* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    209    338     629
    1     0 S   NP   _N1_     1    29.09540    91.04145   -21.84007
    2     1 S   H    _HN1     2     1.02821    13.78146   122.58062
    3     1 S   H    _H1_     3     1.02780    95.60968   -83.26088
    4     1 S   H    _H2_     4     1.02977   106.38555    27.69459
    5     1 S   CT   _CA1     5     1.50189   122.54640   155.82043
    6     5 S   HC   _HA1     6     1.09580   105.20009    51.31990
    7     5 S   CO3  _C1_     7     1.53798   112.47944   -68.70585
    8     7 S   O2Z  _O11     8     1.26357   115.03638   -39.94393
    9     7 S   O2Z  _O12     9     1.26246   114.96230   139.12707
   10     5 S   CT   _CB1    10     1.53045   107.25670   169.11566
   11    10 S   HC   HB11    11     1.09829   109.16612   -51.09285
   12    10 S   HC   HB12    12     1.09806   110.37427    65.27386
   13    10 S   CT   _CG1    13     1.53025   112.95656  -172.30895
   14    13 S   HC   HG11    14     1.09591   110.34709   -64.57108
   15    13 S   HC   HG12    15     1.09637   110.15697    54.79777
   16    13 S   C    _CD1    16     1.51789   112.08757   174.95904
   17    16 S   O    _OE1    17     1.22773   123.16222    -6.60099
   18    16 S   N    _N2_    18     1.38690   111.84524   173.69964
   19    18 S   H    _HN2    19     1.01592   119.21883     0.92408
   20    18 S   CT1  _CA2    20     1.46237   123.03806  -178.82015
   21    20 S   HC   _HA2    21     1.09770   109.05328   -11.46618
   22    20 S   C    _C2_    22     1.53398   108.83635  -126.84649
   23    22 S   O    _O2_    23     1.23032   122.36393  -150.36324
   24    20 S   CT   _CB2    32     1.53882   112.06796   110.08462
   25    24 S   HC   HB21    33     1.09445   109.28909    59.56374
   26    24 S   HC   HB22    34     1.09027   108.66024   178.50839
   27    22 S   N    _N3_    24     1.38388   113.53884    37.35763
   28    27 S   H    _HN3    25     1.01646   119.47383    -3.91191
   29    24 S   S    _SG2    35     1.82444   110.66331   -60.35671
   30    27 S   CT   _CA3    26     1.45286   123.04535   176.79551
   31    30 S   HC   HA31    27     1.09555   107.56594   -62.46528
   32    30 S   HC   HA32    28     1.09560   107.87911    53.90423
   33    29 S   CT   _C19    36     1.98206   106.38387  -165.17963
   34    30 S   CO3  _C3_    29     1.52915   114.21529   175.86137
   35    34 S   O2Z  _O31    30     1.26354   116.07992    -0.71682
   36    34 S   O2Z  _O32    31     1.26438   114.40422   179.32334
   37    33 S   CT   _C18    37     1.59607   105.27934   -42.98968
   38    37 S   OM   _O40    38     1.32105   114.95657  -161.97070
   39    37 S   HC   _H7_    39     1.09878   106.14984   -30.38504
   40    33 S   CT   _C20    62     1.67228   101.57656  -162.90616
   41    37 S   CO4  _C17    40     1.53039   112.91478    82.36348
   42    41 S   O    _O38    41     1.23073   122.34592  -145.58926
   43    40 S   CO4  _C21    63     1.55504   110.52144    51.54791
   44    43 S   O    _O39    64     1.23527   122.01727    40.69780
   45    40 S   CT   _C23    99     1.55928   113.74453   166.80034
   46    45 S   HC   _H19   100     1.08933   113.76804    21.88925
   47    45 S   HC   _H20   101     1.09690   112.38286   -99.28826
   48    45 S   HC   _H21   102     1.08956   112.85627   140.81385
   49    41 S   OS   _O37    42     1.35447   116.84340    33.02662
   50    43 S   CT   _C22    65     1.51057   119.91009  -147.00971
   51    50 S   HC   _H17    66     1.09461   105.47317   162.37712
   52    50 S   HC   _H18    67     1.09207   108.85512   -83.85622
   53    49 S   CT   _C16    43     1.43960   119.43138    18.53002
   54    53 S   HC   _H6_    44     1.09783   107.18890    55.60734
   55    50 S   CT   _C10    68     1.52986   112.24394    42.41325
   56    55 S   HC   _H4_    69     1.10108   104.64918    50.18184
   57    53 S   C5BC _C24    45     1.50914   108.95192   167.91571
   58    33 S   CT   _C15    53     1.64254   110.31809    79.69771
   59    94 S   CT   _C11    70     1.60500   116.56042   166.13644
