* LIGAND DATABASE FILE (OPLS2005)
*
001     116   119    217    331     624
    1     0 S   NP   _N1_     1    28.96496    93.13106   -24.98296
    2     1 S   H    _HN1     2     1.02829    22.03871  -171.94828
    3     1 S   H    _H1_     3     1.02785   112.20621   -89.07745
    4     1 S   H    _H2_     4     1.02951    85.41588    18.90799
    5     1 S   CT   _CA1     5     1.50099   124.17008   130.52055
    6     5 S   HC   _HA1     6     1.09569   105.21446    79.00150
    7     5 S   CO3  _C1_     7     1.53781   112.51803   -41.31719
    8     7 S   O2Z  _O11     8     1.26373   115.00649   -41.15674
    9     7 S   O2Z  _O12     9     1.26229   114.94100   138.06173
   10     5 S   CT   _CB1    10     1.53067   107.44648  -162.91023
   11    10 S   HC   HB11    11     1.09833   109.43548   -49.12130
   12    10 S   HC   HB12    12     1.09815   110.40483    67.49670
   13    10 S   CT   _CG1    13     1.52990   112.61282  -170.07613
   14    13 S   HC   HG11    14     1.09585   110.69617   -64.98809
   15    13 S   HC   HG12    15     1.09668   109.79643    54.28101
   16    13 S   C    _CD1    16     1.51769   112.16478   174.81435
   17    16 S   O    _OE1    17     1.22725   123.29509     7.67465
   18    16 S   N    _N2_    18     1.38629   111.64623  -172.65743
   19    18 S   H    _HN2    19     1.01532   118.90265     2.36877
   20    18 S   CT1  _CA2    20     1.46140   123.34964   178.19973
   21    20 S   HC   _HA2    21     1.09724   109.38663     0.62213
   22    20 S   C    _C2_    22     1.53519   108.53225  -115.01326
   23    22 S   O    _O2_    23     1.23052   122.24532  -148.54935
   24    20 S   CT   _CB2    32     1.53369   111.68790   122.68828
   25    24 S   HC   HB21    33     1.09398   109.85479    58.93044
   26    24 S   HC   HB22    34     1.09468   109.63845   177.56554
   27    22 S   N    _N3_    24     1.38300   113.69582    38.71371
   28    27 S   H    _HN3    25     1.01596   119.55338    -3.09693
   29    24 S   S    _SG2    35     1.82896   111.57032   -62.86090
   30    27 S   CT   _CA3    26     1.45284   123.25181   177.33061
   31    30 S   HC   HA31    27     1.09547   107.48198   -65.54783
   32    30 S   HC   HA32    28     1.09557   108.02947    50.91479
   33    29 S   CT   _C9_    36     1.84881   101.34389   165.94384
   34    30 S   CO3  _C3_    29     1.52966   114.03792   172.92180
   35    34 S   O2Z  _O31    30     1.26380   116.04600    -0.91064
   36    34 S   O2Z  _O32    31     1.26422   114.42167   179.16913
   37    33 S   CT   _C6_    37     1.56532   109.93171  -179.93744
   38    37 S   HC   _H3_    38     1.09965   110.24016    43.83614
   39    33 S   CT   _C10   113     1.54504   109.08029    57.52407
   40    39 S   HC   _H13   114     1.09538   111.72754   -70.00382
   41    39 S   HC   _H14   115     1.09620   111.53492   171.35459
   42    39 S   HC   _H15   116     1.09523   112.21243    51.13486
   43    37 S   C    _C7_    39     1.52559   102.06792   155.52041
   44    43 S   O    _O33    40     1.22129   126.30000   160.89790
   45    37 S   CT   _C5_   106     1.53633   119.40118   -83.14391
   46    45 S   HC   _H10   107     1.09823   108.41284  -172.60607
   47    45 S   HC   _H11   108     1.09630   110.93216   -57.53390
   48    43 S   N    _N4_    41     1.38562   107.49063   -20.77595
   49    48 S   H    _H12    42     1.01584   122.66050  -178.00747
   50    45 S   CT   _C4_   109     1.51946   114.86260    67.38638
   51    50 S   HC   _H7_   110     1.09269   111.75335   -70.26296
   52    50 S   HC   _H8_   111     1.09515   109.86382   170.97805
   53    50 S   HC   _H9_   112     1.09437   111.20410    51.73304
   54    33 S   CT   _C8_    43     1.55960   114.58022   -65.99407
   55    54 S   HC   _H4_    44     1.09653   111.24064    93.06961
   56    54 S   CT   _C11    45     1.54064   117.25790   -34.17445
   57    56 S   HC   _H16    46     1.09238   111.70592    58.62194
   58    56 S   HC   _H17    47     1.09672   111.35887   -61.35861
   59    56 S   CD   _C12    48     1.50941   110.45138   178.68300
   60    59 S   CM   _C32    49     1.46747   122.85763   -92.91556
   61    60 S   CM   _C31    50     1.34332   101.78920   177.96548
   62    60 S   CT   _C33   102     1.47841   125.61614    -2.10105
   63    62 S   HC   _H34   103     1.09405   110.44232   -58.51113
   64    62 S   HC   _H35   104     1.09338   112.34181  -178.08133
   65    62 S   HC   _H36   105     1.09389   110.51256    61.66967
   66    61 S   CM   _C13    51     1.45779   109.77193    -0.15577
   67    61 S   CT   _C34    93     1.49957   124.05255  -177.86100
   68    67 S   HC   _H37    94     1.09801   109.50775    28.52802
