* LIGAND DATABASE FILE (OPLS2005)
*
001     101   107    203    342     607
    1     0 S   NP   _N1_     1    28.97053    94.59598   -25.51142
    2     1 S   H    _HN1     2     1.02829    31.02927  -159.57744
    3     1 S   H    _H1_     3     1.02782   117.71621   -81.12663
    4     1 S   H    _H2_     4     1.02950    76.06766    22.54097
    5     1 S   CT   _CA1     5     1.50115   124.24546   127.93637
    6     5 S   HC   _HA1     6     1.09573   105.20206    90.92682
    7     5 S   CO3  _C1_     7     1.53783   112.44025   -29.30892
    8     7 S   O2Z  _O11     8     1.26370   114.99794   -42.80346
    9     7 S   O2Z  _O12     9     1.26237   114.94485   136.32404
   10     5 S   CT   _CB1    10     1.53082   107.42603  -151.09540
   11    10 S   HC   HB11    11     1.09831   109.36762   -49.86666
   12    10 S   HC   HB12    12     1.09813   110.44584    66.73511
   13    10 S   CT   _CG1    13     1.52992   112.61241  -170.85939
   14    13 S   HC   HG11    14     1.09585   110.60886   -65.44983
   15    13 S   HC   HG12    15     1.09669   109.81110    53.78301
   16    13 S   C    _CD1    16     1.51802   112.24544   174.22460
   17    16 S   O    _OE1    17     1.22733   123.29554     6.04134
   18    16 S   N    _N2_    18     1.38652   111.66361  -174.12177
   19    18 S   H    _HN2    19     1.01589   118.95661     1.44537
   20    18 S   CT1  _CA2    20     1.46165   123.34128   177.55944
   21    20 S   HC   _HA2    21     1.09743   109.37052    -0.63551
   22    20 S   C    _C2_    22     1.53494   108.57534  -116.08031
   23    22 S   O    _O2_    23     1.23049   122.28875  -148.14440
   24    20 S   CT   _CB2    32     1.53281   111.63622   121.36380
   25    24 S   HC   HB21    33     1.09519   110.19824    56.56361
   26    24 S   HC   HB22    34     1.09509   110.04903   175.51686
   27    22 S   N    _N3_    24     1.38331   113.63443    39.32094
   28    27 S   H    _HN3    25     1.01603   119.55109    -3.47587
   29    24 S   S    _SG2    35     1.82826   111.44779   -64.86291
   30    27 S   CT   _CA3    26     1.45286   123.19875   177.05171
   31    30 S   HC   HA31    27     1.09550   107.52038   -64.22213
   32    30 S   HC   HA32    28     1.09557   107.96936    52.20878
   33    29 S   CT   _C12    36     1.85667    99.37267  -177.69556
   34    33 S   HC   _H7_    37     1.09458   109.11127    34.40123
   35    30 S   CO3  _C3_    29     1.52953   114.08675   174.19566
   36    35 S   O2Z  _O31    30     1.26377   116.05900    -0.73542
   37    35 S   O2Z  _O32    31     1.26429   114.41349   179.32478
   38    33 S   CT   _C13    38     1.54355   104.05762   -84.93197
   39    38 S   HC   _H8_    39     1.09536   113.42492    32.67736
   40    38 S   CO4  _C14    40     1.51106    99.86942   -83.85080
   41    40 S   O    _O33    41     1.22650   123.17686   154.86033
   42    38 S   CT   _C20    98     1.52323   114.43023   157.56565
   43    42 S   HC   _H21    99     1.09388   113.09259    62.27803
   44    42 S   HC   _H22   100     1.09455   110.65002   -59.50921
   45    42 S   HC   _H23   101     1.09581   110.01105  -178.71108
   46    40 S   CT   _C15    42     1.54031   112.62741   -25.83562
   47    33 S   CT   _C11    43     1.57454   117.98546   161.13352
   48    47 S   HC   _H6_    44     1.09968   101.71622  -177.46905
   49    46 S   CT   _C16    86     1.54277   104.67887  -121.47582
   50    49 S   HC   _H9_    87     1.09894   108.79405    36.51650
   51    46 S   OH   _O37    96     1.41435   108.85994   119.37427
   52    51 S   HO   _H20    97     0.97309   108.39716   -58.88093
   53    47 S   CT   _C10    45     1.59110   121.68008   -63.65946
   54    49 S   OH   _O36    88     1.43730   108.83515   -78.08267
   55    54 S   HO   _H19    89     0.97330   107.87829    48.28271
   56    53 S   CT   _C9_    46     1.57219   113.31808   160.99656
   57    56 S   HC   _H5_    47     1.09683   109.14782   -79.26907
   58    53 S   OS   _O38    74     1.46349   104.83001   -80.97660
   59    56 S   CT   _C8_    48     1.55594   107.13679   163.39789
   60    59 S   HC   _H4_    49     1.09494   111.14506   173.73878
   61    56 S   C3T  _C18    83     1.50695   119.59284    43.13871
   62    61 S   HC   _H10    84     1.08721   111.46937   153.05140