   60    55 S   CT   _C9_    79     1.57325   113.31875   161.99732
   61    57 S   C5BC _C25    46     1.42581   127.11137  -142.93405
   62    61 S   HA   _H22    47     1.08090   127.30974    -1.18729
   63    58 S   CT   _C14    54     1.55935   111.99874   121.58771
   64    63 S   HC   _H15    55     1.09857   110.28870  -173.47238
   65    63 S   HC   _H16    56     1.09349   110.47137    73.13498
   66    59 S   CT   _C6_    71     1.58111   113.43461    54.47965
   67    66 S   HC   _H3_    72     1.09764   107.27975  -169.25777
   68    60 S   CT   _C30    80     1.53302   113.96838    62.67077
   69    68 S   HC   _H31    81     1.09731   110.48713  -170.90914
   70    68 S   HC   _H32    82     1.09207   111.70911    72.83558
   71    68 S   HC   _H33    83     1.09336   112.47519   -50.60645
   72    60 S   CT   _C31    84     1.54499   111.06526   -59.11028
   73    72 S   HC   _H34    85     1.09687   110.77298  -167.16042
   74    72 S   HC   _H35    86     1.09379   112.57941    72.31927
   75    72 S   HC   _H36    87     1.09549   110.95215   -49.43023
   76    59 S   CT   _C29    95     1.55082   111.11658   -63.65813
   77    76 S   HC   _H28    96     1.09402   111.70247    53.56890
   78    76 S   HC   _H29    97     1.08961   113.80656   -68.28984
   79    76 S   HC   _H30    98     1.09236   111.99456   171.55599
   80    58 S   CT   _C28   103     1.55985   114.24181     2.30172
   81    80 S   HC   _H25   104     1.09226   112.43037   -68.82953
   82    80 S   HC   _H26   105     1.09660   111.51321   172.14152
   83    80 S   HC   _H27   106     1.09388   112.63818    54.65890
   84    61 S   C5A  _C26    48     1.37438   106.67985   178.97035
   85    84 S   HA   _H23    49     1.08020   133.82323   179.70792
   86    63 S   CT   _C13    57     1.52845   115.98004   -52.10431
   87    86 S   HC   _H13    58     1.09395   107.79679   158.19941
   88    86 S   HC   _H14    59     1.09635   106.60044   -87.82627
   89    66 S   CT   _C7_    73     1.53347   114.19833    70.38400
   90    89 S   HC   _H11    74     1.09333   111.50454   -47.92474
   91    89 S   HC   _H12    75     1.09635   109.48894  -165.74257
   92    66 S   OS   _O34    88     1.44474   110.82636   -53.90627
   93    84 S   OA   _O41    50     1.35652   110.48279    -0.67666
   94    86 S   CT   _C12    60     1.54000   115.13021    32.72967
   95    94 S   HC   _H5_    61     1.09191   102.77202   -83.78211
   96    89 S   CO4  _C8_    76     1.51044   113.40140    75.49885
   97    96 S   O    _O35    77     1.22539   123.08673  -179.42054
   98    92 S   CO4  _C5_    89     1.36240   118.25952  -150.43000
   99    98 S   O    _O33    90     1.22295   126.47570    -0.52897
  100    57 S   C5A  _C27    51     1.38258   127.91520    34.49143
  101   100 S   HA   _H24    52     1.08076   133.36043     1.14893
  102    96 S   OS   _O36    78     1.35593   113.59259     6.27651
  103    98 S   CT   _C4_    91     1.49833   109.37447   179.60287
  104   103 S   HC   _H8_    92     1.09297   109.81182   -60.42437
  105   103 S   HC   _H9_    93     1.09373   109.37898  -179.46808
  106   103 S   HC   _H10    94     1.09292   109.80673    61.42339
  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
  29   2   1   1  13   6   5  23   6   2  16   6   9   3   2   1
   8  12   5   4  17   6  24   8  10  13  22  15   6   4  11   6
   5  18   8   9   4   3   2   5   3   2   1   8   3   2   1   4
   2   1   1   4   2   4   3   2   8   5   4   8   2   1   1   2
   1   5   4   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    53    58    63    94    40    43    45    80  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    49    53    54    57    58    63    64    65    86    94    95    40    43    44    50    59    45    46    47    48    80    81    82    83  
   35    36  
   36  
    0  
   38    39    41    42    49    53    58    63    94    40    43    45    80  
   39    41    42    49    58    40  
   41    42    49    58    40  
   43    44    50    51    52    55    59    66    76    45    46    47    48    80    41    53    58    63    86    87    88    94    95  