   69    67 S   HC   _H38    95     1.09399   110.87341   142.35216
   70    59 S   NI   _N5_    52     1.30070   122.17210    85.08573
   71    66 S   CM   _C14    53     1.34386   132.21817  -177.66905
   72    71 S   HC   _H18    54     1.09187   115.51740   177.06348
   73    67 S   CT   _C35    96     1.52735   112.19856   -92.20617
   74    73 S   HC   _H39    97     1.09655   110.39553   -57.42273
   75    73 S   HC   _H40    98     1.09791   109.52737    59.90641
   76    71 S   CT   _C15    55     1.50216   130.36620    -1.73190
   77    76 S   HC   _H5_    56     1.09127   112.43151   -30.40336
   78    73 S   CO3  _C36    99     1.53203   114.82688  -179.43214
   79    78 S   O2Z  _O38   100     1.26511   114.07885   179.31272
   80    78 S   O2Z  _O37   101     1.26135   116.71970    -1.04080
   81    76 S   CM   _C16    57     1.50753   113.35543  -153.68041
   82    81 S   CM   _C17    58     1.33922   111.32243  -117.20669
   83    81 S   CT   _C28    84     1.50095   121.35826    63.22423
   84    83 S   HC   _H30    85     1.09603   110.24413  -163.21690
   85    83 S   HC   _H31    86     1.09682   109.50783   -47.85961
   86    82 S   CD   _C18    59     1.47555   102.42590     0.11869
   87    82 S   CT   _C27    80     1.48088   131.52414   179.96044
   88    87 S   HC   _H27    81     1.09457   110.56482   117.69767
   89    87 S   HC   _H28    82     1.09324   112.35690    -2.09742
   90    87 S   HC   _H29    83     1.09465   110.54758  -122.08787
   91    83 S   CT   _C29    87     1.52595   112.22189    74.61413
   92    91 S   HC   _H32    88     1.09695   110.06309   -64.43773
   93    91 S   HC   _H33    89     1.09776   109.66760    53.33095
   94    76 S   NI   _N6_    60     1.47876   108.61885    90.76188
   95    86 S   CM   _C19    61     1.48199   117.98316  -178.80123
   96    95 S   HC   _H19    62     1.08321   116.53984    33.45654
   97    91 S   CO3  _C30    90     1.53259   114.50565   174.45970
   98    97 S   O2Z  _O36    91     1.26510   114.13892  -170.15052
   99    97 S   O2Z  _O35    92     1.26165   116.64935     9.85882
  100    95 S   CM   _C20    63     1.34185   122.12713  -144.57575
  101   100 S   CM   _C23    64     1.44935   125.99458   177.56345
  102   101 S   CT   _C22    65     1.50440   105.93703  -154.39975
  103   102 S   HC   _H6_    66     1.09719   111.50519  -133.59063
  104   101 S   CM   _C24    74     1.34397   131.01558    31.78712
  105   104 S   HC   _H20    75     1.08955   117.27640   178.27478
  106   102 S   CD   _C21    67     1.53596    98.85148   -17.81073
  107   106 S   OM   _O34    68     1.24782   119.16984  -167.64420
  108   102 S   CT   _C26    70     1.52606   112.54654   100.78987
  109   108 S   HC   _H24    71     1.09626   111.85711   -58.60578
  110   108 S   HC   _H25    72     1.09538   110.71044  -178.12831
  111   108 S   HC   _H26    73     1.09522   111.02706    62.18537
  112   104 S   CT   _C25    76     1.49330   128.58059     0.99209
  113   112 S   HC   _H21    77     1.09376   110.30084  -100.92365
  114   112 S   HC   _H22    78     1.09529   109.31007   140.46613
  115   112 S   HC   _H23    79     1.09239   113.04221    21.92980
  116   100 S   NI   _N7_    69     1.37370   124.32087     5.07095
  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
  20   2   1   1  19   9   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   7   3
   2   1   1  10  15  11   8   8   4   6   2   4   2   1   1   3
   2   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    54    55    56    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    54    55    56    57    58    59    45    46    47    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    54    55    56    45    46    47    50    51    52    53    39    40    41    42  
   43    44    48    54    45    46    47    50    39  
   40    41    42    43    45    48    54    55    56  
   41    42    54  
   42    54  
   54  
   44    48    49    54    55    56    45    46    47    50  
   48    49    54    45  
   46    47    50    51    52    53    48    54  
   47    50    51    52    53  
   50    51    52    53  
   49    54    55    56    57    58    59  
   54    55    56  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    67    62    63    64    65  
   61    66    70    71    67    68    69    73    62    63    64    65  
   66    70    71    72    76    67    68    69    73    74    75    78    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    76    77    81    94    67    68    69    73  
   68    69    73    74    75    78    79    80    70    71  
   69    73    74    75    78  
   73    74    75    78  