   63    59 S   CT   _C7_    50     1.54040   114.18805    42.96118
   64    61 S   C3T  _C17    85     1.50918   128.08834   -57.16670
   65    63 S   CT   _C6_    51     1.53099   110.51087    20.59279
   66    65 S   HC   _H14    52     1.09816   110.77551   176.50716
   67    65 S   HC   _H15    53     1.09807   110.09283    59.67619
   68    63 S   OS   _O40    60     1.44588   103.90544   -92.45341
   69    63 S   CM   _C28    75     1.52587   112.62098   148.21487
   70    61 S   O3T  _O34    90     1.42592   116.89276    13.11183
   71    64 S   CT   _C19    91     1.51316   116.82108  -159.27141
   72    71 S   HC   _H16    92     1.09587   111.41315   -45.02065
   73    71 S   HC   _H17    93     1.09521   111.22334  -165.44214
   74    53 S   CT   _C5_    54     1.58539   115.06461    36.91537
   75    74 S   HC   _H3_    55     1.09330   108.06465    41.98855
   76    68 S   CO   _C21    61     1.42783   105.03179     9.13063
   77    69 S   CM   _C29    76     1.34470   123.37381   107.90592
   78    77 S   HC   _H29    77     1.08544   121.35542   179.93744
   79    77 S   HC   _H30    78     1.08454   122.21775    -0.24629
   80    69 S   CT   _C30    79     1.50781   117.15087   -72.06767
   81    80 S   HC   _H31    80     1.09440   110.58536   -66.40595
   82    80 S   HC   _H32    81     1.09395   110.99696    54.16809
   83    80 S   HC   _H33    82     1.09559   112.06930   173.93764
   84    71 S   OH   _O35    94     1.42250   109.34225    74.14431
   85    84 S   HO   _H18    95     0.97213   107.00722   176.86775
   86    74 S   CT   _C4_    56     1.54629   114.74136   -79.35599
   87    86 S   HC   _H11    57     1.09296   113.28848   -87.52916
   88    86 S   HC   _H12    58     1.09618   109.69698   154.29902
   89    86 S   HC   _H13    59     1.09000   113.20285    33.31270
   90    76 S   CA   _C22    62     1.51271   111.23015  -155.15651
   91    59 S   OS   _O39    73     1.43637   104.84397   -68.47106
   92    90 S   CA   _C23    63     1.40499   120.35638   155.24652
   93    92 S   HA   _H24    64     1.08778   120.32414    -1.15471
   94    92 S   CA   _C24    65     1.39627   120.85036   178.59737
   95    94 S   HA   _H25    66     1.08625   119.92768   179.69933
   96    94 S   CA   _C25    67     1.39246   120.05713    -0.54644
   97    96 S   HA   _H26    68     1.08605   120.07104  -179.91844
   98    96 S   CA   _C26    69     1.39270   119.85926    -0.29208
   99    98 S   HA   _H27    70     1.08633   119.97515  -179.45643
  100    90 S   CA   _C27    71     1.40383   121.27650   -27.59567
  101   100 S   HA   _H28    72     1.08736   120.60609     1.20301
  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
  18   8   2   1   1  13   8  15   5   5   2   1   1  16  18   6
  15   7   4   1  23   5   1  18  10  13  17   7  10   3  18   6
  14   6   5   9  10   4   4   3   2   6   4   8   6   2   1   3
   2   1   1   1   1   3   2   1   1  10   2   8   4   6   3   5
   3   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    47    48    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    53    56    74    58    49    51    42    43    44    45  
   38    39    40    46    47    48    53    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    53    49    51    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    53    64    49    50    54    51    52    42    43    44    45  
   46    47    49    51    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    53    56    74    58    61    64    49    50    54    55    70    71    51    52  
   48    53    56    57    59    65    74    75    86    76    58    61    64    49    50    54    51    52  
   53    56    74    58    49    51  
   50    54    55    70    71    72    73    84    51    52    53    56    61    62    64  
   54    55    70    71    51    61    64  
   52    53    54    64  
    0  
   56    57    59    60    63    65    66    67    74    75    86    87    88    89    68    76    90    91    58    61    62    64    70  
   55    70    71    61    64  
   64  
   57    59    60    63    65    74    75    86    68    76    91    58    69    61    62    64    70    71  
   59    60    63    74    91    58    61    62    64    70  
   61    59    63    65    68    74    75    76    86    90    91    92   100  
