* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    216    322     630
    1     0 S   NP   _N1_     1    28.84153    94.73532   -24.52516
    2     1 S   H    _HN1     2     1.02788   111.88398   -98.16973
    3     1 S   H    _H1_     3     1.02949    80.31405     7.84142
    4     1 S   H    _H2_     4     1.02829    27.46239   174.99970
    5     1 S   CT   _CA1     5     1.50112   127.74759   116.22988
    6     5 S   HC   _HA1     6     1.09574   105.19351    84.23188
    7     5 S   CO3  _C1_     7     1.53784   112.43415   -36.00739
    8     7 S   O2Z  _O11     8     1.26372   115.01384   -43.41794
    9     7 S   O2Z  _O12     9     1.26237   114.94172   135.68127
   10     5 S   CT   _CB1    10     1.53076   107.41743  -157.79918
   11    10 S   HC   HB11    11     1.09834   109.37023   -49.70856
   12    10 S   HC   HB12    12     1.09812   110.45877    66.89753
   13    10 S   CT   _CG1    13     1.52997   112.60423  -170.67003
   14    13 S   HC   HG11    14     1.09581   110.65098   -65.74813
   15    13 S   HC   HG12    15     1.09671   109.76861    53.48421
   16    13 S   C    _CD1    16     1.51808   112.17645   173.94482
   17    16 S   O    _OE1    17     1.22740   123.25596     7.82290
   18    16 S   N    _N2_    18     1.38631   111.68561  -172.21906
   19    18 S   H    _HN2    19     1.01588   119.02102     1.47790
   20    18 S   CT1  _CA2    20     1.46266   123.47257   177.64466
   21    20 S   HC   _HA2    21     1.09732   109.26498     5.48644
   22    20 S   C    _C2_    22     1.53684   109.04618  -110.07114
   23    22 S   O    _O2_    23     1.23063   122.29232  -151.66306
   24    20 S   CT   _CB2    32     1.53309   111.33003   127.35657
   25    24 S   HC   HB21    33     1.09482   109.62558    56.51141
   26    24 S   HC   HB22    34     1.09453   110.33028   175.64904
   27    22 S   N    _N3_    24     1.38322   113.89671    35.90798
   28    27 S   H    _HN3    25     1.01552   119.57362    -3.52548
   29    24 S   S    _SG2    35     1.82820   111.47879   -64.68410
   30    27 S   CT   _CA3    26     1.45274   123.23209   177.14535
   31    30 S   HC   HA31    27     1.09549   107.53260   -64.24606
   32    30 S   HC   HA32    28     1.09559   107.96667    52.19477
   33    29 S   CT   _C28    36     1.83699    99.64737   178.12508
   34    33 S   HC   _H10    37     1.09439   106.02094    49.55264
   35    30 S   CO3  _C3_    29     1.52964   114.06601   174.18739
   36    35 S   O2Z  _O31    30     1.26381   116.08218    -0.19683
   37    35 S   O2Z  _O32    31     1.26429   114.41582   179.85598
   38    33 S   CM   _C26    38     1.53382   111.26020   -72.34525
   39    33 S   CT   _C29   111     1.53082   108.89584   162.85772
   40    39 S   HC   _H34   112     1.09568   112.70388    57.77076
   41    39 S   HC   _H35   113     1.09635   110.85721   -62.91289
   42    39 S   HC   _H36   114     1.09610   110.51702   178.42928
   43    38 S   CMA  _C25    39     1.36822   122.81661   112.75661
   44    43 S   OM   _O40    40     1.26909   125.49289   179.93147
   45    38 S   CT   _C27   107     1.52161   115.37813   -68.67246
   46    45 S   HC   _H31   108     1.09456   110.32842   -66.46199
   47    45 S   HC   _H32   109     1.09426   113.47228   173.64930
   48    45 S   HC   _H33   110     1.09405   111.08261    53.97623
   49    43 S   OS   _O39    41     1.41729   111.63403    -1.87618
   50    49 S   CT   _C13    42     1.42971   116.27886   140.40730
   51    50 S   HC   _H6_    43     1.09577   112.87418    46.70615
   52    50 S   CM   _C14    44     1.50352   110.26821   -80.12041
   53    52 S   HC   _H21    45     1.08107   123.63061    41.72048
   54    52 S   CM   _C15    46     1.34078   111.61150  -135.40521
   55    54 S   CT   _C16    47     1.52536   111.14833    -4.54467
   56    55 S   HC   _H7_    48     1.09382   109.98472   142.06940
   57    54 S   CT   _C24   103     1.48821   126.00734   174.39524
   58    57 S   HC   _H28   104     1.09239   111.66197   113.35889
   59    57 S   HC   _H29   105     1.09528   111.29988    -6.76932
   60    57 S   HC   _H30   106     1.09453   110.18610  -125.96501
   61    50 S   CT   _C12    49     1.55294   109.46394   171.15071
