* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    202    336     614
    1     0 S   NP   _N1_     1    27.90705    96.40668   -23.15690
    2     1 S   H    _HN1     2     1.02957    76.75965     0.30901
    3     1 S   H    _H1_     3     1.02835    33.81718   153.51004
    4     1 S   H    _H2_     4     1.02777   104.28606  -105.56887
    5     1 S   CT   _CA1     5     1.50141   137.24126   106.13955
    6     5 S   HC   _HA1     6     1.09576   105.19745    85.15745
    7     5 S   CO3  _C1_     7     1.53774   112.33418   -34.99878
    8     7 S   O2Z  _O11     8     1.26367   114.99061   -44.18679
    9     7 S   O2Z  _O12     9     1.26232   114.92650   134.80736
   10     5 S   CT   _CB1    10     1.53086   107.41012  -156.96136
   11    10 S   HC   HB11    11     1.09829   109.29453   -50.42898
   12    10 S   HC   HB12    12     1.09815   110.44746    66.11374
   13    10 S   CT   _CG1    13     1.53031   112.69693  -171.48805
   14    13 S   HC   HG11    14     1.09592   110.51675   -65.18244
   15    13 S   HC   HG12    15     1.09659   109.89632    54.03277
   16    13 S   C    _CD1    16     1.51850   112.25507   174.37496
   17    16 S   O    _OE1    17     1.22765   123.26089     1.99410
   18    16 S   N    _N2_    18     1.38563   111.77243  -178.00267
   19    18 S   H    _HN2    19     1.01557   119.07931     3.94873
   20    18 S   CT1  _CA2    20     1.45770   122.79411   177.63123
   21    20 S   HC   _HA2    21     1.09757   108.86963    24.56392
   22    20 S   C    _C2_    22     1.52964   107.36390   -92.23349
   23    22 S   O    _O2_    23     1.22949   123.18109   -24.53220
   24    20 S   CT   _CB2    32     1.53274   112.37801   147.67308
   25    24 S   HC   HB21    33     1.09577   110.09121    52.29056
   26    24 S   HC   HB22    34     1.09245   109.60562   170.68586
   27    22 S   N    _N3_    24     1.38534   112.37249   158.16491
   28    27 S   H    _HN3    25     1.01658   120.27457    -2.43301
   29    24 S   S    _SG2    35     1.82704   110.72266   -67.70028
   30    27 S   CT   _CA3    26     1.45321   122.65413   178.22293
   31    30 S   HC   HA31    27     1.09563   107.95585   -52.81358
   32    30 S   HC   HA32    28     1.09554   107.51675    63.58556
   33    29 S   CT   _C13    36     1.91905   103.13580  -156.49277
   34    30 S   CO3  _C3_    29     1.52915   114.19513  -174.75996
   35    34 S   O2Z  _O31    30     1.26350   116.04496     0.67551
   36    34 S   O2Z  _O32    31     1.26430   114.41808  -179.37756
   37    33 S   CT   _C12    37     1.59306   108.88810   -44.45263
   38    37 S   HC   _H6_    38     1.09311   107.23838    53.52294
   39    33 S   CT   _C14    82     1.60960   110.66721  -166.22944
   40    39 S   OM   _O35    83     1.32215   115.15435    30.07755
   41    39 S   HC   _H7_    84     1.09919   105.79033   159.71786
   42    37 S   CT   _C15    39     1.54373   113.48153   -64.43756
   43    42 S   HC   _H17    40     1.09430   111.17697    51.96586
   44    42 S   HC   _H18    41     1.09512   110.61485   -66.52621
   45    37 S   CT   _C11    59     1.55617   114.63506   169.74376
   46    45 S   HC   _H5_    60     1.09823   106.33143    68.86553
   47    42 S   CT   _C16    42     1.52079   111.77567   172.33228
   48    47 S   HC   _H19    43     1.09694   109.29325  -179.58363
   49    47 S   HC   _H20    44     1.09714   108.78953   -64.58973
   50    45 S   CT   _C10    61     1.54195   112.99691   -46.35341
   51    50 S   HC   _H15    62     1.09389   112.14244  -125.59958
   52    50 S   HC   _H16    63     1.09615   108.57186   120.51597
   53    47 S   CT   _C17    45     1.53255   113.43009    57.37899
   54    53 S   HC   _H8_    46     1.10038   105.28263  -169.03091
   55    50 S   CT   _C9_    64     1.52085   114.24405    -2.71563
   56    55 S   HC   _H13    65     1.09626   108.52478   177.88530
   57    55 S   HC   _H14    66     1.09858   108.14727   -68.60261
   58    53 S   CT   _C22    47     1.53931   112.04632    76.26324
   59    58 S   HC   _H25    48     1.09616   109.56303   -70.92874
   60    58 S   HC   _H26    49     1.09676   110.23192    46.38535
   61    33 S   CT   _C8_    67     1.62574   111.33170    79.91331
   62    58 S   CT   _C21    50     1.53412   111.12630   168.57706
