* LIGAND DATABASE FILE (OPLS2005)
*
001     116   119    216    329     619
    1     0 S   NP   _N1_     1    28.88980    96.78460   -23.16768
    2     1 S   H    _HN1     2     1.02778   103.14718   -93.41220
    3     1 S   H    _H1_     3     1.02959    74.77033    12.31539
    4     1 S   H    _H2_     4     1.02835    36.37543   164.17202
    5     1 S   CT   _CA1     5     1.50120   139.43198   116.03054
    6     5 S   HC   _HA1     6     1.09575   105.22653    87.33203
    7     5 S   CO3  _C1_     7     1.53779   112.40402   -32.87013
    8     7 S   O2Z  _O11     8     1.26358   115.00279   -43.59375
    9     7 S   O2Z  _O12     9     1.26239   114.91876   135.58798
   10     5 S   CT   _CB1    10     1.53094   107.42689  -154.76384
   11    10 S   HC   HB11    11     1.09826   109.30428   -50.86814
   12    10 S   HC   HB12    12     1.09818   110.42377    65.67128
   13    10 S   CT   _CG1    13     1.53016   112.69363  -171.97371
   14    13 S   HC   HG11    14     1.09595   110.45933   -64.34480
   15    13 S   HC   HG12    15     1.09655   109.96241    54.88169
   16    13 S   C    _CD1    16     1.51822   112.31842   175.21570
   17    16 S   O    _OE1    17     1.22718   123.26016    -1.22733
   18    16 S   N    _N2_    18     1.38640   111.65221   179.07085
   19    18 S   H    _HN2    19     1.01576   119.00223     1.58363
   20    18 S   CT1  _CA2    20     1.46151   123.38986   179.53270
   21    20 S   HC   _HA2    21     1.09741   109.44307    -2.26001
   22    20 S   C    _C2_    22     1.53485   108.57766  -117.85258
   23    22 S   O    _O2_    23     1.23046   122.19177  -145.10994
   24    20 S   CT   _CB2    32     1.53369   111.62490   119.73624
   25    24 S   HC   HB21    33     1.09544   109.94992    55.40615
   26    24 S   HC   HB22    34     1.09255   109.71164   174.11930
   27    22 S   N    _N3_    24     1.38475   113.53479    42.26672
   28    27 S   H    _HN3    25     1.01491   119.01621    -0.25411
   29    24 S   S    _SG2    35     1.82733   111.69246   -65.24331
   30    27 S   CT   _CA3    26     1.45437   123.32362   175.06604
   31    30 S   HC   HA31    27     1.09532   109.08630    27.36021
   32    30 S   HC   HA32    28     1.09490   107.15953   144.36502
   33    29 S   CT   _C9_    36     1.85909   100.98174  -164.01822
   34    30 S   CO3  _C3_    29     1.52934   113.22498   -95.99188
   35    34 S   O2Z  _O31    30     1.26391   115.47068   -42.48532
   36    34 S   O2Z  _O32    31     1.26360   114.92260   138.43130
   37    33 S   CM   _C6_    37     1.53953   108.03032  -177.97107
   38    33 S   CT   _C10   113     1.53264   110.64573   -57.06308
   39    38 S   HC   _H12   114     1.09417   112.52298    67.06695
   40    38 S   HC   _H13   115     1.09649   111.73209   -53.51591
   41    38 S   HC   _H14   116     1.09649   111.17592  -172.85447
   42    37 S   CMA  _C7_    38     1.34848   110.81189  -117.41485
   43    42 S   OM   _O38    39     1.25251   136.72445  -179.79442
   44    37 S   CT   _C5_   106     1.50397   123.53664    62.98990
   45    44 S   HC   _H9_   107     1.09723   109.48961  -140.78213
   46    44 S   HC   _H10   108     1.09505   110.66414   -24.74171
   47    42 S   NE   _N4_    40     1.36848   109.78175    -0.36957
   48    47 S   H    _H11    41     1.01131   120.42964   179.07719
   49    44 S   CT   _C4_   109     1.52281   112.92236    97.84676
   50    49 S   HC   _H6_   110     1.09395   111.69438   -61.50950
   51    49 S   HC   _H7_   111     1.09492   109.97504   178.93247
   52    49 S   HC   _H8_   112     1.09493   111.44336    59.49423
   53    33 S   CT   _C8_    42     1.58178   109.54207    71.22820
   54    53 S   HC   _H3_    43     1.09686   111.37738     3.47728
   55    53 S   CT   _C11    44     1.53103   116.38683  -122.68231
   56    55 S   HC   _H15    45     1.09407   110.74961    55.95797
   57    55 S   HC   _H16    46     1.09678   111.23326   -63.57486
   58    55 S   CD   _C12    47     1.50832   111.21666   176.21374
   59    58 S   CM   _C32    48     1.46789   122.97107   -86.44588
   60    59 S   CM   _C31    49     1.34333   101.76219   179.52522
   61    59 S   CT   _C33   102     1.47872   125.81881    -0.50899
   62    61 S   HC   _H34   103     1.09428   110.68804   -54.03526
   63    61 S   HC   _H35   104     1.09364   112.18639  -173.57886
   64    61 S   HC   _H36   105     1.09379   110.48152    66.27303
   65    60 S   CM   _C13    50     1.45759   109.81288    -0.19281
   66    60 S   CT   _C34    93     1.49936   124.10811  -177.26849
   67    66 S   HC   _H37    94     1.09827   109.56747    29.18566
   68    66 S   HC   _H38    95     1.09429   110.63836   142.95330
   69    58 S   NI   _N5_    51     1.30097   122.10812    92.44474
   70    65 S   CM   _C14    52     1.34396   132.22397  -179.35654
