* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    212    351     643
    1     0 S   NP   _N1_     1    28.69657    94.58780   -22.73096
    2     1 S   H    _HN1     2     1.02827    27.52605   156.77493
    3     1 S   H    _H1_     3     1.02781    99.31421   -92.19579
    4     1 S   H    _H2_     4     1.02950    85.86288    15.73659
    5     1 S   CT   _CA1     5     1.50125   136.35986   131.25391
    6     5 S   HC   _HA1     6     1.09577   105.19575    71.61679
    7     5 S   CO3  _C1_     7     1.53794   112.27080   -48.56283
    8     7 S   O2Z  _O11     8     1.26376   115.00184   -46.13026
    9     7 S   O2Z  _O12     9     1.26229   114.91885   132.76016
   10     5 S   CT   _CB1    10     1.53065   107.38521  -170.51291
   11    10 S   HC   HB11    11     1.09833   109.36928   -50.05579
   12    10 S   HC   HB12    12     1.09813   110.47337    66.53972
   13    10 S   CT   _CG1    13     1.52981   112.59519  -171.04033
   14    13 S   HC   HG11    14     1.09585   110.56009   -64.87357
   15    13 S   HC   HG12    15     1.09664   109.86148    54.35277
   16    13 S   C    _CD1    16     1.51818   112.18616   174.76340
   17    16 S   O    _OE1    17     1.22738   123.28786     4.63954
   18    16 S   N    _N2_    18     1.38613   111.68692  -175.48269
   19    18 S   H    _HN2    19     1.01601   118.91503     1.39634
   20    18 S   CT1  _CA2    20     1.46272   123.41871   178.93964
   21    20 S   HC   _HA2    21     1.09734   109.42491    -0.55497
   22    20 S   C    _C2_    22     1.53448   108.65087  -116.17158
   23    22 S   O    _O2_    23     1.23054   122.27486  -148.06101
   24    20 S   CT   _CB2    32     1.53409   111.26155   121.44558
   25    24 S   HC   HB21    33     1.09276   109.24552    57.63972
   26    24 S   HC   HB22    34     1.09500   110.31395   176.01592
   27    22 S   N    _N3_    24     1.38335   113.64821    39.42798
   28    27 S   H    _HN3    25     1.01609   119.54663    -3.56090
   29    24 S   S    _SG2    35     1.82901   110.84673   -64.94329
   30    27 S   CT   _CA3    26     1.45283   123.15199   177.01410
   31    30 S   HC   HA31    27     1.09551   107.53604   -63.79609
   32    30 S   HC   HA32    28     1.09559   107.93778    52.61293
   33    29 S   CT   _C26    36     1.87689   102.69219   155.49625
   34    30 S   CO3  _C3_    29     1.52943   114.13716   174.61006
   35    34 S   O2Z  _O31    30     1.26367   116.07950    -0.07913
   36    34 S   O2Z  _O32    31     1.26432   114.40436   179.96044
   37    33 S   CT   _C7_    37     1.54160   109.04763   -68.51492
   38    37 S   HC   _H33    38     1.09772   110.54218   176.96243
   39    37 S   HC   _H34    39     1.09377   112.67345    58.36916
   40    33 S   CT   _C18    97     1.54479   110.76380    52.41004
   41    40 S   HC   _H55    98     1.09561   111.62021   -57.83929
   42    40 S   HC   _H56    99     1.09924   108.77592  -173.31669
   43    37 S   CO4  _C4_    40     1.51221   111.37035   -64.48346
   44    43 S   O    _O27    41     1.22976   121.65175   131.18877
   45    43 S   CT   _C6_    42     1.50839   116.25441   -53.70660
   46    45 S   HC   _H31    43     1.09513   109.19071   170.69103
   47    45 S   HC   _H32    44     1.09574   107.66486   -72.42628
   48    45 S   CT   _C8_    45     1.52558   111.73658    49.03752
   49    48 S   HC   _H35    46     1.09596   109.77321    75.23969
   50    48 S   HC   _H36    47     1.09540   107.10600  -169.78747
   51    33 S   CT   _C19    48     1.57323   109.93952   172.74612
   52    51 S   HC   _H57    49     1.10180   106.87305   177.71964
   53    51 S   CT   _C20    50     1.55913   111.98632   -66.53475
   54    53 S   HC   _H58    51     1.09834   108.50061    60.82538
   55    53 S   CT   _C12    52     1.54994   113.31474   177.77270
   56    55 S   HC   _H43    53     1.09605   109.72052    51.26505
   57    55 S   HC   _H44    54     1.09603   109.76180   -65.36796
   58    55 S   CT   _C17    55     1.53984   113.53856   174.66961
   59    58 S   HC   _H53    56     1.09787   108.35338    69.12981
   60    58 S   HC   _H54    57     1.09661   109.66434  -175.27561
   61    58 S   CT   _C25    58     1.53398   111.72666   -52.12911
   62    61 S   CT   _C22    59     1.54141   108.17225    55.94103
   63    62 S   HC   _H60    60     1.10310   108.47730    55.57420
   64    61 S   CT   _C27   100     1.55062   109.28101   -69.59705
   65    64 S   HC   _H63   101     1.09449   112.48679  -177.51462
   66    64 S   HC   _H64   102     1.09306   112.78532    61.49685