   71    72    76  
   72    76    77    81    82    86    94    83  
   76    77    81    94  
   74    75    78    79    80  
   75    78    79    80  
   78    79    80  
   77    81    82    86    94    95    87    83    84    85    91  
   81    82    86    94    83  
   79    80  
   80  
    0  
   82    86    94    95    87    88    89    90    83    84    85    91    92    93    97  
   86    94    95    96   100    87    88    89    90    83    84    85    91  
   84    85    91    92    93    97    98    99    86    87    94  
   85    91    92    93    97  
   91    92    93    97  
   94    95    96   100   101   116    87    88    89    90  
   88    89    90    94    95  
   89    90  
   90  
    0  
   92    93    97    98    99  
   93    97    98    99  
   97    98    99  
   95    96   100  
   96   100   101   102   106   116   104  
  100   101   116  
   98    99  
   99  
    0  
  101   102   103   106   107   116   108   104   105   112  
  102   103   106   107   116   108   109   110   111   104   105   112   113   114   115  
  103   106   107   116   108   109   110   111   104   105   112  
  106   107   116   108   109   110   111   104  
  105   112   113   114   115   106   108   116  
  112   113   114   115  
  107   116   108   109   110   111  
  116   108  
  109   110   111   116  
  110   111  
  111  
    0  
  113   114   115  
  114   115  
  115  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.160200   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   95   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  102   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.7500   0.1050   0.438600   2.0020   1.7750   0.023028004  -0.852763146
  107   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
  108   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
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    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   490.000  1.335
   48    49   434.000  1.010
   48    54   337.000  1.449
   54    55   340.000  1.090
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   270.000  1.508
   59    60   320.000  1.464
   59    70   500.000  1.261
   60    61   549.000  1.340
   60    62   317.000  1.510
   61    66   380.000  1.444
   61    67   317.000  1.510
   66    70   405.000  1.380
   66    71   549.000  1.340
   71    72   340.000  1.080
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    81   317.000  1.510
   76    94   315.000  1.435
   81    82   549.000  1.340
   81    83   317.000  1.510
   82    86   320.000  1.464
   82    87   317.000  1.510
   86    94   500.000  1.261
   86    95   320.000  1.464
   95    96   340.000  1.080
   95   100   549.000  1.340
  100   101   380.000  1.444
  100   116   405.000  1.380
  101   102   317.000  1.510
  101   104   549.000  1.340
  102   103   340.000  1.090
  102   106   270.000  1.508
  102   108   268.000  1.529
  106   107   795.000  1.237
  106   116   500.000  1.261
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  104   105   340.000  1.080
  104   112   317.000  1.510
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    97   317.000  1.522
   97    98   656.000  1.250
   97    99   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    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    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    54    48    70.00000  110.72300
   33    54    55    37.50000  110.70000
   33    54    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.60000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    50    58.35000  112.70000
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  119.80000
   43    48    54    50.00000  121.90000
   48    43    44    80.00000  122.90000
   48    54    55    35.00000  109.50000
   48    54    56    70.00000  110.72300
   54    33    37    58.35000  112.70000
   54    48    49    38.00000  118.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  111.76100
   56    54    55    37.50000  110.70000
   56    59    60    65.00000  117.24000
   56    59    70    65.00000  122.10100
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  109.49600
   59    56    58    45.00000  109.49600
   59    60    61    60.00000  120.31500
   59    60    62    65.00000  117.22000
   59    70    66    75.00000  115.77100
   60    61    66    70.00000  123.01800
   60    61    67    70.00000  124.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    70    70.00000  120.83400
   61    66    71    70.00000  123.01800
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    73    70.00000  112.02700
   66    71    72    35.00000  120.00000
