    53    54  
   52    57    58    64    67    71    74    81    69  
   57    58    64    71  
   54    55    59    69  
    0  
   56    63    65    66    69    70    74    59    60    61    62  
   63    65    69    59  
   58    64    67    68    71    72  
   64    67  
   60    61    62    63    65    69    70  
   61    62    69  
   62    69  
   69  
   65    66    69    70    71    74    75    81  
   67    68    71    74    81    72    73    76    80  
   66    69    70    67    71    74    75    81  
   69    70    71    74    75    81  
   68    71    74    75    81    72    73    76    77    78    79    80    82  
   71    74    81    72    73    76    80  
   70    71    74    75    81  
   74  
   74    75    81    72    73    76    80  
   73    76    77    78    79    80    82    83    84    98    74    81  
   76    77    78    79    80    82  
   75    81  
   81  
   77    78    79    80    82  
   78    79    80  
   79    80  
   80  
   82    83    84    85    86    94    98    88  
    0  
   83    84    85    86    87    90    94    95    98    99    92    88    89  
   84    85    86    94    98    88  
   85    86    87    90    91    94    98    96    92    93    88    89  
   86    87    90    98    92    88    89  
   87    90    91    94    95    98    99    96    97    92    93    88    89  
   90    91    94    96    92    93    88  
   89    90    92    98  
    0  
   91    94    95    98    99   100   101   102    96    97    92    93  
   94    95    98    99    96    97    92  
   93    94    96  
    0  
   95    98    99   100   101   102   103    96    97  
   98    99   100   101   102    96  
   97    98    99  
    0  
   99   100   101   102  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    48   320.000  1.410
   41    42   340.000  1.090
   41    50   268.000  1.529
   41    53   320.000  1.410
   50    55   317.000  1.522
   50    69   268.000  1.529
   50    59   268.000  1.529
   55    56   570.000  1.229
   55    63   214.000  1.327
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    74   275.000  1.510
   69    70   340.000  1.090
   69    40   268.000  1.529
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    51   549.000  1.340
   43    71   305.000  1.480
   51    52   340.000  1.080
   51    57   320.000  1.462
   57    58   570.000  1.229
   57    64   214.000  1.327
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    71   275.000  1.510
   67    72   268.000  1.529
   71    74   260.000  1.509
   71    81   335.000  1.432
   74    75   340.000  1.088
   74    81   335.000  1.432
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    80   335.000  1.422
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    82   370.000  1.399
   82    83   360.000  1.097
   82    84   255.000  1.525
   82    98   370.000  1.399
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   355.000  1.421
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   355.000  1.421
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    96   355.000  1.421
   94    95   340.000  1.090
   94    98   335.000  1.422
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   355.000  1.421
  102   103   580.000  0.967
   96    97   580.000  0.967
   92    93   580.000  0.967
   88    89   580.000  0.967
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   53    54   553.000  0.945
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    69    58.35000  112.70000
   33    40    43    70.00000  112.02700
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    50    58.35000  112.70000
   38    41    53    50.00000  109.50000
   38    48    49    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    50    55    63.00000  111.10000
   41    50    69    58.35000  112.70000
   41    50    59    58.35000  112.70000
   41    53    54    55.00000  108.50000
   50    41    42    37.50000  110.70000
   50    55    56    80.00000  120.40000
   50    55    63    81.00000  111.40000
   50    69    65    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    40    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    37.50000  110.70000
   55    63    65    83.00000  116.90000
   63    55    56    83.00000  123.40000
   63    65    66    35.00000  109.50000