   67    64 S   HC   _H65   103     1.09634   110.60429   -57.89993
   68    62 S   CT   _C11    61     1.52549   103.43154   167.79786
   69    68 S   HC   _H41    62     1.09477   111.99907  -155.16850
   70    68 S   HC   _H42    63     1.09566   111.55462    84.13253
   71    53 S   CT   _C21    92     1.55898   109.66030   -56.80661
   72    71 S   HC   _H59    93     1.09723   108.65257   -60.61392
   73    68 S   CT   _C16    64     1.53947   103.99333   -34.86443
   74    73 S   HC   _H51    65     1.09579   110.77748   130.09626
   75    73 S   HC   _H52    66     1.09575   110.63533  -111.49057
   76    71 S   CT   _C13    94     1.53310   111.30427    56.64760
   77    76 S   HC   _H45    95     1.09657   109.79926  -175.81652
   78    76 S   HC   _H46    96     1.09599   110.42250    67.20394
   79    61 S   CT   _C24    67     1.54446   114.69762   165.81554
   80    79 S   HC   _H62    68     1.09904   109.73258   -39.75363
   81    79 S   OS   _O29    69     1.43173   111.77728    81.93976
   82    81 S   CO4  _C5_    70     1.36544   116.71432  -167.95816
   83    82 S   O    _O28    71     1.22291   125.91775     0.12033
   84    82 S   CT   _C28    72     1.51169   108.79279  -179.60883
   85    84 S   HC   _H66    73     1.09580   108.11673   -56.89163
   86    84 S   HC   _H67    74     1.09521   107.82038    60.96756
   87    84 S   CT   _C29    75     1.52878   111.92504  -177.71390
   88    87 S   HC   _H68    76     1.09773   109.45491   -60.46888
   89    87 S   HC   _H69    77     1.09772   109.34937    55.48830
   90    87 S   CT   _C23    78     1.52917   112.54322   176.70449
   91    90 S   HC   _H61    79     1.09863   109.36292   -58.00642
   92    90 S   CT   _C14    80     1.52722   112.55341  -179.20574
   93    92 S   HC   _H47    81     1.09433   112.42735    74.28585
   94    92 S   HC   _H48    82     1.09698   110.93877   -46.79971
   95    92 S   CT   _C9_    83     1.52268   103.57250  -164.63489
   96    95 S   HC   _H37    84     1.09645   110.05083   -88.06856
   97    95 S   HC   _H38    85     1.09435   111.83257   152.50550
   98    95 S   CT   _C10    86     1.52826   105.72282    30.23156
   99    98 S   HC   _H39    87     1.09508   111.52078   113.67828
  100    98 S   HC   _H40    88     1.09577   110.06286  -127.27933
  101    90 S   CT   _C15    89     1.52814   114.36939    64.71957
  102   101 S   HC   _H49    90     1.09699   110.76710    40.89938
  103   101 S   HC   _H50    91     1.09449   112.40509   -79.65728
  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
  21   2   1   1  15   6   5  13   6   5   8   4   8   5   4   8
   4   3  11   4  16   8  12   6   5  15   5   4  19  19   9   9
   3   2   1  11   6   5   6   3   6   4   3   2   1   1   5   2
   6   8   4   9   5   4  12   5   4  13   8  11   6   5   8   5
   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    53    76    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    54    55    71    76    77    78    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    53    76    40    41    42  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    43    48    51    52    53    62    71    72    76    77    78  
   42    51    71    76    77    78  
   51    71    76    77    78  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55    71  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    58    62    71    72    76  
   53    54    55    71  
   54    55    56    57    58    59    60    61    62    63    68    71    72    76    77    78  
   55    56    57    58    62    71    72    76  
   56    57    58    59    60    61    62    79    71    72    76    64  
   57    58    59    60    61    71  
   58    59    60    61    71  
   59    60    61    62    63    68    73    79    80    81    71    64    65    66    67  
   60    61    62    79    64  
   61    62    79    64  
   62    63    68    69    70    73    74    75    79    80    81    82    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    80    81    71    72    76    77    78    64    65    66    67  
   68    69    70    73    79    71    72    76    64  
   65    66    67    68    71    73    79    80    81  
   66    67    79  
   67    79  
   79  
   69    70    73    74    75    79    80    81    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    73    79  
   76    77    78  
   74    75    79    80    81    82  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81    82    83    84  
   81    82  