   63    62 S   HC   _H9_    51     1.09624   108.58284   146.45642
   64    61 S   CT   _C7_    68     1.58849   104.27108   119.57155
   65    64 S   HC   _H4_    69     1.09933   107.84196    79.43441
   66    61 S   CT   _C24    92     1.55602   116.23041    -0.54429
   67    66 S   HC   _H31    93     1.09283   113.19445    59.44667
   68    66 S   HC   _H32    94     1.09289   112.18919   -63.34992
   69    66 S   HC   _H33    95     1.09657   111.13285   179.53228
   70    62 S   CT   _C20    52     1.53041   113.26672    23.61864
   71    70 S   HC   _H23    53     1.09749   110.77883   -86.30566
   72    70 S   HC   _H24    54     1.09693   109.07088   158.17212
   73    64 S   CM   _C25    70     1.52284   118.43570  -163.14180
   74    64 S   CT   _C6_    80     1.54847   104.23202   -29.78991
   75    74 S   HC   _H3_    81     1.09820   110.37473   165.53004
   76    62 S   OH   _O36   100     1.42679   108.92440   -97.39933
   77    76 S   HO   _H27   101     0.97248   107.47033  -178.58059
   78    70 S   CT   _C19    55     1.52313   111.25904    36.62239
   79    78 S   HC   _H21    56     1.09793   107.44146    60.53424
   80    78 S   HC   _H22    57     1.09681   109.12702   174.86157
   81    73 S   CM   _C26    71     1.44810   117.33193   -83.67168
   82    81 S   HC   _H34    72     1.08487   118.95873     0.25023
   83    74 S   OS   _O34    85     1.44106   110.85094   -70.57567
   84    53 S   CT   _C18    58     1.56785   113.15500   -50.38863
   85    81 S   CM   _C27    73     1.33617   121.71690  -179.20919
   86    85 S   HC   _H35    74     1.08343   121.55173  -180.00000
   87    83 S   CO4  _C5_    86     1.36249   118.08407  -144.99431
   88    87 S   O    _O33    87     1.22317   126.91304     4.55096
   89    85 S   CO4  _C28    75     1.47377   120.57426     0.40300
   90    89 S   O    _O37    76     1.22644   120.67198  -179.16117
   91    87 S   CT   _C4_    88     1.49887   109.16613  -176.14105
   92    91 S   HC   _H10    89     1.09289   109.82804   -61.54314
   93    91 S   HC   _H11    90     1.09374   109.37180   179.32856
   94    91 S   HC   _H12    91     1.09297   109.83429    60.34210
   95    84 S   CT   _C23    96     1.55231   107.14896   -76.45806
   96    95 S   HC   _H28    97     1.09352   112.32494    61.53111
   97    95 S   HC   _H29    98     1.09648   110.66815   -58.17959
   98    95 S   HC   _H30    99     1.09352   112.61117  -177.26763
   99    89 S   OS   _O38    77     1.36720   117.01890     1.19828
  100    73 S   CM   _C29    78     1.33969   126.42438    99.50388
  101   100 S   HC   _H36    79     1.07789   126.86803    -2.03269
  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
  27   2   1   1  24  10  14   6   5  13   6   5  21   8  11   5
   4  12   6   5  16   7  12   4   3  12   6   5  12  10   6  16
   7   5   2   1   1   9   6   5  11   7   2   2   1   7   3   2
   8   4   6   4   5   3   5   4   4   2   3   2   1   1   3   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    55    61    64    74    39    40    41    66  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    84    45    46    50    55    56    57    61    64    65    73    74    75    39    40    41    83    66    67    68    69  
   35    36  
   36  
    0  
   38    42    43    44    47    48    49    53    78    84    45    46    50    51    52    55    61    64    74    39    40    41    66    95  
   42    43    44    47    84    45    46    50    61    39  
   40    41    83    87    66    42    45    55    61    64    65    73    74    75  
   41    83    61    64    74    75  
   83    61    64    74    75  
   43    44    47    48    49    53    54    58    84    45    46    50    61  
   44    47    48    49    53    45  
   47    48    49    53    45  
   46    50    51    52    55    56    57    61    95    96    97    98    47    53    54    58    70    78    79    80    84  
   50    51    52    55    95    53    78    84  
   48    49    53    54    58    59    60    62    78    84    95  
   49    53    54    58    84  
   53    54    58    84  
   51    52    55    56    57    61    64    66    95    53    78    84  
   52    55    56    57    61    84  
   55    56    57    61    84  
   54    58    59    60    62    63    70    78    79    80    84    95    96    97    98    76  