   63    65    69    50.00000  109.50000
   63    65    74    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    40    58.35000  112.70000
   65    74    71    60.00000  120.94000
   65    74    75    40.00000  115.04500
   65    74    81    80.00000  116.47100
   69    50    55    63.00000  111.10000
   69    65    66    37.50000  110.70000
   69    40    43    70.00000  112.02700
   69    40    44    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    69    70    37.50000  110.70000
   40    43    51    70.00000  124.00000
   40    43    71    65.00000  117.92700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   43    51    52    35.00000  120.00000
   43    51    57    65.00000  118.96000
   43    71    67    65.00000  117.55000
   43    71    74    60.00000  120.58800
   43    71    81    85.00000  114.23300
   51    57    58    80.00000  123.72100
   51    57    64    90.00000  111.29400
   57    51    52    40.00000  117.72500
   57    64    67    83.00000  116.90000
   64    57    58    83.00000  123.40000
   64    67    68    35.00000  109.50000
   64    67    71    50.00000  109.50000
   64    67    72    50.00000  109.50000
   67    71    74    60.00000  120.94000
   67    71    81    80.00000  116.47100
   67    72    73    37.50000  110.70000
   67    72    76    58.35000  112.70000
   67    72    80    95.00000  107.88500
   71    43    51    55.00000  125.06700
   71    67    68    45.00000  109.38400
   71    74    75    37.50000  117.20000
   71    74    81    15.00000   60.43100
   71    81    74    15.00000   59.14900
   74    65    66    45.00000  109.38400
   74    65    69    70.00000  112.37300
   81    71    74    15.00000   60.43100
   81    74    75    50.00000  114.27700
   72    67    68    37.50000  110.70000
   72    67    71    70.00000  112.37300
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   72    80    82    90.00000  112.10700
   76    72    73    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    72    73    55.00000  108.98800
   80    72    76    95.00000  107.88500
   80    82    83    60.00000  105.75400
   80    82    84    90.00000  109.70700
   80    82    98   110.00000  113.16000
   82    84    85    45.00000  109.54000
   82    84    86    70.00000  111.10000
   82    84    88    90.00000  109.42000
   82    98    94    90.00000  112.10700
   84    82    83    45.00000  111.65000
   84    86    87    37.50000  110.70000
   84    86    90    58.35000  112.70000
   84    86    92    90.00000  111.45300
   84    88    89    65.00000  108.53500
   86    84    85    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    94    58.35000  112.70000
   86    90    96    90.00000  111.45300
   86    92    93    65.00000  108.53500
   90    86    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    98    95.00000  107.88500
   90    94    99    58.35000  112.70000
   90    96    97    65.00000  108.53500
   94    90    91    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    90.00000  111.45300
   98    82    83    60.00000  105.75400
   98    82    84    90.00000  109.70700
   98    94    95    55.00000  108.98800
   99    94    95    37.50000  110.70000
   99    94    98    95.00000  107.88500
   99   102   103    65.00000  108.53500
  101    99   100    33.00000  107.80000
  102    99   100    60.00000  109.39000
  102    99   101    60.00000  109.39000
   96    90    91    60.00000  109.39000
   96    90    94    90.00000  111.45300
   92    86    87    60.00000  109.39000
   92    86    90    90.00000  111.45300
   88    84    85    60.00000  109.39000
   88    84    86    90.00000  111.45300
   44    40    43    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   59    50    55    63.00000  111.10000
   59    50    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   53    41    42    35.00000  109.50000
   53    41    50    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    41    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
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   84    86    90    91   0.15000  1.0 3.0
   84    86   -90    94   0.56750  1.0 1.0
   84    86   -90    94  -0.07550 -1.0 2.0
   84    86   -90    94   0.20000  1.0 3.0
   84    86    90    96  -0.47750  1.0 1.0
   84    86    92    93   0.29150  1.0 1.0