   71    70 S   HC   _H17    53     1.09198   115.50472   177.42435
   72    66 S   CT   _C35    96     1.52731   112.25792   -91.48386
   73    72 S   HC   _H39    97     1.09643   110.49660   -55.12284
   74    72 S   HC   _H40    98     1.09787   109.45811    62.16039
   75    70 S   CT   _C15    54     1.50169   130.40835    -2.70494
   76    75 S   HC   _H4_    55     1.09089   112.45396   -27.01303
   77    72 S   CO3  _C36    99     1.53198   114.80264  -176.96720
   78    77 S   O2Z  _O37   100     1.26512   114.06840  -176.89316
   79    77 S   O2Z  _O36   101     1.26137   116.69284     3.02459
   80    75 S   CM   _C16    56     1.50607   113.37499  -150.20479
   81    80 S   CM   _C17    57     1.33933   111.35551  -118.33958
   82    80 S   CT   _C28    84     1.50130   121.30043    62.17740
   83    82 S   HC   _H30    85     1.09619   110.26710  -162.74963
   84    82 S   HC   _H31    86     1.09684   109.44935   -47.49810
   85    81 S   CD   _C18    58     1.47753   102.51678    -0.13417
   86    81 S   CT   _C27    80     1.48128   130.95255  -178.49637
   87    86 S   HC   _H27    81     1.09475   110.60000   122.97734
   88    86 S   HC   _H28    82     1.09339   112.34194     3.45542
   89    86 S   HC   _H29    83     1.09452   110.52913  -116.70157
   90    82 S   CT   _C29    87     1.52575   112.28266    75.00128
   91    90 S   HC   _H32    88     1.09680   110.09846   -63.21914
   92    90 S   HC   _H33    89     1.09771   109.65552    54.56509
   93    75 S   NI   _N6_    59     1.47812   108.79591    94.11870
   94    85 S   CM   _C19    60     1.48926   118.34683   179.40062
   95    94 S   HC   _H18    61     1.08095   115.79326    -7.52858
   96    90 S   CO3  _C30    90     1.53260   114.46339   175.77335
   97    96 S   O2Z  _O35    91     1.26503   114.14427  -169.97720
   98    96 S   O2Z  _O34    92     1.26165   116.63618    10.12514
   99    94 S   CM   _C20    62     1.34204   123.74339   171.39396
  100    99 S   CM   _C21    63     1.45878   128.89241  -179.24697
  101   100 S   CT   _C24    64     1.52702   107.54430   171.04239
  102   101 S   HC   _H5_    65     1.09670   109.85616  -107.37238
  103   100 S   CM   _C22    74     1.34576   130.53830   -11.10268
  104   103 S   HC   _H19    75     1.08937   117.46798   178.69929
  105   101 S   C    _C25    66     1.51785   102.57514     6.96396
  106   105 S   O    _O33    67     1.22207   125.68844   175.77497
  107   101 S   CT   _C26    70     1.52421   115.27006   126.39307
  108   107 S   HC   _H24    71     1.09612   111.43808   -53.92562
  109   107 S   HC   _H25    72     1.09566   110.77646  -173.31467
  110   107 S   HC   _H26    73     1.09452   111.46914    66.98715
  111   103 S   CT   _C23    76     1.49261   129.08904    -2.92000
  112   111 S   HC   _H20    77     1.09317   112.09151   -41.51377
  113   111 S   HC   _H21    78     1.09558   109.39831  -159.27462
  114   111 S   HC   _H22    79     1.09363   110.80353    82.15304
  115    99 S   N    _N7_    68     1.36648   123.60003    -2.25863
  116   115 S   H    _H23    69     1.01540   122.49383     4.41224
  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  12   5   4   3
  19   2   1   1  18   9   3   2   1  10   4   8   5   4   7   3
   3   2   1   1   7   4   8   4   3  10  12  16   6   2   1   1
  11  10   5   4   3   8   4   5   4   3  11   5   2   1   1  15
  13  11   5   4  10   5   2   1   1   5   4   3   3   8   3   2
   1   1  11  16  12   8   8   4   7   3   4   2   1   1   3   2
   1   1   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    53    54    55    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    53    54    55    56    57    58    44    45    46    49    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    53    54    55    44    45    46    49    50    51    52    38    39    40    41  
   39    40    41    42    44    47    53    54    55  
   40    41    53  
   41    53  
   53  
   43    47    48    53    54    55    44    45    46    49  
   47    48    53    44  
   45    46    49    50    51    52    47    53  
   46    49    50    51    52  
   49    50    51    52  
   48    53    54    55    56    57    58  
   53    54    55  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    58    59    69  
   55    56    57    58  
   56    57    58    59    60    65    69    61  
   57    58    59    69  
   58    59    69  
   59    60    65    69    70    66    61    62    63    64  
   60    65    69    70    66    67    68    72    61    62    63    64  
   65    69    70    71    75    66    67    68    72    73    74    77    61    62    63    64  
   62    63    64    65    66    69  
   63    64  
   64  
    0  
   69    70    71    75    76    80    93    66    67    68    72  