   62    61 S   HC   _H5_    50     1.10243   104.86559    42.69358
   63    55 S   CT   _C17    59     1.54618   108.18257   -95.13738
   64    63 S   HC   _H8_    60     1.09781   108.96029    59.80287
   65    61 S   CT   _C11    51     1.55666   117.39479   -72.33767
   66    63 S   OS   _O36    61     1.44880   110.41169   -55.56731
   67    65 S   CT   _C10    52     1.54585   114.51708   -85.78254
   68    67 S   HC   _H19    53     1.09932   108.12845   171.70777
   69    67 S   HC   _H20    54     1.09735   110.78664    57.02251
   70    66 S   CO4  _C20    62     1.36266   112.70814  -115.86785
   71    70 S   O    _O35    63     1.22139   124.41364  -177.45416
   72    65 S   CT   _C30    92     1.54189   113.56843    36.86537
   73    72 S   HC   _H37    93     1.09217   112.07415    51.51359
   74    72 S   HC   _H38    94     1.09481   111.70402   -70.04005
   75    72 S   HC   _H39    95     1.09668   110.80797   169.50808
   76    65 S   OS   _O41    96     1.47130   109.52266   157.68775
   77    67 S   CT   _C9_    55     1.53505   113.80452   -69.15896
   78    77 S   HC   _H4_    56     1.09245   111.14029   -29.07322
   79    82 S   CT   _C19    64     1.53999   115.49155  -171.27427
   80    76 S   CO4  _C31    97     1.35987   123.85631   -66.08051
   81    80 S   O    _O42    98     1.22202   127.27213     1.22828
   82    77 S   CT   _C18    57     1.52226   112.07507    94.30987
   83    82 S   HC   _H9_    58     1.10013   105.71887    70.99654
   84    79 S   CT   _C21    65     1.53342   115.45771    41.70739
   85    84 S   HC   _H22    66     1.09505   111.49912   -69.42386
   86    84 S   HC   _H23    67     1.09743   110.26871   173.51714
   87    84 S   HC   _H24    68     1.09280   112.89985    53.66458
   88    79 S   OS   _O37    69     1.43652   112.69495   -79.17191
   89    77 S   OS   _O34    76     1.45015   108.78317  -148.70745
   90    80 S   CT   _C32    99     1.49902   109.01515  -179.05976
   91    90 S   HC   _H40   100     1.09299   109.80556   -61.22483
   92    90 S   HC   _H41   101     1.09377   109.38784   179.67979
   93    90 S   HC   _H42   102     1.09298   109.82476    60.64345
   94    88 S   CO4  _C22    70     1.36207   120.85292   -68.27324
   95    94 S   O    _O38    71     1.22282   126.78590    -0.20463
   96    89 S   CO4  _C8_    77     1.36374   117.51285    88.99974
   97    96 S   O    _O33    78     1.22389   125.98739    -1.67830
   98    94 S   CT   _C23    72     1.49852   109.37269   178.74181
   99    98 S   HC   _H25    73     1.09254   109.69693   -69.38267
  100    98 S   HC   _H26    74     1.09375   109.35039   171.15440
  101    98 S   HC   _H27    75     1.09318   109.99489    52.50616
  102    96 S   CT   _C6_    79     1.51778   109.59978   178.78131
  103   102 S   HC   _H3_    80     1.09747   109.11653    -9.67028
  104   102 S   CT   _C7_    81     1.52590   108.41669   108.24904
  105   104 S   HC   _H16    82     1.09574   111.40068    62.53165
  106   104 S   HC   _H17    83     1.09485   110.87240  -176.99131
  107   104 S   HC   _H18    84     1.09561   110.79192   -57.05742
  108   102 S   CT   _C5_    85     1.53436   110.88569  -129.35504
  109   108 S   HC   _H14    86     1.09682   109.41213  -172.69827
  110   108 S   HC   _H15    87     1.09685   110.54369   -55.24491
  111   108 S   CT   _C4_    88     1.52336   112.55813    66.79445
  112   111 S   HC   _H11    89     1.09400   111.49695   -62.64022
  113   111 S   HC   _H12    90     1.09464   110.08006   177.76192
  114   111 S   HC   _H13    91     1.09429   110.99366    58.28672
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  12   4  13  19   8   5   2   1   1  16   5  14   6
  15   8  15   7   6  11   4   6   3   2   1   7  10   5  11   5
   4   9   3   5   3   2   1   6   6   3   2   1   1   5   4  11
   4   3   2   1   1  12   8   7   3   2   1   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    61    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    61    62    65  
   51    52    53    54    55    56    61    62    65    67    63    72    76    57  
   52    53    54    55    61    62    65  
   53    54    55    56    61    62    65    63    57    58    59    60  
   54    55    61    57  
