* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    317     586
    1     0 S   NP   _N1_     1    28.72688    95.15835   -22.57246
    2     1 S   H    _HN1     2     1.02781    98.10126   -93.49580
    3     1 S   H    _H1_     3     1.02953    82.22190    14.05385
    4     1 S   H    _H2_     4     1.02827    31.86215   155.45517
    5     1 S   CT   _CA1     5     1.50121   140.05792   126.65760
    6     5 S   HC   _HA1     6     1.09574   105.20420    74.99785
    7     5 S   CO3  _C1_     7     1.53794   112.42021   -45.21446
    8     7 S   O2Z  _O11     8     1.26369   115.01091   -43.07978
    9     7 S   O2Z  _O12     9     1.26240   114.94659   136.02618
   10     5 S   CT   _CB1    10     1.53081   107.40674  -167.05698
   11    10 S   HC   HB11    11     1.09830   109.36009   -50.03958
   12    10 S   HC   HB12    12     1.09814   110.44106    66.55466
   13    10 S   CT   _CG1    13     1.52982   112.62214  -171.05701
   14    13 S   HC   HG11    14     1.09590   110.55501   -64.97790
   15    13 S   HC   HG12    15     1.09667   109.86380    54.25200
   16    13 S   C    _CD1    16     1.51803   112.28607   174.65045
   17    16 S   O    _OE1    17     1.22727   123.31247     3.37139
   18    16 S   N    _N2_    18     1.38648   111.61727  -176.60016
   19    18 S   H    _HN2    19     1.01584   118.96601     1.75122
   20    18 S   CT1  _CA2    20     1.46205   123.40056   178.43265
   21    20 S   HC   _HA2    21     1.09743   109.38203     0.45241
   22    20 S   C    _C2_    22     1.53541   108.65977  -115.02275
   23    22 S   O    _O2_    23     1.23060   122.27763  -148.69597
   24    20 S   CT   _CB2    32     1.53603   111.57981   122.43300
   25    24 S   HC   HB21    33     1.09472   109.12096    55.69995
   26    24 S   HC   HB22    34     1.09148   109.45456   174.40339
   27    22 S   N    _N3_    24     1.38331   113.69998    38.81671
   28    27 S   H    _HN3    25     1.01598   119.55618    -3.50319
   29    24 S   S    _SG2    35     1.82926   110.82856   -64.53131
   30    27 S   CT   _CA3    26     1.45284   123.16992   177.04633
   31    30 S   HC   HA31    27     1.09550   107.52228   -64.16279
   32    30 S   HC   HA32    28     1.09558   107.96059    52.25756
   33    29 S   CT   _C22    36     1.92116   105.05678  -170.60418
   34    30 S   CO3  _C3_    29     1.52947   114.11706   174.25410
   35    34 S   O2Z  _O31    30     1.26371   116.07218    -0.42151
   36    34 S   O2Z  _O32    31     1.26431   114.40767   179.63203
   37    33 S   CT   _C9_    37     1.54893   108.74459   -32.62014
   38    37 S   HC   _H35    38     1.09499   111.33901   171.42334
   39    37 S   HC   _H36    39     1.09300   112.19989    54.65433
   40    33 S   CT   _C16    54     1.56514   109.21742    90.03452
   41    40 S   HC   _H47    55     1.09792   107.50629  -179.65850
   42    37 S   CO4  _C6_    40     1.51985   112.73829   -67.48869
   43    42 S   O    _O25    41     1.23034   121.32998   159.86842
   44    40 S   CT   _C24    56     1.53458   116.05635   -62.84942
   45    44 S   HC   _H52    57     1.09363   112.19741    70.49565
   46    44 S   HC   _H53    58     1.09314   111.90068   -52.43391
   47    44 S   HC   _H54    59     1.09645   109.96601  -170.91299
   48    42 S   CM   _C4_    42     1.48405   119.29222   -21.58733
   49    48 S   HC   _H33    43     1.08375   117.68721   175.03576
   50    48 S   CM   _C5_    44     1.34002   120.75867    -6.37215
   51    50 S   HC   _H34    45     1.08556   117.31771  -177.53502
   52    33 S   CT   _C18    46     1.61796   110.11505  -151.33078
   53    52 S   CT   _C21    47     1.59402   110.92045   -61.88213
   54    53 S   F    _F31    48     1.37824   107.19557    60.98454
   55    52 S   CT   _C25    95     1.56359   111.34928   175.80339
   56    55 S   HC   _H55    96     1.09222   113.00126    72.39662
   57    55 S   HC   _H56    97     1.09330   113.17109   -49.04166
   58    55 S   HC   _H57    98     1.09473   111.83826  -165.96295
   59    53 S   CT   _C15    49     1.56269   111.06481   -54.91166
   60    59 S   HC   _H46    50     1.09414   109.39236   -67.33969
   61    53 S   CT   _C17    73     1.56170   117.11134   176.20852
   62    61 S   HC   _H48    74     1.09534   108.74019   -62.06194
   63    59 S   CT   _C12    51     1.53742   112.83961    51.04615
   64    63 S   HC   _H41    52     1.09687   109.86820    73.03976
   65    63 S   HC   _H42    53     1.09812   108.49151  -171.99526
   66    59 S   CT   _C14    60     1.53977   108.67681   173.89902
   67    66 S   HC   _H45    61     1.10233   106.07351   -58.17566
   68    61 S   OH   _O28    75     1.41834   112.73125    56.29310
   69    68 S   HO   _H63    76     0.97251   107.86308  -175.75924
   70    66 S   CT   _C10    62     1.52287   118.79225  -176.64485
   71    70 S   HC   _H37    63     1.09485   112.16701    75.87986
   72    70 S   HC   _H38    64     1.09582   111.49147   -44.83867