   84    86    92    93  -0.28350 -1.0 2.0
   84    86    92    93   0.43600  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    90   0.15000  1.0 3.0
   85    84    86    92   0.23400  1.0 3.0
   85    84    88    89   0.19450  1.0 3.0
   86    84    88    89   0.29150  1.0 1.0
   86    84    88    89  -0.28350 -1.0 2.0
   86    84    88    89   0.43600  1.0 3.0
   86    90    94    95   0.15000  1.0 3.0
   86    90    94    98   0.62750  1.0 1.0
   86    90    94    98  -0.30950 -1.0 2.0
   86    90    94    98   0.27300  1.0 3.0
   86    90    94    99   0.56750  1.0 1.0
   86    90    94    99  -0.07550 -1.0 2.0
   86    90    94    99   0.20000  1.0 3.0
   86    90    96    97   0.29150  1.0 1.0
   86    90    96    97  -0.28350 -1.0 2.0
   86    90    96    97   0.43600  1.0 3.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    94   0.15000  1.0 3.0
   87    86    90    96   0.23400  1.0 3.0
   87    86    92    93   0.19450  1.0 3.0
   90    86    92    93   0.29150  1.0 1.0
   90    86    92    93  -0.28350 -1.0 2.0
   90    86    92    93   0.43600  1.0 3.0
   90    94   -98    82   0.06250  1.0 1.0
   90    94   -98    82  -0.01100 -1.0 2.0
   90    94   -98    82   0.28050  1.0 3.0
   90    94    99   100   0.15000  1.0 3.0
   90    94    99   101   0.15000  1.0 3.0
   90    94    99   102  -0.47750  1.0 1.0
   91    90    94    95   0.15000  1.0 3.0
   91    90    94    98   0.23400  1.0 3.0
   91    90    94    99   0.15000  1.0 3.0
   91    90    96    97   0.19450  1.0 3.0
   94    90    96    97   0.29150  1.0 1.0
   94    90    96    97  -0.28350 -1.0 2.0
   94    90    96    97   0.43600  1.0 3.0
   94    99   102   103   0.29150  1.0 1.0
   94    99   102   103  -0.28350 -1.0 2.0
   94    99   102   103   0.43600  1.0 3.0
   95    94    98    82   0.37050  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.23400  1.0 3.0
   98    82    84    85   0.23400  1.0 3.0
   98    82   -84    86   0.62750  1.0 1.0
   98    82   -84    86  -0.30950 -1.0 2.0
   98    82   -84    86   0.27300  1.0 3.0
   98    82    84    88   1.51850  1.0 1.0
   98    94    99   100   0.23400  1.0 3.0
   98    94    99   101   0.23400  1.0 3.0
   98    94    99   102   1.51850  1.0 1.0
   99    94    98    82   0.06250  1.0 1.0
   99    94    98    82  -0.01100 -1.0 2.0
   99    94    98    82   0.28050  1.0 3.0
  100    99   102   103   0.19450  1.0 3.0
  101    99   102   103   0.19450  1.0 3.0
   96    90    94    95   0.23400  1.0 3.0
   96    90    94    98   1.51850  1.0 1.0
   96    90    94    99  -0.47750  1.0 1.0
   92    86    90    91   0.23400  1.0 3.0
   92    86    90    94  -0.47750  1.0 1.0
   92    86    90    96   3.77950  1.0 1.0
   88    84    86    87   0.23400  1.0 3.0
   88    84    86    90  -0.47750  1.0 1.0
   88    84    86    92   3.77950  1.0 1.0
   44    40    43    51   0.09850  1.0 1.0
   44    40    43    51   0.15250 -1.0 2.0
   44    40    43    51  -0.50650  1.0 3.0
   44    40    43    71   0.46850  1.0 1.0
   44    40    43    71   0.08550 -1.0 2.0
   44    40    43    71   0.09800  1.0 3.0
   59    50    55    56   0.30150 -1.0 2.0
   59    50    55    63   0.36750  1.0 3.0
   59    50    69    65   0.56750  1.0 1.0
   59    50    69    65  -0.07550 -1.0 2.0
   59    50    69    65   0.20000  1.0 3.0
   59    50    69    70   0.15000  1.0 3.0
   59    50    69    40   0.56750  1.0 1.0
   59    50    69    40  -0.07550 -1.0 2.0
   59    50    69    40   0.20000  1.0 3.0
   53    41    50    55  -0.09450  1.0 1.0
   53    41    50    55  -1.12950 -1.0 2.0
   53    41    50    55   0.54000  1.0 3.0
   53    41    50    69   0.86500  1.0 1.0
   53    41    50    69  -0.17500 -1.0 2.0
   53    41    50    69   0.20800  1.0 3.0
   53    41    50    59   0.86500  1.0 1.0
   53    41    50    59  -0.17500 -1.0 2.0
   53    41    50    59   0.20800  1.0 3.0
   48    38    41    42   0.23400  1.0 3.0
   48    38    41    50   0.86500  1.0 1.0
   48    38    41    50  -0.17500 -1.0 2.0
   48    38    41    50   0.20800  1.0 3.0
   48    38    41    53   3.75450  1.0 1.0
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
   50    63    55    56  10.50000 -1.0 2.0
   40    71    43    51   1.10000 -1.0 2.0
   57    52    51    43   1.10000 -1.0 2.0
   51    64    57    58  10.50000 -1.0 2.0
END