   58    59    60    62    78    84    95  
   56    57    61    64    65    73    74    66    67    68    69    84  
   57    61    64    66  
   61    64    66  
   59    60    62    63    70    71    72    78    84    95    76    77  
   60    62    63    70    84    76  
   62    63    70    84    76  
   64    65    73    81   100    74    75    83    66    67    68    69  
   63    70    71    72    78    79    80    84    76    77  
   70    71    72    78    76    77  
   65    73    81    82    85    99   100   101    74    75    83    87    66    67    68    69  
   73    81   100    74    75    83    66  
   67    68    69    73    74  
   68    69  
   69  
    0  
   71    72    78    79    80    84    95    76    77  
   72    78    79    80    84    76  
   78    79    80    84    76  
   81    82    85    86    89    99   100   101    74    75    83  
   75    83    87    88    91    81   100  
   83    87  
   77    78  
    0  
   79    80    84    95    96    97    98  
   80    84    95  
   84    95  
   82    85    86    89    90    99   100   101  
   85    86    89   100  
   87    88    91    92    93    94  
   95    96    97    98  
   86    89    90    99   100  
   89    90    99  
   88    91    92    93    94  
   91    92    93    94  
   90    99   100   101  
   99   100  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98  
   97    98  
   98  
    0  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
  100   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    61   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    84   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    70   268.000  1.529
   62    76   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    45   268.000  1.529
   84    95   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    64   268.000  1.529
   61    66   268.000  1.529
   64    65   340.000  1.090
   64    73   317.000  1.510
   64    74   268.000  1.529
   73    81   380.000  1.444
   73   100   549.000  1.340
   81    82   340.000  1.080
   81    85   549.000  1.340
   85    86   340.000  1.080
   85    89   320.000  1.462
   89    90   570.000  1.229
   89    99   214.000  1.327
   99   100   440.000  1.360
  100   101   340.000  1.080
   74    75   340.000  1.090
   74    39   268.000  1.529
   74    83   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   83    87   214.000  1.327
   87    88   570.000  1.229
   87    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   76    77   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    61    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    61    55    58.35000  112.70000
   33    61    64    58.35000  112.70000
   33    61    66    58.35000  112.70000
   33    39    74    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    45    84    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    50    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    53    84    58.35000  112.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    62    58.35000  112.70000
   53    84    78    58.35000  112.70000
   53    84    45    58.35000  112.70000
   53    84    95    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    70    58.35000  112.70000
   58    62    76    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    78    58.35000  112.70000
   62    76    77    55.00000  108.50000
   70    62    63    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    84    45    58.35000  112.70000
   78    84    95    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    53    54    37.50000  110.70000
   84    53    58    58.35000  112.70000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    45    46    37.50000  110.70000
   84    45    50    58.35000  112.70000
   84    95    96    37.50000  110.70000
   84    95    97    37.50000  110.70000
   84    95    98    37.50000  110.70000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    61    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    33    37    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    73    70.00000  112.02700
   61    64    74    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    73    81    70.00000  124.00000
   64    73   100    70.00000  124.00000