   42    49    53    54    57    58  
   49    53  
   44    50    51    52    55    56    59    60    45    46    47    48    58    86    94    95  
   50    51    52    55    45    94  
   46    47    48    50    58    59    86    94    95  
   47    48    94  
   48    94  
   94  
   53    54    57    61   100    58    63    80  
   51    52    55    56    59    66   102    60    68    72    76    94  
   52    55    56    59    60  
   55    56    59    60  
   54    57    61    62    84    93   100   101    58    63    64    65    86    80    81    82    83  
   57    61   100    58    63    80  
   56    59    66    67    89    96   102    60    68    69    70    71    72    73    74    75    92    76    77    78    79    86    94    95  
   59    66   102    60    68    72    76    94  
   61    62    84    85    93   100   101    58    63    80  
   63    64    65    86    87    88    94    80    81    82    83    61   100  
   66    67    89    90    91    96   102    60    68    72    92    98    76    77    78    79    63    86    87    88    94    95  
   68    69    70    71    72    73    74    75    76    66    89    94    96    97   102  
   62    84    85    93   100   101  
   84    85    93   100  
   64    65    86    87    88    94    95    80    81    82    83  
   65    86    87    88    94    80  
   86    87    88    94    80  
   67    89    90    91    96    97   102    92    98    99   103    76    77    78    79    86    94    95  
   89    90    91    96    92    98    76    94  
   69    70    71    72    73    74    75    96   102  
   70    71    72   102  
   71    72   102  
   72   102  
   73    74    75    96   102  
   74    75   102  
   75   102  
  102  
   77    78    79    86    89    92    94    95  
   78    79    94  
   79    94  
   94  
   81    82    83    86  
   82    83  
   83  
    0  
   85    93   100   101  
   93   100  
   87    88    94    95  
   88    94    95  
   94    95  
   90    91    96    97   102    92    98    94  
   91    96    97   102    92  
   96    97   102    92  
   98    99   103   104   105   106    94    96  
  100   101  
   95  
    0  
   97   102  
  102  
   99   103   104   105   106  
  103   104   105   106  
  101  
    0  
    0  
  104   105   106  
  105   106  
  106  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  102   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   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    58   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    57   285.000  1.502
   53    58   268.000  1.529
   57    61   469.000  1.424
   57   100   546.000  1.367
   61    62   367.000  1.080
   61    84   546.000  1.367
   84    85   367.000  1.080
   84    93   340.000  1.360
   93   100   340.000  1.360
  100   101   367.000  1.080
   58    63   268.000  1.529
   58    80   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    94   268.000  1.529
   94    95   340.000  1.090
   94    40   268.000  1.529
   94    59   268.000  1.529
   40    43   317.000  1.522
   40    45   268.000  1.529
   43    44   570.000  1.229
   43    50   317.000  1.522
   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    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    76   268.000  1.529
   66    67   340.000  1.090
   66    89   268.000  1.529
   66    92   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    96   317.000  1.522
   96    97   570.000  1.229
   96   102   214.000  1.327
  102    60   320.000  1.410
   60    68   268.000  1.529
   60    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   92    98   214.000  1.327
   98    99   570.000  1.229
   98   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    58    53    58.35000  112.70000
   33    58    63    58.35000  112.70000
   33    58    80    58.35000  112.70000
   33    40    94    58.35000  112.70000
   33    40    43    63.00000  111.10000
   33    40    45    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    49    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    49    53    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    57    85.00000  111.85700