   60    63    65    66    67    74    68    76    90    91    69    77    80    61    62    64    70  
   63    65    68    76    91    69    61  
   62    64    70    71    72    73    84    63    74    91  
   64    70    71  
   65    66    67    74    75    86    68    76    90    91    69    77    78    79    80    81    82    83  
   70    71    72    73    84    85  
   66    67    74    75    86    87    88    89    68    76    91    69    77    80  
   67    74    75    86    68    69  
   74    75    86    68    69  
   76    90    92   100    91    69    77    80    74  
   77    78    79    80    81    82    83    74    76    91  
   71    72    73    84  
   72    73    84    85  
   73    84    85  
   84    85  
   75    86    87    88    89    76  
   86    87    88    89  
   90    92    93    94    98   100   101    91  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85  
    0  
   87    88    89  
   88    89  
   89  
    0  
   92    93    94    95    96    98    99   100   101    91  
   92   100  
   93    94    95    96    97    98   100   101  
   94    95    96   100  
   95    96    97    98    99   100  
   96    97    98  
   97    98    99   100   101  
   98    99   100  
   99   100   101  
  100   101  
  101  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.060000   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   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   268.000  1.529
   46    49   268.000  1.529
   46    51   320.000  1.410
   47    48   340.000  1.090
   47    53   268.000  1.529
   53    56   268.000  1.529
   53    74   268.000  1.529
   53    58   320.000  1.410
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   275.000  1.510
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    91   320.000  1.410
   63    65   268.000  1.529
   63    68   320.000  1.410
   63    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   68    76   320.000  1.380
   76    90   270.000  1.504
   76    91   320.000  1.380
   76    58   320.000  1.380
   90    92   469.000  1.400
   90   100   469.000  1.400
   92    93   367.000  1.080
   92    94   469.000  1.400
   94    95   367.000  1.080
   94    96   469.000  1.400
   96    97   367.000  1.080
   96    98   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100   101   367.000  1.080
   69    77   549.000  1.340
   69    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   61    62   340.000  1.088
   61    64   260.000  1.509
   61    70   335.000  1.432
   64    49   275.000  1.510
   64    70   335.000  1.432
   64    71   275.000  1.510
   49    50   340.000  1.090
   49    54   320.000  1.410
   54    55   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    84   320.000  1.410
   84    85   553.000  0.945
   51    52   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    53    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    63.00000  111.10000
   40    46    49    63.00000  111.10000
   40    46    51    90.00000  109.61100
   46    40    41    80.00000  120.40000
   46    47    48    37.50000  110.70000
   46    47    53    58.35000  112.70000
   46    49    64    70.00000  112.37300
   46    49    50    37.50000  110.70000
   46    49    54    50.00000  109.50000
   46    51    52    55.00000  108.50000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    53    56    58.35000  112.70000
   47    53    74    58.35000  112.70000
   47    53    58    50.00000  109.50000
   53    47    48    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    59    58.35000  112.70000
   53    56    61    70.00000  112.37300
   53    74    65    58.35000  112.70000
   53    74    75    37.50000  110.70000
   53    74    86    58.35000  112.70000
   53    58    76    60.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    63    58.35000  112.70000
   56    59    91    50.00000  109.50000
   56    61    62    40.00000  115.04500
   56    61    64    60.00000  120.94000
   56    61    70    80.00000  116.47100
   59    56    57    37.50000  110.70000
   59    63    65    58.35000  112.70000
   59    63    68    50.00000  109.50000
   59    63    69    70.00000  112.02700
   59    91    76    60.00000  109.50000
   63    59    60    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    74    58.35000  112.70000