   64    74    75    37.50000  110.70000
   64    74    39    58.35000  112.70000
   64    74    83    50.00000  109.50000
   73    64    65    35.00000  109.50000
   73    81    82    35.00000  120.00000
   73    81    85    70.00000  123.01800
   73   100    99    80.00000  120.01400
   73   100   101    35.00000  120.00000
   81    85    86    35.00000  120.00000
   81    85    89    65.00000  118.96000
   85    81    82    35.00000  120.00000
   85    89    90    80.00000  123.72100
   85    89    99    90.00000  111.29400
   89    85    86    40.00000  117.72500
   89    99   100    90.00000  114.22900
   99    89    90    83.00000  123.40000
   99   100   101    55.00000  109.52600
  100    73    81    70.00000  123.01800
   74    64    65    37.50000  110.70000
   74    64    73    70.00000  112.02700
   74    39    40    50.00000  109.50000
   74    39    41    37.50000  110.70000
   74    83    87    83.00000  116.90000
   39    33    37    58.35000  112.70000
   39    33    61    58.35000  112.70000
   39    74    75    37.50000  110.70000
   41    39    40    45.00000  125.66300
   83    74    75    35.00000  109.50000
   83    74    39    50.00000  109.50000
   83    87    88    83.00000  123.40000
   83    87    91    81.00000  111.40000
   87    91    92    35.00000  109.50000
   87    91    93    35.00000  109.50000
   87    91    94    35.00000  109.50000
   91    87    88    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   66    61    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   95    84    45    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   76    62    63    35.00000  109.50000
   76    62    70    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
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   74    64    73   100  -0.50650  1.0 3.0
   74    83    87    88   3.00000 -1.0 2.0
   74    83    87    91   1.63150  1.0 1.0
   74    83    87    91   2.92000 -1.0 2.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.23400  1.0 3.0
   75    74    39    41   0.15000  1.0 3.0
   75    74    83    87   0.08050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    61    55   0.56750  1.0 1.0
   39    33    61    55  -0.07550 -1.0 2.0
   39    33    61    55   0.20000  1.0 3.0
   39    33   -61    64   0.56750  1.0 1.0
   39    33   -61    64  -0.07550 -1.0 2.0
   39    33   -61    64   0.20000  1.0 3.0
   39    33    61    66   0.56750  1.0 1.0
   39    33    61    66  -0.07550 -1.0 2.0
   39    33    61    66   0.20000  1.0 3.0
   39    74    83    87  -0.25900  1.0 1.0
   39    74    83    87  -0.47000 -1.0 2.0
   39    74    83    87   0.11750  1.0 3.0
   83    74    39    33   0.62750  1.0 1.0
   83    74    39    33  -0.30950 -1.0 2.0
   83    74    39    33   0.27300  1.0 3.0
   83    74    39    40   1.11900  1.0 1.0
   83    74    39    40  -1.16350 -1.0 2.0
   83    74    39    40  -0.34150  1.0 3.0
   83    74    39    41   0.23400  1.0 3.0
   83    87    91    92   0.00000  1.0 1.0
   83    87    91    93   0.00000  1.0 1.0
   83    87    91    94   0.00000  1.0 1.0
   88    87    91    92   0.00000  1.0 1.0
   88    87    91    93   0.00000  1.0 1.0
   88    87    91    94   0.00000  1.0 1.0
   66    61    64    65   0.15000  1.0 3.0
   66    61    64    73   0.34400  1.0 1.0
   66    61    64    73   0.09450 -1.0 2.0
   66    61    64    73   0.11100  1.0 3.0
   66    61    64    74   0.56750  1.0 1.0
   66    61    64    74  -0.07550 -1.0 2.0
   66    61    64    74   0.20000  1.0 3.0
   95    84    45    37   0.56750  1.0 1.0
   95    84    45    37  -0.07550 -1.0 2.0
   95    84    45    37   0.20000  1.0 3.0
   95    84    45    46   0.15000  1.0 3.0
   95    84    45    50   0.56750  1.0 1.0
   95    84    45    50  -0.07550 -1.0 2.0
   95    84    45    50   0.20000  1.0 3.0
   76    62    70    71   0.23400  1.0 3.0
   76    62    70    72   0.23400  1.0 3.0
   76    62    70    78   0.86500  1.0 1.0
   76    62    70    78  -0.17500 -1.0 2.0
   76    62    70    78   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   64    81    73   100   1.10000 -1.0 2.0
   73    82    81    85   1.10000 -1.0 2.0
   89    86    85    81   1.10000 -1.0 2.0
   85    99    89    90  10.50000 -1.0 2.0
   99   101   100    73   1.10000 -1.0 2.0
   83    91    87    88  10.50000 -1.0 2.0
END
