* LIGAND DATABASE FILE (OPLS2005)
*
001     113   114    214    323     628
    1     0 S   NP   _N1_     1    28.99422    96.83233   -24.34935
    2     1 S   H    _HN1     2     1.02827    37.94081   174.47416
    3     1 S   H    _H1_     3     1.02795   109.61763   -91.30714
    4     1 S   H    _H2_     4     1.02948    70.76653    11.97967
    5     1 S   CT   _CA1     5     1.50113   134.81098   111.99918
    6     5 S   HC   _HA1     6     1.09572   105.18759    94.88320
    7     5 S   CO3  _C1_     7     1.53783   112.50766   -25.36876
    8     7 S   O2Z  _O11     8     1.26373   115.01049   -42.01500
    9     7 S   O2Z  _O12     9     1.26241   114.94817   137.13608
   10     5 S   CT   _CB1    10     1.53068   107.41340  -147.11751
   11    10 S   HC   HB11    11     1.09838   109.36346   -49.53484
   12    10 S   HC   HB12    12     1.09812   110.45328    67.07113
   13    10 S   CT   _CG1    13     1.52997   112.61402  -170.49114
   14    13 S   HC   HG11    14     1.09575   110.68631   -66.33512
   15    13 S   HC   HG12    15     1.09670   109.74039    52.91234
   16    13 S   C    _CD1    16     1.51786   112.12827   173.39087
   17    16 S   O    _OE1    17     1.22732   123.22183     9.45837
   18    16 S   N    _N2_    18     1.38607   111.72758  -170.65397
   19    18 S   H    _HN2    19     1.01568   118.96852     1.55116
   20    18 S   CT1  _CA2    20     1.46202   123.42771   176.83418
   21    20 S   HC   _HA2    21     1.09744   109.38333     5.18761
   22    20 S   C    _C2_    22     1.53580   108.17886  -110.09594
   23    22 S   O    _O2_    23     1.23040   122.52897  -142.80653
   24    20 S   CT   _CB2    32     1.53367   111.58043   127.31953
   25    24 S   HC   HB21    33     1.09385   109.78324    54.49681
   26    24 S   HC   HB22    34     1.09302   109.38595   173.31505
   27    22 S   N    _N3_    24     1.38385   113.48538    44.51689
   28    27 S   H    _HN3    25     1.01564   119.58722    -2.14375
   29    24 S   S    _SG2    35     1.83261   110.92372   -67.13218
   30    27 S   CT   _CA3    26     1.45267   123.24992   176.65684
   31    30 S   HC   HA31    27     1.09554   107.20414   -72.94074
   32    30 S   HC   HA32    28     1.09555   108.38159    43.60176
   33    29 S   CT   _C15    36     1.88324   101.88705   178.17244
   34    30 S   CO3  _C3_    29     1.52973   114.07361   165.90279
   35    34 S   O2Z  _O31    30     1.26373   116.13142     0.44980
   36    34 S   O2Z  _O32    31     1.26445   114.38648  -179.35350
   37    33 S   CM   _C17    37     1.52642   107.13762    54.95153
   38    37 S   HC   _H25    38     1.09413   112.55945    57.27993
   39    33 S   CT   _C16    69     1.53694   106.76888   -72.29718
   40    39 S   HC   _H22    70     1.09697   111.30632   -60.97967
   41    39 S   HC   _H23    71     1.09446   112.86819    59.65830
   42    39 S   HC   _H24    72     1.09414   111.92073   179.66604
   43    33 S   CT   _C14    73     1.56402   104.48512   170.28441
   44    43 S   HC   _H20    74     1.09894   108.60218   -57.05594
   45    43 S   HC   _H21    75     1.09977   109.05042    58.84182
   46    37 S   CMA  _C18    39     1.35555   131.81917  -122.36565
   47    46 S   OM   _O37    40     1.26606   127.24072    -1.73911
   48    43 S   CT   _C11    76     1.54696   115.83085  -179.30818
   49    48 S   HC   _H7_    77     1.09658   109.09414    45.22650
   50    46 S   OS   _O38    41     1.42255   109.36713   179.40917
   51    48 S   CT   _C12    78     1.54080   111.13164   166.28561
   52    51 S   HC   _H8_    79     1.09665   109.09235    54.55017
   53    50 S   CT   _C19    42     1.43220   113.29683  -134.11497
   54    53 S   HC   _H26    43     1.09701   111.00967    42.26208
   55    53 S   HC   _H27    44     1.09654   109.31660   -77.55423
   56    51 S   CT   _C13    80     1.53725   111.14294   174.50018
   57    56 S   HC   _H9_    81     1.09600   109.94670  -175.22324
   58    51 S   OH   _O36   112     1.42537   110.22770   -63.11683
   59    58 S   HO   _H19   113     0.97199   107.70235  -174.36417
   60    53 S   CT   _C20    45     1.52841   109.04863   163.36795
   61    60 S   HC   _H28    46     1.09624   109.13227  -179.44117
   62    60 S   HC   _H29    47     1.09717   108.61726    64.15962
   63    56 S   CT   _C9_    82     1.53960   111.39456   -51.16710
   64    63 S   HC   _H6_    83     1.09799   109.00197   167.44533