   63    68    76    60.00000  109.50000
   63    69    77    70.00000  124.00000
   63    69    80    65.00000  117.92700
   65    74    75    37.50000  110.70000
   65    74    86    58.35000  112.70000
   67    65    66    33.00000  107.80000
   74    53    56    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    86    87    37.50000  110.70000
   74    86    88    37.50000  110.70000
   74    86    89    37.50000  110.70000
   86    74    75    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   68    63    65    50.00000  109.50000
   68    76    90    90.00000  107.97000
   68    76    91    92.60000  111.55000
   68    76    58    92.60000  111.55000
   76    90    92    60.00000  120.68000
   76    90   100    60.00000  120.68000
   90    92    93    35.00000  120.00000
   90    92    94    63.00000  120.00000
   90   100    98    63.00000  120.00000
   90   100   101    35.00000  120.00000
   92    94    95    35.00000  120.00000
   92    94    96    63.00000  120.00000
   94    92    93    35.00000  120.00000
   94    96    97    35.00000  120.00000
   94    96    98    63.00000  120.00000
   96    94    95    35.00000  120.00000
   96    98    99    35.00000  120.00000
   96    98   100    63.00000  120.00000
   98    96    97    35.00000  120.00000
   98   100   101    35.00000  120.00000
  100    90    92    63.00000  120.00000
  100    98    99    35.00000  120.00000
   91    59    60    35.00000  109.50000
   91    59    63    50.00000  109.50000
   91    76    90    90.00000  107.97000
   58    53    56    50.00000  109.50000
   58    53    74    50.00000  109.50000
   58    76    90    90.00000  107.97000
   58    76    91    92.60000  111.55000
   69    63    65    70.00000  112.02700
   69    63    68    85.00000  110.90400
   69    77    78    35.00000  120.00000
   69    77    79    35.00000  120.00000
   69    80    81    35.00000  109.50000
   69    80    82    35.00000  109.50000
   69    80    83    35.00000  109.50000
   79    77    78    35.00000  117.00000
   80    69    77    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   61    56    57    45.00000  109.38400
   61    56    59    70.00000  112.37300
   61    64    49    60.00000  120.94000
   61    64    70    15.00000   60.43100
   61    64    71    60.00000  120.94000
   61    70    64    15.00000   59.14900
   64    61    62    37.50000  117.20000
   64    49    50    45.00000  109.38400
   64    49    54    50.00000  109.50000
   64    71    72    45.00000  109.38400
   64    71    73    45.00000  109.38400
   64    71    84    50.00000  109.50000
   49    46    47    58.35000  112.70000
   49    54    55    55.00000  108.50000
   54    49    50    35.00000  109.50000
   70    61    62    50.00000  114.27700
   70    61    64    15.00000   60.43100
   70    64    49    80.00000  116.47100
   71    64    49    58.35000  112.70000
   71    64    70    80.00000  116.47100
   71    84    85    55.00000  108.50000
   73    71    72    33.00000  107.80000
   84    71    72    35.00000  109.50000
   84    71    73    35.00000  109.50000
   51    46    47    50.00000  109.50000
   51    46    49    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
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   58    53    74    65  -0.30950 -1.0 2.0
   58    53    74    65   0.27300  1.0 3.0
   58    53    74    75   0.23400  1.0 3.0
   58    53    74    86   0.62750  1.0 1.0
   58    53    74    86  -0.30950 -1.0 2.0
   58    53    74    86   0.27300  1.0 3.0
   58    76    90    92   0.64500  1.0 1.0
   58    76    90    92   0.14800 -1.0 2.0
   58    76    90    92   0.20650  1.0 3.0
   58    76    90   100   0.64500  1.0 1.0
   58    76    90   100   0.14800 -1.0 2.0
   58    76    90   100   0.20650  1.0 3.0
   58    76   -91    59  -0.53350  1.0 1.0
   58    76   -91    59  -0.78350 -1.0 2.0
   58    76   -91    59   0.33750  1.0 3.0
   69    63    65    66   0.15000  1.0 3.0
   69    63    65    67   0.15000  1.0 3.0
   69    63    65    74   0.34400  1.0 1.0
   69    63    65    74   0.09450 -1.0 2.0
   69    63    65    74   0.11100  1.0 3.0
   69    63    68    76  -0.77900  1.0 1.0
   69    63    68    76  -0.36900 -1.0 2.0
   69    63    68    76   0.40400  1.0 3.0