   67    68    72    73    74    77    78    79    69    70  
   68    72    73    74    77  
   72    73    74    77  
   70    71    75  
   71    75    76    80    81    85    93    82  
   75    76    80    93  
   73    74    77    78    79  
   74    77    78    79  
   77    78    79  
   76    80    81    85    93    94    86    82    83    84    90  
   80    81    85    93    82  
   78    79  
   79  
    0  
   81    85    93    94    86    87    88    89    82    83    84    90    91    92    96  
   85    93    94    95    99    86    87    88    89    82    83    84    90  
   83    84    90    91    92    96    97    98    85    86    93  
   84    90    91    92    96  
   90    91    92    96  
   93    94    95    99   100   115    86    87    88    89  
   87    88    89    93    94  
   88    89  
   89  
    0  
   91    92    96    97    98  
   92    96    97    98  
   96    97    98  
   94    95    99  
   95    99   100   101   105   115   116   103  
   99   100   115  
   97    98  
   98  
    0  
  100   101   102   105   106   115   116   107   103   104   111  
  101   102   105   106   115   116   107   108   109   110   103   104   111   112   113   114  
  102   105   106   115   116   107   108   109   110   103   104   111  
  105   106   115   107   108   109   110   103  
  104   111   112   113   114   105   107   115  
  111   112   113   114  
  106   115   116   107   108   109   110  
  115   116   107  
  108   109   110   115  
  109   110  
  110  
    0  
  112   113   114  
  113   114  
  114  
    0  
  116  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.083900   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   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   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.160200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   94   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
  115   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  116   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   415.000  1.382
   47    48   434.000  1.010
   47    53   382.000  1.448
   53    54   340.000  1.090
   53    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   270.000  1.508
   58    59   320.000  1.464
   58    69   500.000  1.261
   59    60   549.000  1.340
   59    61   317.000  1.510
   60    65   380.000  1.444
   60    66   317.000  1.510
   65    69   405.000  1.380
   65    70   549.000  1.340
   70    71   340.000  1.080
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    80   317.000  1.510
   75    93   315.000  1.435
   80    81   549.000  1.340
   80    82   317.000  1.510
   81    85   320.000  1.464
   81    86   317.000  1.510
   85    93   500.000  1.261
   85    94   320.000  1.464
   94    95   340.000  1.080
   94    99   549.000  1.340
   99   100   380.000  1.444
   99   115   400.000  1.384
  100   101   317.000  1.510
  100   103   549.000  1.340
  101   102   340.000  1.090
  101   105   317.000  1.522
  101   107   268.000  1.529
  105   106   570.000  1.229
  105   115   490.000  1.335
  115   116   434.000  1.010
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  103   104   340.000  1.080
  103   111   317.000  1.510
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    96   317.000  1.522
   96    97   656.000  1.250
   96    98   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   317.000  1.522
   77    78   656.000  1.250
   77    79   656.000  1.250
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    53    47    80.00000  111.61500
   33    53    54    37.50000  110.70000
   33    53    55    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    75.00000  114.40000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    49    70.00000  112.02700
   42    47    48    50.00000  121.48000
   42    47    53    50.00000  121.00000
   47    42    43   105.00000  113.92000
   47    53    54    35.00000  109.50000
   47    53    55    80.00000  111.61500
   53    33    37    70.00000  112.02700
   53    47    48    35.00000  112.50000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    70.00000  111.76100
   55    53    54    37.50000  110.70000
   55    58    59    65.00000  117.24000
   55    58    69    65.00000  122.10100
   57    55    56    33.00000  107.80000
   58    55    56    45.00000  109.49600
   58    55    57    45.00000  109.49600
   58    59    60    60.00000  120.31500
   58    59    61    65.00000  117.22000
   58    69    65    75.00000  115.77100
   59    60    65    70.00000  123.01800
   59    60    66    70.00000  124.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   60    65    69    70.00000  120.83400
   60    65    70    70.00000  123.01800
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    72    70.00000  112.02700