   65    56 S   OH   _O35   110     1.43171   108.78194    68.72374
   66    65 S   HO   _H18   111     0.97232   107.64035   177.52322
   67    60 S   CT   _C21    48     1.53374   114.61277   -56.04191
   68    67 S   HC   _H30    49     1.09713   108.12517   179.27638
   69    67 S   HC   _H31    50     1.09679   109.71959    63.54488
   70    63 S   CT   _C10    84     1.53696   108.74633    50.60599
   71    70 S   HC   _H16    85     1.09690   111.22780    65.30504
   72    70 S   HC   _H17    86     1.09409   111.05958  -176.24391
   73    63 S   CT   _C8_    88     1.54317   110.64516   -72.99788
   74    73 S   HC   _H14    89     1.09767   109.05844   -47.06155
   75    73 S   HC   _H15    90     1.09580   111.17157    70.10532
   76    67 S   CT   _C22    51     1.52974   113.48245   -59.33393
   77    76 S   HC   _H32    52     1.09657   109.74275   -53.67752
   78    76 S   HC   _H33    53     1.09486   109.83297    64.03968
   79    48 S   OS   _O34    87     1.43312   108.44952   -74.08193
   80    73 S   C3T  _C7_    91     1.49788   112.10275  -168.26936
   81    80 S   HC   _H5_    92     1.08104   114.04756   -74.28156
   82    76 S   CT   _C23    54     1.53011   111.37718  -175.17891
   83    82 S   HC   _H34    55     1.09685   109.63757   -55.49169
   84    82 S   HC   _H35    56     1.09667   109.55802    61.90176
   85    80 S   C3T  _C6_    93     1.50928   120.89800    80.20169
   86    85 S   HC   _H4_    94     1.08200   118.73765    -5.97160
   87    82 S   CT   _C24    57     1.52937   111.16582  -176.61447
   88    87 S   HC   _H36    58     1.09672   109.73251   -57.17071
   89    87 S   HC   _H37    59     1.09540   109.24894    60.13529
   90    80 S   O3T  _O33    95     1.43375   114.46940   146.58617
   91    85 S   CT   _C5_    96     1.50664   120.31976  -156.20316
   92    91 S   HC   _H3_    97     1.09852   109.11504   -37.28893
   93    87 S   CT   _C25    60     1.52870   111.52627  -178.87326
   94    93 S   HC   _H38    61     1.09699   109.49058    59.61341
   95    93 S   HC   _H39    62     1.09704   109.57329   -57.33797
   96    91 S   CT   _C4_    98     1.53337   109.17828    79.91773
   97    96 S   HC   _H11    99     1.09546   111.65391    58.91968
   98    96 S   HC   _H12   100     1.09563   110.68196   -60.49776
   99    96 S   HC   _H13   101     1.09487   110.91567   179.85329
  100    91 S   CT   _C28   102     1.54390   112.36864  -156.73772
  101   100 S   HC   _H10   103     1.09691   108.43187   179.80218
  102    93 S   CT   _C26    63     1.52583   111.38441  -178.79520
  103   102 S   HC   _H40    64     1.09732   109.47575    59.29625
  104   102 S   HC   _H41    65     1.09716   109.49154   -58.02359
  105   100 S   CT   _C29   104     1.52433   113.39865    59.31891
  106   105 S   HC   _H42   105     1.09492   111.51451   -68.25133
  107   105 S   HC   _H43   106     1.09404   111.39677    53.96765
  108   105 S   HC   _H44   107     1.09571   110.11445   174.17076
  109   100 S   OH   _O41   108     1.42623   110.19127   -63.37855
  110   109 S   HO   _H45   109     0.97252   107.58804  -178.08889
  111   102 S   CO3  _C27    66     1.53241   115.05573  -179.31614
  112   111 S   O2Z  _O40    67     1.26516   114.11406  -180.00000
  113   111 S   O2Z  _O39    68     1.26161   116.67315     0.08847
  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
  16   2   1   1  13   5   8   3   2   1  11   5   4   6   2  13
   6   7  12   7   9   5   4  15   7   4   1   9   5   4  14   9
   3   1   9   5   4   7   3   2   9   5   4   9   5   4   1   8
   4   9   5   4  12   5   9   5   4   4  13   8   8   5   4   7
   3   2   1   7   6   5   4   3   5   3   2   1   1   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    51    79  
   35    36  
   36  
    0  
   38    46    47    50    53    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    51    52    56    70    79    58    46  
   45    48    49    51    79  
   48    49    51    79  
   47    50    53    54    55    60  
   50    53  
   49    51    52    56    57    63    70    71    72    79    65    58    59  
   51    52    56    70    79    58  
   53    54    55    60    61    62    67  
   52    56    57    63    64    70    79    73    65    66    58    59  
   56    57    63    79    65    58    59  
   54    55    60    61    62    67    68    69    76  
   55    60    61    62    67  
   60    61    62    67  