   55    56    61    62    65    82    63    64    66    57    58    59    60  
   56    61    62    65    67    77    82    83    63    64    66    70    79    72    76    57    58    59    60  
   61    62    65    82    63    64    66    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    67    68    69    77    82    63    64    66    72    73    74    75    76    80  
   65    67    63    72    76  
   64    66    70    71    79    84    88    89    65    67    77    78    82    83  
   66    70    79    77    82    83  
   67    68    69    77    78    82    89    72    73    74    75    76    80    81    90  
   70    71    79    84    88    77    82    83  
   68    69    77    78    82    83    79    89    96    72    73    74    75    76    80  
   69    77    78    82    89    72    76  
   77    78    82    89    72    76  
   71    79    84    85    86    87    88    94    77    82    83  
   79    84    88    82  
   73    74    75    76    80    77  
   74    75    76  
   75    76  
   76  
   80    81    90    91    92    93    77  
   78    82    83    79    84    88    89    96    97   102  
   82    83    79    89    96  
   84    85    86    87    88    94    95    98    89    82    83  
   81    90    91    92    93  
   90    91    92    93  
   83    84    85    86    87    88    94    89    96  
   84    88    89  
   85    86    87    88    94  
   86    87    88  
   87    88  
   88  
   94    95    98    99   100   101  
   96    97   102   103   104   108  
   91    92    93  
   92    93  
   93  
    0  
   95    98    99   100   101  
   98    99   100   101  
   97   102   103   104   105   106   107   108   109   110   111  
  102   103   104   108  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111   112   113   114  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111   112   113   114  
  110   111   112   113   114  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   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    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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    61   268.000  1.529
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    57   317.000  1.510
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   65    67   268.000  1.529
   65    72   268.000  1.529
   65    76   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    89   320.000  1.410
   82    83   340.000  1.090
   82    63   268.000  1.529
   82    79   268.000  1.529
   63    64   340.000  1.090
   63    66   320.000  1.410
   66    70   214.000  1.327
   70    71   570.000  1.229
   70    79   317.000  1.522
   79    84   268.000  1.529
   79    88   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    94   214.000  1.327
   94    95   570.000  1.229
   94    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   89    96   214.000  1.327
   96    97   570.000  1.229
   96   102   317.000  1.522
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    80   214.000  1.327
   80    81   570.000  1.229
   80    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    61    50.00000  109.50000
   50    52    53    35.00000  117.00000
   50    52    54    70.00000  124.00000
   50    61    55    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    65    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    57    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    61    70.00000  112.02700
   54    55    63    70.00000  112.02700
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    63    82    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    66    50.00000  109.50000
   61    50    51    37.50000  110.70000
   61    50    52    70.00000  112.02700
   61    55    56    37.50000  110.70000
   61    65    67    58.35000  112.70000
   61    65    72    58.35000  112.70000
   61    65    76    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    77    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    80    83.00000  116.90000
   67    77    78    37.50000  110.70000
   67    77    82    58.35000  112.70000
   67    77    89    50.00000  109.50000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    63    58.35000  112.70000
   77    82    79    58.35000  112.70000