   65    70    71    35.00000  120.00000
   65    70    75    70.00000  124.00000
   69    58    59    70.00000  121.86000
   70    65    69    70.00000  120.83400
   70    75    76    35.00000  109.50000
   70    75    80    70.00000  110.12100
   70    75    93    75.00000  110.00000
   75    70    71    35.00000  117.00000
   75    80    81    70.00000  124.00000
   75    80    82    65.00000  117.92700
   75    93    85    70.00000  113.48600
   80    75    76    35.00000  109.50000
   80    81    85    60.00000  120.31500
   80    81    86    70.00000  124.00000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    90    70.00000  112.02700
   81    85    93    70.00000  121.86000
   81    85    94    65.00000  123.36000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   85    94    95    40.00000  114.85300
   85    94    99    60.00000  120.31500
   93    75    76    50.00000  110.29200
   93    75    80    75.00000  110.00000
   94    85    93    70.00000  121.86000
   94    99   100    70.00000  123.01800
   94    99   115    75.00000  120.83300
   99    94    95    35.00000  120.00000
   99   100   101    70.00000  124.00000
   99   100   103    70.00000  123.01800
   99   115   105    70.00000  120.89900
   99   115   116    45.00000  117.55000
  100   101   102    35.00000  109.50000
  100   101   105    70.00000  115.00700
  100   101   107    70.00000  112.02700
  100   103   104    35.00000  120.00000
  100   103   111    70.00000  124.00000
  101   105   106    80.00000  120.40000
  101   105   115    70.00000  116.60000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  105   101   102    35.00000  109.50000
  105   115   116    35.00000  119.80000
  115    99   100    75.00000  120.83300
  115   105   106    80.00000  122.90000
  107   101   102    37.50000  110.70000
  107   101   105    63.00000  111.10000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  103   100   101    70.00000  124.00000
  103   111   112    35.00000  109.50000
  103   111   113    35.00000  109.50000
  103   111   114    35.00000  109.50000
  111   103   104    35.00000  117.00000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   86    81    85    65.00000  117.22000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   82    80    81    70.00000  124.00000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    96    70.00000  109.69300
   84    82    83    33.00000  107.80000
   90    82    83    37.50000  110.70000
   90    82    84    37.50000  110.70000
   90    96    97    70.00000  117.00000
   90    96    98    70.00000  117.00000
   92    90    91    33.00000  107.80000
   96    90    91    35.00000  109.50000
   96    90    92    35.00000  109.50000
   98    96    97    80.00000  126.00000
   66    60    65    70.00000  124.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    77    70.00000  109.69300
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    77    78    70.00000  117.00000
   72    77    79    70.00000  117.00000
   74    72    73    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   79    77    78    80.00000  126.00000
   61    59    60    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
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   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    77  -0.11250  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    77  -0.11250  1.0 3.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    79   0.00000  1.0 1.0
   74    72    77    78   0.00000  1.0 1.0
   74    72    77    79   0.00000  1.0 1.0
   61    59    60    65   7.00000 -1.0 2.0
   61    59    60    66   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    53    47   1.26750  1.0 1.0
   38    33    53    47  -0.00950 -1.0 2.0
   38    33    53    47   0.30600  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.56750  1.0 1.0
   38    33    53    55  -0.07550 -1.0 2.0
   38    33    53    55   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
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   48    42    47    53   1.00000 -1.0 2.0
   55    59    58    69  10.50000 -1.0 2.0
   58    61    59    60   1.10000 -1.0 2.0
   65    66    60    59   1.10000 -1.0 2.0
   60    69    65    70   1.10000 -1.0 2.0
   75    71    70    65   1.10000 -1.0 2.0
   75    82    80    81   1.10000 -1.0 2.0
   85    86    81    80   1.10000 -1.0 2.0
   81    94    85    93  10.50000 -1.0 2.0
   85    95    94    99   1.10000 -1.0 2.0
  100   115    99    94   1.10000 -1.0 2.0
   99   101   100   103   1.10000 -1.0 2.0
  101   115   105   106  10.50000 -1.0 2.0
  116   105   115    99   1.00000 -1.0 2.0
  111   104   103   100   1.10000 -1.0 2.0
   97    90    96    98  10.50000 -1.0 2.0
   78    72    77    79  10.50000 -1.0 2.0
END