   57    63    64    70    71    72    79    73    74    75    80    65    66    58    59  
   63    64    70    73    65    66    58  
   59    63    65    79  
    0  
   61    62    67    68    69    76    77    78    82  
   62    67    68    69    76  
   67    68    69    76  
   64    70    71    72    79    73    74    75    80    81    85    90    65    66  
   70    71    72    79    73    74    75    80    65  
   66    70    73  
    0  
   68    69    76    77    78    82    83    84    87  
   69    76    77    78    82  
   76    77    78    82  
   71    72    79    73    74    75    80  
   72    79    73  
   79    73  
   74    75    80    81    85    86    90    91    79  
   75    80    81    85    90  
   80    81    85    90  
   77    78    82    83    84    87    88    89    93  
   78    82    83    84    87  
   82    83    84    87  
    0  
   81    85    86    90    91    92    96   100  
   85    86    90    91  
   83    84    87    88    89    93    94    95   102  
   84    87    88    89    93  
   87    88    89    93  
   86    90    91    92    96    97    98    99   100   101   105   109  
   90    91    92    96   100  
   88    89    93    94    95   102   103   104   111  
   89    93    94    95   102  
   93    94    95   102  
   91    92    96   100  
   92    96    97    98    99   100   101   105   106   107   108   109   110  
   96    97    98    99   100   101   105   109  
   94    95   102   103   104   111   112   113  
   95   102   103   104   111  
  102   103   104   111  
   97    98    99   100   101   105   109  
   98    99   100  
   99   100  
  100  
  101   105   106   107   108   109   110  
  105   106   107   108   109   110  
  103   104   111   112   113  
  104   111   112   113  
  111   112   113  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  110  
    0  
  112   113  
  113  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  111   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    50   440.000  1.360
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   111   317.000  1.522
  111   112   656.000  1.250
  111   113   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    79   320.000  1.410
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    65   320.000  1.410
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   275.000  1.510
   80    81   340.000  1.088
   80    85   260.000  1.509
   80    90   335.000  1.432
   85    86   340.000  1.088
   85    90   335.000  1.432
   85    91   275.000  1.510
   91    92   340.000  1.090
   91    96   268.000  1.529
   91   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   105   268.000  1.529
  100   109   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   65    66   553.000  0.945
   58    59   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    50    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    50    53    90.00000  111.18400
   50    46    47    65.00000  121.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    76    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    69    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    87    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    93    58.35000  112.70000
   84    82    83    33.00000  107.80000
   87    82    83    37.50000  110.70000
   87    82    84    37.50000  110.70000
   87    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93   102    58.35000  112.70000
   89    87    88    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    37.50000  110.70000
   93   102   103    37.50000  110.70000
   93   102   104    37.50000  110.70000
   93   102   111    70.00000  109.69300
   95    93    94    33.00000  107.80000
  102    93    94    37.50000  110.70000
  102    93    95    37.50000  110.70000
  102   111   112    70.00000  117.00000
  102   111   113    70.00000  117.00000
  104   102   103    33.00000  107.80000
  111   102   103    35.00000  109.50000
  111   102   104    35.00000  109.50000
  113   111   112    80.00000  126.00000
   39    33    37    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
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    51    58.35000  112.70000
   43    48    79    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    56    58.35000  112.70000
   48    51    58    50.00000  109.50000
   48    79    70    60.00000  109.50000