   77    89    96    83.00000  116.90000
   82    77    78    37.50000  110.70000
   82    63    64    37.50000  110.70000
   82    63    66    50.00000  109.50000
   82    79    70    63.00000  111.10000
   82    79    84    58.35000  112.70000
   82    79    88    50.00000  109.50000
   63    55    56    37.50000  110.70000
   63    55    61    58.35000  112.70000
   63    82    83    37.50000  110.70000
   63    66    70    83.00000  116.90000
   66    63    64    35.00000  109.50000
   66    70    71    83.00000  123.40000
   66    70    79    81.00000  111.40000
   70    79    84    63.00000  111.10000
   70    79    88    90.00000  108.74100
   79    82    83    37.50000  110.70000
   79    82    63    58.35000  112.70000
   79    70    71    80.00000  120.40000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   79    88    94    83.00000  116.90000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    79    84    50.00000  109.50000
   88    94    95    83.00000  123.40000
   88    94    98    81.00000  111.40000
   94    98    99    35.00000  109.50000
   94    98   100    35.00000  109.50000
   94    98   101    35.00000  109.50000
   98    94    95    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   89    77    78    35.00000  109.50000
   89    77    82    50.00000  109.50000
   89    96    97    83.00000  123.40000
   89    96   102    81.00000  111.40000
   96   102   103    35.00000  109.50000
   96   102   104    63.00000  111.10000
   96   102   108    63.00000  111.10000
  102    96    97    80.00000  120.40000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    58.35000  112.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   72    65    67    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
   76    65    67    50.00000  109.50000
   76    65    72    50.00000  109.50000
   76    80    81    83.00000  123.40000
   76    80    90    81.00000  111.40000
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   80    90    93    35.00000  109.50000
   90    80    81    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   57    54    55    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
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   96   102   108   111  -0.18200 -1.0 2.0
   96   102   108   111   0.29450  1.0 3.0
   97    96   102   103   0.00000  1.0 1.0
   97    96   102   104   0.30150 -1.0 2.0
   97    96   102   108   0.30150 -1.0 2.0
  102   108   111   112   0.15000  1.0 3.0
  102   108   111   113   0.15000  1.0 3.0
  102   108   111   114   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.56750  1.0 1.0
  104   102   108   111  -0.07550 -1.0 2.0
  104   102   108   111   0.20000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
   72    65    67    68   0.15000  1.0 3.0
   72    65    67    69   0.15000  1.0 3.0
   72    65    67    77   0.56750  1.0 1.0
   72    65    67    77  -0.07550 -1.0 2.0
   72    65    67    77   0.20000  1.0 3.0
   72    65    76    80  -0.25900  1.0 1.0
   72    65    76    80  -0.47000 -1.0 2.0
   72    65    76    80   0.11750  1.0 3.0
   76    65    67    68   0.23400  1.0 3.0
   76    65    67    69   0.23400  1.0 3.0
   76    65    67    77   0.62750  1.0 1.0
   76    65    67    77  -0.30950 -1.0 2.0
   76    65    67    77   0.27300  1.0 3.0
   76    65    72    73   0.23400  1.0 3.0
   76    65    72    74   0.23400  1.0 3.0
   76    65    72    75   0.23400  1.0 3.0
   76    80    90    91   0.00000  1.0 1.0
   76    80    90    92   0.00000  1.0 1.0
   76    80    90    93   0.00000  1.0 1.0
   81    80    90    91   0.00000  1.0 1.0
   81    80    90    92   0.00000  1.0 1.0
   81    80    90    93   0.00000  1.0 1.0
   57    54    55    56   0.34800  1.0 3.0
   57    54    55    61   0.46850  1.0 1.0
   57    54    55    61   0.08550 -1.0 2.0
   57    54    55    61   0.09800  1.0 3.0
   57    54    55    63   0.46850  1.0 1.0
   57    54    55    63   0.08550 -1.0 2.0
   57    54    55    63   0.09800  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    57    54    52   1.10000 -1.0 2.0
   66    79    70    71  10.50000 -1.0 2.0
   88    98    94    95  10.50000 -1.0 2.0
   89   102    96    97  10.50000 -1.0 2.0
   76    90    80    81  10.50000 -1.0 2.0
END