   73    70 S   CT   _C11    65     1.54000   104.08502  -163.99433
   74    73 S   HC   _H39    66     1.09516   108.48290   133.07922
   75    73 S   HC   _H40    67     1.09618   109.76136  -109.97006
   76    73 S   CT   _C19    68     1.55763   106.78595    10.91115
   77    66 S   CT   _C20    69     1.54963   113.89195    61.00236
   78    76 S   CO4  _C7_    81     1.53871   112.86046   144.44872
   79    78 S   O    _O26    82     1.23281   121.54496    -4.49893
   80    76 S   OH   _O29    93     1.42802   107.95513   -98.60304
   81    80 S   HO   _H64    94     0.97292   108.28030   -55.49773
   82    77 S   CT   _C13    70     1.54559   106.74594   -60.20256
   83    82 S   HC   _H43    71     1.09692   109.97849   -65.98879
   84    82 S   HC   _H44    72     1.09472   109.91164   176.92820
   85    77 S   CT   _C26    77     1.55284   113.23177    62.07826
   86    85 S   HC   _H58    78     1.09504   112.49967    69.25112
   87    85 S   HC   _H59    79     1.09130   113.32074   -51.08018
   88    85 S   HC   _H60    80     1.09551   110.71528  -171.35718
   89    78 S   CT   _C27    83     1.52057   117.59422   175.42200
   90    89 S   HC   _H61    84     1.09253   108.80961    75.28661
   91    89 S   HC   _H62    85     1.09367   109.68618   -46.79608
   92    89 S   OS   _O30    86     1.43050   108.63076  -166.01186
   93    92 S   CO4  _C8_    87     1.36259   115.23578  -178.14017
   94    93 S   O    _O27    88     1.22340   126.18362    -0.04423
   95    93 S   CT   _C23    89     1.49832   109.63496   179.95577
   96    95 S   HC   _H49    90     1.09290   109.83417   -60.93979
   97    95 S   HC   _H50    91     1.09380   109.35690  -180.00000
   98    95 S   HC   _H51    92     1.09289   109.83530    60.97734
  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
  26   2   1   1  14   6   5  16   9   6   3   8   3   2   1   6
   3  10   3  14  21   9   5   2   1   1  17   8  11   6   6   2
   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5   4
   1   6   2   1   3   2   1   1   6   3   2   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    52    53    63    40    41    44    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    50    51    52    53    54    59    63    64    65    40    41    44    45    46    47    61    55    56    57    58  
   35    36  
   36  
    0  
   38    39    42    43    48    49    50    52    53    63    40    41    44    55  
   39    42    43    48    52    40  
   42    43    48    52    40  
   41    44    45    46    47    66    55    42    50    52    53    59    60    63    64    65  
   44    45    46    47    52    59    63    64    65  
   43    48    49    50    51    52  
   48    49    50  
   45    46    47    52    59    63    64    65  
   46    47    63  
   47    63  
   63  
   49    50    51    52    53    55  
   50    51    52  
   51    52    53    54    59    61    55    56    57    58  
   52    53    55  
   53    54    59    60    63    66    82    61    62    68    55    56    57    58  
   54    59    60    63    64    65    66    67    70    77    82    83    84    61    62    68    69    55    56    57    58  
   59    60    63    66    82    61    62    68    55  
   56    57    58    59    61  
   57    58  
   58  
    0  
   60    63    64    65    66    67    70    71    72    73    76    77    82    61    62    68    85  
   63    64    65    66    67    70    77    61  
   62    68    69    85    63    66    76    77    82    83    84  
   68    69    77    82    83    84  
   64    65    66    67    70    77  
   65    66  
   66  
   67    70    71    72    73    74    75    76    77    82    83    84    85    86    87    88    78    80  
   70    71    72    73    76    77    82    85  
   69    77    82    83    84  
   82  
   71    72    73    74    75    76    77    82    85    78    80  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77    82    85    78    79    89    80    81  
   75    76    77    78    80  
   76    77    78    80  
   77    82    83    84    85    86    87    88    78    79    89    90    91    92    80    81  
   82    83    84    85    86    87    88    78    79    89    80    81  
   79    89    90    91    92    93    80    81    82    85  
   89    90    91    92    80  
   81    82    85    89  
    0  
   83    84    85    86    87    88  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93  
   93    94    95    96    97    98  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   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    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    48   320.000  1.462
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   268.000  1.529
   52    55   268.000  1.529
   53    54   367.000  1.332
   53    59   268.000  1.529
   53    61   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    77   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    78   317.000  1.522
   76    80   320.000  1.410
   77    82   268.000  1.529