   51    48    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    63    58.35000  112.70000
   51    56    65    50.00000  109.50000
   51    58    59    55.00000  108.50000
   56    51    52    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    70    58.35000  112.70000
   56    63    73    58.35000  112.70000
   56    65    66    55.00000  108.50000
   63    56    57    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    79    50.00000  109.50000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    80    70.00000  112.37300
   70    63    64    37.50000  110.70000
   72    70    71    33.00000  107.80000
   79    48    49    35.00000  109.50000
   79    48    51    50.00000  109.50000
   79    70    71    35.00000  109.50000
   79    70    72    35.00000  109.50000
   73    63    64    37.50000  110.70000
   73    63    70    58.35000  112.70000
   73    80    81    40.00000  115.04500
   73    80    85    60.00000  120.94000
   73    80    90    80.00000  116.47100
   75    73    74    33.00000  107.80000
   80    73    74    45.00000  109.38400
   80    73    75    45.00000  109.38400
   80    85    86    37.50000  117.20000
   80    85    90    15.00000   60.43100
   80    85    91    60.00000  120.94000
   80    90    85    15.00000   59.14900
   85    80    81    37.50000  117.20000
   85    91    92    45.00000  109.38400
   85    91    96    70.00000  112.37300
   85    91   100    70.00000  112.37300
   90    80    81    50.00000  114.27700
   90    80    85    15.00000   60.43100
   90    85    86    50.00000  114.27700
   91    85    86    40.00000  115.04500
   91    85    90    80.00000  116.47100
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   91   100   101    37.50000  110.70000
   91   100   105    58.35000  112.70000
   91   100   109    50.00000  109.50000
   96    91    92    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    91    92    37.50000  110.70000
  100    91    96    58.35000  112.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  105   100   101    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    35.00000  109.50000
  109   100   105    50.00000  109.50000
   65    56    57    35.00000  109.50000
   65    56    63    50.00000  109.50000
   58    51    52    35.00000  109.50000
   58    51    56    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
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   90    85    91    96   1.20400  1.0 3.0
   90    85    91   100   0.02550  1.0 1.0
   90    85    91   100  -0.02600 -1.0 2.0
   90    85    91   100   1.20400  1.0 3.0
   91    85   -90    80   0.06250  1.0 1.0
   91    85   -90    80  -0.01100 -1.0 2.0
   91    85   -90    80   0.28050  1.0 3.0
   91   100   105   106   0.15000  1.0 3.0
   91   100   105   107   0.15000  1.0 3.0
   91   100   105   108   0.15000  1.0 3.0
   91   100   109   110  -0.11600  1.0 1.0
   91   100   109   110  -0.09450 -1.0 2.0
   91   100   109   110   0.21250  1.0 3.0
   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96    99   0.15000  1.0 3.0
   92    91   100   101   0.15000  1.0 3.0
   92    91   100   105   0.15000  1.0 3.0
   92    91   100   109   0.23400  1.0 3.0
   96    91   100   101   0.15000  1.0 3.0
   96    91   100   105   0.56750  1.0 1.0
   96    91   100   105  -0.07550 -1.0 2.0
   96    91   100   105   0.20000  1.0 3.0
   96    91   100   109   0.86500  1.0 1.0
   96    91   100   109  -0.17500 -1.0 2.0
   96    91   100   109   0.20800  1.0 3.0
  100    91    96    97   0.15000  1.0 3.0
  100    91    96    98   0.15000  1.0 3.0
  100    91    96    99   0.15000  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110   0.19450  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   65    56    63    64   0.23400  1.0 3.0
   65    56    63    70   0.86500  1.0 1.0
   65    56    63    70  -0.17500 -1.0 2.0
   65    56    63    70   0.20800  1.0 3.0
   65    56    63    73   0.86500  1.0 1.0
   65    56    63    73  -0.17500 -1.0 2.0
   65    56    63    73   0.20800  1.0 3.0
   58    51    56    57   0.23400  1.0 3.0
   58    51    56    63   0.86500  1.0 1.0
   58    51    56    63  -0.17500 -1.0 2.0
   58    51    56    63   0.20800  1.0 3.0
   58    51    56    65   3.75450  1.0 1.0
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    38    37    46  15.00000 -1.0 2.0
   47    50    46    37  15.00000 -1.0 2.0
  112   102   111   113  10.50000 -1.0 2.0
END