   77    69    80    81   0.00000  1.0 1.0
   77    69    80    82   0.00000  1.0 1.0
   77    69    80    83   0.00000  1.0 1.0
   80    69    77    78   7.00000 -1.0 2.0
   80    69    77    79   7.00000 -1.0 2.0
   61    56    59    60   0.15000  1.0 3.0
   61    56    59    63   0.47050  1.0 1.0
   61    56    59    63   0.03900 -1.0 2.0
   61    56    59    63   0.20100  1.0 3.0
   61    56    59    91  -0.26800  1.0 1.0
   61    56    59    91   0.69150 -1.0 2.0
   61    56    59    91  -0.48750  1.0 3.0
   61    64    49    46   0.07850  1.0 1.0
   61    64    49    46  -0.03950 -1.0 2.0
   61    64    49    46   0.67350  1.0 3.0
   61    64    49    50   0.15000  1.0 3.0
   61    64    49    54   0.86500  1.0 1.0
   61    64    49    54  -0.17500 -1.0 2.0
   61    64    49    54   0.20800  1.0 3.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    84   0.86500  1.0 1.0
   61    64    71    84  -0.17500 -1.0 2.0
   61    64    71    84   0.20800  1.0 3.0
   62    61    64    49   0.15000  1.0 3.0
   62    61   -64    70   0.23400  1.0 3.0
   62    61    64    71   0.15000  1.0 3.0
   62    61   -70    64   0.36800  1.0 3.0
   64    49    54    55  -0.11600  1.0 1.0
   64    49    54    55  -0.09450 -1.0 2.0
   64    49    54    55   0.21250  1.0 3.0
   64    71    84    85  -0.11600  1.0 1.0
   64    71    84    85  -0.09450 -1.0 2.0
   64    71    84    85   0.21250  1.0 3.0
   49    46    47    33   0.56750  1.0 1.0
   49    46    47    33  -0.07550 -1.0 2.0
   49    46    47    33   0.20000  1.0 3.0
   49    46    47    48   0.15000  1.0 3.0
   49    46    47    53   0.56750  1.0 1.0
   49    46    47    53  -0.07550 -1.0 2.0
   49    46    47    53   0.20000  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   49    64   -70    61   0.06250  1.0 1.0
   49    64   -70    61  -0.01100 -1.0 2.0
   49    64   -70    61   0.28050  1.0 3.0
   49    64    71    72   0.15000  1.0 3.0
   49    64    71    73   0.15000  1.0 3.0
   49    64    71    84   0.86500  1.0 1.0
   49    64    71    84  -0.17500 -1.0 2.0
   49    64    71    84   0.20800  1.0 3.0
   50    49    54    55   0.19450  1.0 3.0
   70    61   -64    49   0.02550  1.0 1.0
   70    61   -64    49  -0.02600 -1.0 2.0
   70    61   -64    49   1.20400  1.0 3.0
   70    61   -64    71   0.02550  1.0 1.0
   70    61   -64    71  -0.02600 -1.0 2.0
   70    61   -64    71   1.20400  1.0 3.0
   70    64    49    46   0.02550  1.0 1.0
   70    64    49    46  -0.02600 -1.0 2.0
   70    64    49    46   1.20400  1.0 3.0
   70    64    49    50   0.23400  1.0 3.0
   70    64    49    54   3.69350  1.0 1.0
   70    64    49    54  -1.82950 -1.0 2.0
   70    64    71    72   0.23400  1.0 3.0
   70    64    71    73   0.23400  1.0 3.0
   70    64    71    84   3.69350  1.0 1.0
   70    64    71    84  -1.82950 -1.0 2.0
   71    64    49    46   0.56750  1.0 1.0
   71    64    49    46  -0.07550 -1.0 2.0
   71    64    49    46   0.20000  1.0 3.0
   71    64    49    50   0.15000  1.0 3.0
   71    64    49    54   0.86500  1.0 1.0
   71    64    49    54  -0.17500 -1.0 2.0
   71    64    49    54   0.20800  1.0 3.0
   71    64   -70    61   0.06250  1.0 1.0
   71    64   -70    61  -0.01100 -1.0 2.0
   71    64   -70    61   0.28050  1.0 3.0
   72    71    84    85   0.19450  1.0 3.0
   73    71    84    85   0.19450  1.0 3.0
   51    46    47    33   0.86500  1.0 1.0
   51    46    47    33  -0.17500 -1.0 2.0
   51    46    47    33   0.20800  1.0 3.0
   51    46    47    48   0.23400  1.0 3.0
   51    46    47    53   0.86500  1.0 1.0
   51    46    47    53  -0.17500 -1.0 2.0
   51    46    47    53   0.20800  1.0 3.0
   51    46    49    64   0.86500  1.0 1.0
   51    46    49    64  -0.17500 -1.0 2.0
   51    46    49    64   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    54   3.75450  1.0 1.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   36    30    35    37  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   92   100    90    76   4.00000 -1.0 2.0
   94    93    92    90   1.10000 -1.0 2.0
   96    95    94    92   1.10000 -1.0 2.0
   98    97    96    94   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
   98   101   100    90   1.10000 -1.0 2.0
   63    80    69    77  15.00000 -1.0 2.0
   78    79    77    69  15.00000 -1.0 2.0
END