   49    53    58    50.00000  109.50000
   53    57    61    60.00000  130.00000
   53    57   100    60.00000  130.00000
   53    58    63    58.35000  112.70000
   53    58    80    58.35000  112.70000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  127.50000
   57    61    84    70.00000  107.30000
   57   100    93    70.00000  110.60000
   57   100   101    35.00000  132.10000
   61    84    85    35.00000  132.10000
   61    84    93    70.00000  110.60000
   84    61    62    35.00000  125.70000
   84    93   100    70.00000  106.50000
   93    84    85    35.00000  113.40000
   93   100   101    35.00000  113.40000
  100    57    61    70.00000  107.30000
   58    33    37    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    57    70.00000  112.17500
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    86    58.35000  112.70000
   58    80    81    37.50000  110.70000
   58    80    82    37.50000  110.70000
   58    80    83    37.50000  110.70000
   63    86    87    37.50000  110.70000
   63    86    88    37.50000  110.70000
   63    86    94    58.35000  112.70000
   65    63    64    33.00000  107.80000
   86    63    64    37.50000  110.70000
   86    63    65    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94    40    58.35000  112.70000
   86    94    59    58.35000  112.70000
   88    86    87    33.00000  107.80000
   94    86    87    37.50000  110.70000
   94    86    88    37.50000  110.70000
   94    40    43    63.00000  111.10000
   94    40    45    58.35000  112.70000
   94    59    55    58.35000  112.70000
   94    59    66    58.35000  112.70000
   94    59    76    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    94    95    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    50    70.00000  116.00000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    55    63.00000  111.10000
   50    43    44    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    60    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    59    66    58.35000  112.70000
   55    59    76    58.35000  112.70000
   55    60   102    50.00000  109.50000
   55    60    68    58.35000  112.70000
   55    60    72    58.35000  112.70000
   59    94    95    37.50000  110.70000
   59    94    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    89    58.35000  112.70000
   59    66    92    50.00000  109.50000
   59    76    77    37.50000  110.70000
   59    76    78    37.50000  110.70000
   59    76    79    37.50000  110.70000
   66    89    90    37.50000  110.70000
   66    89    91    37.50000  110.70000
   66    89    96    63.00000  111.10000
   66    92    98    83.00000  116.90000
   89    66    67    37.50000  110.70000
   89    96    97    80.00000  120.40000
   89    96   102    81.00000  111.40000
   91    89    90    33.00000  107.80000
   96    89    90    35.00000  109.50000
   96    89    91    35.00000  109.50000
   96   102    60    83.00000  116.90000
  102    96    97    83.00000  123.40000
  102    60    68    50.00000  109.50000
  102    60    72    50.00000  109.50000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   60    72    73    37.50000  110.70000
   60    72    74    37.50000  110.70000
   60    72    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    60    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   92    66    67    35.00000  109.50000
   92    66    89    50.00000  109.50000
   92    98    99    83.00000  123.40000
   92    98   103    81.00000  111.40000
   98   103   104    35.00000  109.50000
   98   103   105    35.00000  109.50000
   98   103   106    35.00000  109.50000
  103    98    99    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   76    59    66    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   45    40    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   80    58    63    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
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