   82    83    84    85    86    87  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87    88    89    90    91    92   101  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90    91    92    93    94    95    98   101   102   103  
   89    90    91    92   101  
   90    91    92   101  
   91    92    93    94    95    96    97    98    99   100   101   102   103  
   92    93    94    95    98   101   102   103  
   93    94    95    96    97    98    99   100   101   102   103  
   94    95    96    97    98   101  
   95    96    97    98   101  
   96    97    98    99   100   101   102   103  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    71   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    79   268.000  1.529
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   320.000  1.410
   81    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   268.000  1.529
   90   101   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    71    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    58.35000  112.70000
   53    71    62    58.35000  112.70000
   53    71    72    37.50000  110.70000
   53    71    76    58.35000  112.70000
   55    53    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    79    58.35000  112.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    79    73    58.35000  112.70000
   61    79    80    37.50000  110.70000
   61    79    81    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    50.00000  109.50000
   75    73    74    33.00000  107.80000
   79    61    62    58.35000  112.70000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    81    82    83.00000  116.90000
   81    79    80    35.00000  109.50000
   81    82    83    83.00000  123.40000
   81    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    63.00000  111.10000
   84    82    83    80.00000  120.40000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    90    92    58.35000  112.70000
   87    90   101    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    95    58.35000  112.70000
   90   101    98    58.35000  112.70000
   90   101   102    37.50000  110.70000
   90   101   103    37.50000  110.70000
   92    90    91    37.50000  110.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    90    91    37.50000  110.70000
  101    90    92    58.35000  112.70000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
   71    53    54    37.50000  110.70000
   71    53    55    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    40    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    40    41    37.50000  110.70000
   76    40    42    37.50000  110.70000
   78    76    77    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    76    78    37.50000  110.70000
   42    40    41    33.00000  107.80000
   64    61    62    58.35000  112.70000
   64    61    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
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   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   99    98   101    90   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
  100    98   101    90   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  101    90    92    93   0.15000  1.0 3.0
  101    90    92    94   0.15000  1.0 3.0
  101    90   -92    95   0.56750  1.0 1.0
  101    90   -92    95  -0.07550 -1.0 2.0
  101    90   -92    95   0.20000  1.0 3.0
   71    53    55    56   0.15000  1.0 3.0
   71    53    55    57   0.15000  1.0 3.0
   71    53   -55    58   0.56750  1.0 1.0
   71    53   -55    58  -0.07550 -1.0 2.0
   71    53   -55    58   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76   -40    33   0.56750  1.0 1.0
   71    76   -40    33  -0.07550 -1.0 2.0
   71    76   -40    33   0.20000  1.0 3.0
   71    76    40    41   0.15000  1.0 3.0
   71    76    40    42   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    40   0.15000  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    42   0.15000  1.0 3.0
   78    76    40    33   0.15000  1.0 3.0
   78    76    40    41   0.15000  1.0 3.0
   78    76    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33   -51    53   0.56750  1.0 1.0
   40    33   -51    53  -0.07550 -1.0 2.0
   40    33   -51    53   0.20000  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    79    73   0.56750  1.0 1.0
   64    61    79    73  -0.07550 -1.0 2.0
   64    61    79    73   0.20000  1.0 3.0
   64    61    79    80   0.15000  1.0 3.0
   64    61    79    81   0.62750  1.0 1.0
   64    61    79    81  -0.30950 -1.0 2.0
   64    61    79    81   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   81    84    82    83  10.50000 -1.0 2.0
END