   66    71    76    70.00000  124.00000
   70    59    60    70.00000  121.86000
   71    66    70    70.00000  120.83400
   71    76    77    35.00000  109.50000
   71    76    81    70.00000  110.12100
   71    76    94    75.00000  110.00000
   76    71    72    35.00000  117.00000
   76    81    82    70.00000  124.00000
   76    81    83    65.00000  117.92700
   76    94    86    70.00000  113.48600
   81    76    77    35.00000  109.50000
   81    82    86    60.00000  120.31500
   81    82    87    70.00000  124.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    91    70.00000  112.02700
   82    86    94    70.00000  121.86000
   82    86    95    65.00000  123.36000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   86    95    96    40.00000  114.85300
   86    95   100    60.00000  120.31500
   94    76    77    50.00000  110.29200
   94    76    81    75.00000  110.00000
   95    86    94    70.00000  121.86000
   95   100   101    70.00000  123.01800
   95   100   116    70.00000  120.83400
  100    95    96    35.00000  120.00000
  100   101   102    70.00000  124.00000
  100   101   104    70.00000  123.01800
  100   116   106    75.00000  115.77100
  101   102   103    35.00000  109.50000
  101   102   106    70.00000  110.51600
  101   102   108    70.00000  112.02700
  101   104   105    35.00000  120.00000
  101   104   112    70.00000  124.00000
  102   106   107    75.00000  122.80800
  102   106   116    65.00000  122.10100
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  106   102   103    45.00000  109.49600
  116   100   101    70.00000  120.83400
  116   106   107    75.00000  134.47000
  108   102   103    37.50000  110.70000
  108   102   106    70.00000  111.76100
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  104   101   102    70.00000  124.00000
  104   112   113    35.00000  109.50000
  104   112   114    35.00000  109.50000
  104   112   115    35.00000  109.50000
  112   104   105    35.00000  117.00000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   87    82    86    65.00000  117.22000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    81    82    70.00000  124.00000
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    97    70.00000  109.69300
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    97    98    70.00000  117.00000
   91    97    99    70.00000  117.00000
   93    91    92    33.00000  107.80000
   97    91    92    35.00000  109.50000
   97    91    93    35.00000  109.50000
   99    97    98    80.00000  126.00000
   67    61    66    70.00000  124.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    70.00000  109.69300
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    78    79    70.00000  117.00000
   73    78    80    70.00000  117.00000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   80    78    79    80.00000  126.00000
   62    60    61    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   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
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   68    67    73    78  -0.11250  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    78  -0.11250  1.0 3.0
   74    73    78    79   0.00000  1.0 1.0
   74    73    78    80   0.00000  1.0 1.0
   75    73    78    79   0.00000  1.0 1.0
   75    73    78    80   0.00000  1.0 1.0
   62    60    61    66   7.00000 -1.0 2.0
   62    60    61    67   7.00000 -1.0 2.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   1.39750  1.0 1.0
   45    37    43    48  -0.07950 -1.0 2.0
   45    37    43    48  -0.18750  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    54    48   0.43900  1.0 1.0
   39    33    54    48   0.49100 -1.0 2.0
   39    33    54    48   0.28400  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    56   0.56750  1.0 1.0
   39    33    54    56  -0.07550 -1.0 2.0
   39    33    54    56   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    48    43    44  10.50000 -1.0 2.0
   49    43    48    54   1.00000 -1.0 2.0
   56    60    59    70  10.50000 -1.0 2.0
   59    62    60    61   1.10000 -1.0 2.0
   66    67    61    60   1.10000 -1.0 2.0
   61    70    66    71   1.10000 -1.0 2.0
   76    72    71    66   1.10000 -1.0 2.0
   76    83    81    82   1.10000 -1.0 2.0
   86    87    82    81   1.10000 -1.0 2.0
   82    95    86    94  10.50000 -1.0 2.0
   86    96    95   100   1.10000 -1.0 2.0
  101   116   100    95   1.10000 -1.0 2.0
  100   102   101   104   1.10000 -1.0 2.0
  102   107   106   116  10.50000 -1.0 2.0
  112   105   104   101   1.10000 -1.0 2.0
   98    91    97    99  10.50000 -1.0 2.0
   79    73    78    80  10.50000 -1.0 2.0
END