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   59    55    60    72  -0.07550 -1.0 2.0
   59    55    60    72   0.20000  1.0 3.0
   59    66    89    90   0.15000  1.0 3.0
   59    66    89    91   0.15000  1.0 3.0
   59    66    89    96  -0.95700  1.0 1.0
   59    66    89    96  -0.18200 -1.0 2.0
   59    66    89    96   0.29450  1.0 3.0
   59    66    92    98  -0.25900  1.0 1.0
   59    66    92    98  -0.47000 -1.0 2.0
   59    66    92    98   0.11750  1.0 3.0
   66    59    76    77   0.15000  1.0 3.0
   66    59    76    78   0.15000  1.0 3.0
   66    59    76    79   0.15000  1.0 3.0
   66    89    96    97   0.30150 -1.0 2.0
   66    89    96   102   0.36750  1.0 3.0
   66    92    98    99   3.00000 -1.0 2.0
   66    92    98   103   1.63150  1.0 1.0
   66    92    98   103   2.92000 -1.0 2.0
   67    66    89    90   0.15000  1.0 3.0
   67    66    89    91   0.15000  1.0 3.0
   67    66    89    96  -0.11250  1.0 3.0
   67    66    92    98   0.08050  1.0 3.0
   89    66    92    98  -0.25900  1.0 1.0
   89    66    92    98  -0.47000 -1.0 2.0
   89    66    92    98   0.11750  1.0 3.0
   89    96   102    60   1.63150  1.0 1.0
   89    96   102    60   2.92000 -1.0 2.0
   90    89    96    97   0.00000  1.0 1.0
   90    89    96   102   0.00000  1.0 1.0
   91    89    96    97   0.00000  1.0 1.0
   91    89    96   102   0.00000  1.0 1.0
   96   102    60    55  -0.25900  1.0 1.0
   96   102    60    55  -0.47000 -1.0 2.0
   96   102    60    55   0.11750  1.0 3.0
   96   102    60    68  -0.25900  1.0 1.0
   96   102    60    68  -0.47000 -1.0 2.0
   96   102    60    68   0.11750  1.0 3.0
   96   102    60    72  -0.25900  1.0 1.0
   96   102    60    72  -0.47000 -1.0 2.0
   96   102    60    72   0.11750  1.0 3.0
   97    96   102    60   3.00000 -1.0 2.0
  102    60    68    69   0.23400  1.0 3.0
  102    60    68    70   0.23400  1.0 3.0
  102    60    68    71   0.23400  1.0 3.0
  102    60    72    73   0.23400  1.0 3.0
  102    60    72    74   0.23400  1.0 3.0
  102    60    72    75   0.23400  1.0 3.0
   60    55    59    94   0.56750  1.0 1.0
   60    55    59    94  -0.07550 -1.0 2.0
   60    55    59    94   0.20000  1.0 3.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55    59    76   0.56750  1.0 1.0
   60    55    59    76  -0.07550 -1.0 2.0
   60    55    59    76   0.20000  1.0 3.0
   68    60    72    73   0.15000  1.0 3.0
   68    60    72    74   0.15000  1.0 3.0
   68    60    72    75   0.15000  1.0 3.0
   72    60    68    69   0.15000  1.0 3.0
   72    60    68    70   0.15000  1.0 3.0
   72    60    68    71   0.15000  1.0 3.0
   92    66    89    90   0.23400  1.0 3.0
   92    66    89    91   0.23400  1.0 3.0
   92    66    89    96  -0.09450  1.0 1.0
   92    66    89    96  -1.12950 -1.0 2.0
   92    66    89    96   0.54000  1.0 3.0
   92    98   103   104   0.00000  1.0 1.0
   92    98   103   105   0.00000  1.0 1.0
   92    98   103   106   0.00000  1.0 1.0
   99    98   103   104   0.00000  1.0 1.0
   99    98   103   105   0.00000  1.0 1.0
   99    98   103   106   0.00000  1.0 1.0
   76    59    66    67   0.15000  1.0 3.0
   76    59    66    89   0.56750  1.0 1.0
   76    59    66    89  -0.07550 -1.0 2.0
   76    59    66    89   0.20000  1.0 3.0
   76    59    66    92   0.62750  1.0 1.0
   76    59    66    92  -0.30950 -1.0 2.0
   76    59    66    92   0.27300  1.0 3.0
   45    40    43    44   0.30150 -1.0 2.0
   45    40    43    50   0.60050  1.0 1.0
   45    40    43    50   0.05600 -1.0 2.0
   45    40    43    50   0.26150  1.0 3.0
   80    58    63    64   0.15000  1.0 3.0
   80    58    63    65   0.15000  1.0 3.0
   80    58    63    86   0.56750  1.0 1.0
   80    58    63    86  -0.07550 -1.0 2.0
   80    58    63    86   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   61   100    57    53   4.00000 -1.0 2.0
   84    62    61    57   1.10000 -1.0 2.0
   93    85    84    61   1.10000 -1.0 2.0
   93   101   100    57   1.10000 -1.0 2.0
   40    50    43    44  10.50000 -1.0 2.0
   89   102    96    97  10.50000 -1.0 2.0
   92   103    98    99  10.50000 -1.0 2.0
END