   77    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    61   268.000  1.529
   61    62   340.000  1.090
   61    68   320.000  1.410
   68    69   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   78    79   570.000  1.229
   78    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   320.000  1.410
   92    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   80    81   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    52    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    42    63.00000  111.10000
   33    52    50    70.00000  112.02700
   33    52    53    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    48    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    48    49    40.00000  117.72500
   42    48    50    65.00000  118.96000
   48    42    43    80.00000  123.72100
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    70.00000  112.02700
   50    52    55    70.00000  112.02700
   52    33    37    58.35000  112.70000
   52    50    51    35.00000  117.00000
   52    53    54    50.00000  109.50000
   52    53    59    58.35000  112.70000
   52    53    61    58.35000  112.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    63    58.35000  112.70000
   53    59    66    58.35000  112.70000
   53    61    82    58.35000  112.70000
   53    61    62    37.50000  110.70000
   53    61    68    50.00000  109.50000
   59    53    54    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    40    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    70    58.35000  112.70000
   59    66    77    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    40    41    37.50000  110.70000
   63    40    44    58.35000  112.70000
   65    63    64    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    58.35000  112.70000
   66    77    76    58.35000  112.70000
   66    77    82    58.35000  112.70000
   66    77    85    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    78    63.00000  111.10000
   73    76    80    50.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    82    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    78    79    80.00000  120.40000
   76    78    89    70.00000  116.00000
   76    80    81    55.00000  108.50000
   77    66    67    37.50000  110.70000
   77    66    70    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    61    58.35000  112.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   82    61    62    37.50000  110.70000
   82    61    68    50.00000  109.50000
   84    82    83    33.00000  107.80000
   61    53    54    50.00000  109.50000
   61    53    59    58.35000  112.70000
   61    82    83    37.50000  110.70000
   61    82    84    37.50000  110.70000
   61    68    69    55.00000  108.50000
   68    61    62    35.00000  109.50000
   85    77    82    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   78    76    77    63.00000  111.10000
   78    89    90    35.00000  109.50000
   78    89    91    35.00000  109.50000
   78    89    92    90.00000  108.74100
   89    78    79    80.00000  120.40000
   89    92    93    83.00000  116.90000
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    83.00000  123.40000
   92    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   80    76    77    50.00000  109.50000
   80    76    78    90.00000  109.61100
   55    52    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
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   89    92    93    95   1.63150  1.0 1.0
   89    92    93    95   2.92000 -1.0 2.0
   90    89    92    93   0.08050  1.0 3.0
   91    89    92    93   0.08050  1.0 3.0
   92    93    95    96   0.00000  1.0 1.0
   92    93    95    97   0.00000  1.0 1.0
   92    93    95    98   0.00000  1.0 1.0
   94    93    95    96   0.00000  1.0 1.0
   94    93    95    97   0.00000  1.0 1.0
   94    93    95    98   0.00000  1.0 1.0
   80    76    77    66   0.86500  1.0 1.0
   80    76    77    66  -0.17500 -1.0 2.0
   80    76    77    66   0.20800  1.0 3.0
   80    76    77    82   0.86500  1.0 1.0
   80    76    77    82  -0.17500 -1.0 2.0
   80    76    77    82   0.20800  1.0 3.0
   80    76    77    85   0.86500  1.0 1.0
   80    76    77    85  -0.17500 -1.0 2.0
   80    76    77    85   0.20800  1.0 3.0
   80    76    78    79   0.30150 -1.0 2.0
   80    76    78    89   0.55300  1.0 1.0
   80    76    78    89   1.25850 -1.0 2.0
   80    76    78    89  -0.23600  1.0 3.0
   55    52    53    54   0.39650  1.0 1.0
   55    52    53    54  -0.18350 -1.0 2.0
   55    52    53    54   0.41450  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    61   0.56750  1.0 1.0
   55    52    53    61  -0.07550 -1.0 2.0
   55    52    53    61   0.20000  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    48    42    43  10.50000 -1.0 2.0
   42    49    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   76    89    78    79  10.50000 -1.0 2.0
   92    95    93    94  10.50000 -1.0 2.0
END
