* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    309     583
    1     0 S   NP   _N1_     1    28.75287    94.87637   -19.94707
    2     1 S   H    _HN1     2     1.02834    38.22910   130.38449
    3     1 S   H    _H1_     3     1.02780    82.80869   -98.29377
    4     1 S   H    _H2_     4     1.02964    88.79351    10.35391
    5     1 S   CT   _CA1     5     1.50179   148.71314   139.85577
    6     5 S   HC   _HA1     6     1.09545   105.27393    53.19304
    7     5 S   CO3  _C1_     7     1.53927   112.17592   -67.33353
    8     7 S   O2Z  _O11     8     1.26394   114.92211   -41.75055
    9     7 S   O2Z  _O12     9     1.26196   115.16653   137.10330
   10     5 S   CT   _CB1    10     1.53103   107.40634   171.58959
   11    10 S   HC   HB11    11     1.09823   109.94861   -44.41307
   12    10 S   HC   HB12    12     1.09824   110.15815    72.31149
   13    10 S   CT   _CG1    13     1.53017   112.55189  -165.23530
   14    13 S   HC   HG11    14     1.09409   110.58361   -55.34277
   15    13 S   HC   HG12    15     1.09631   109.98736    63.69420
   16    13 S   C    _CD1    16     1.51794   112.12994  -175.82599
   17    16 S   O    _OE1    17     1.22742   123.16255    -5.55527
   18    16 S   N    _N2_    18     1.38652   111.82456   174.47065
   19    18 S   H    _HN2    19     1.01575   119.08618     2.75399
   20    18 S   CT1  _CA2    20     1.46270   123.18873  -177.14714
   21    20 S   HC   _HA2    21     1.09727   109.34669    -6.24808
   22    20 S   C    _C2_    22     1.53373   108.75501  -122.11544
   23    22 S   O    _O2_    23     1.23030   122.10916  -146.49079
   24    20 S   CT   _CB2    32     1.53460   111.40646   115.42039
   25    24 S   HC   HB21    33     1.09469   109.86259    61.38824
   26    24 S   HC   HB22    34     1.09539   110.43605   179.22393
   27    22 S   N    _N3_    24     1.38465   113.49881    40.84761
   28    27 S   H    _HN3    25     1.01516   118.93353    -0.55953
   29    24 S   S    _SG2    35     1.83007   111.54468   -61.57766
   30    27 S   CT   _CA3    26     1.45454   123.49156   175.20588
   31    30 S   HC   HA31    27     1.09518   109.30916    23.15732
   32    30 S   HC   HA32    28     1.09496   107.10826   140.16353
   33    29 S   CT   _C15    36     1.85237   100.27722   144.11547
   34    33 S   HC   _H3_    37     1.09766   106.25618    43.73619
   35    30 S   CO3  _C3_    29     1.52912   113.04591  -100.37328
   36    35 S   O2Z  _O31    30     1.26407   115.36844   -45.51942
   37    35 S   O2Z  _O32    31     1.26350   115.00543   135.40156
   38    33 S   CT   _C8_    38     1.54250   109.88169   -74.20990
   39    38 S   HC   _H36    39     1.09667   109.95634    39.09771
   40    38 S   CO4  _C4_    40     1.53249   110.05888   -78.91270
   41    40 S   O    _O23    41     1.23294   118.73290   118.83146
   42    38 S   OS   _O29    94     1.42071   108.81062   156.19897
   43    40 S   CT   _C16    42     1.55549   118.24255   -56.15743
   44    42 S   CT   _C24    95     1.42275   113.05749  -162.99168
   45    44 S   HC   _H56    96     1.09328   108.18240  -178.85192
   46    44 S   HC   _H57    97     1.09422   110.43662    62.56689
   47    44 S   HC   _H58    98     1.09378   111.03427   -59.92127
   48    43 S   CT   _C9_    43     1.57128   101.44081    60.89409
   49    48 S   HC   _H37    44     1.10031   106.51745    54.19718
   50    43 S   CT   _C21    90     1.53996   109.23341   -60.63892
   51    50 S   HC   _H47    91     1.08669   113.19889  -174.95570
   52    50 S   HC   _H48    92     1.09034   113.77369    65.21709
   53    50 S   HC   _H49    93     1.09536   111.04355   -54.19106
   54    48 S   CT   _C7_    45     1.53468   112.65971   168.56923
   55    54 S   HC   _H34    46     1.09335   110.38022    67.31327
   56    54 S   HC   _H35    47     1.09633   109.34918  -176.00727
   57    33 S   CT   _C11    84     1.56314   112.13510   160.19547
   58    57 S   HC   _H39    85     1.09598   107.02754  -168.21271
   59    54 S   CT   _C12    48     1.53922   111.42108   -58.25354
   60    59 S   HC   _H40    49     1.09789   107.52270  -179.23767
   61    57 S   CT   _C20    86     1.53754   111.60840   -54.43297
   62    61 S   HC   _H44    87     1.09442   112.21853    77.08810
   63    61 S   HC   _H45    88     1.09548   110.90451   -44.33785
   64    61 S   HC   _H46    89     1.09531   110.65398  -162.53210
   65    59 S   CT   _C17    50     1.54230   112.82579    58.76064
   66    59 S   OS   _O25    64     1.44618   106.03160   -66.55488
   67    43 S   CT   _C10    51     1.58980   110.96617   177.62348
   68    67 S   HC   _H38    52     1.09848   102.79985   -42.20334
   69    65 S   CT   _C22    80     1.56196   105.74266    71.50572
   70    69 S   HC   _H50    81     1.09575   111.53832    72.78961
   71    69 S   HC   _H51    82     1.09043   113.27532   -44.68990
   72    69 S   HC   _H52    83     1.09036   113.68616  -166.05673
   73    67 S   CT   _C13    53     1.56237   116.28600    71.93172
   74    73 S   HC   _H41    54     1.09277   111.35596    70.85190
   75    73 S   CT   _C14    55     1.54526   111.22126  -166.64832
   76    75 S   HC   _H42    56     1.09648   108.46105    66.52140
   77    73 S   OH   _O26    78     1.42682   111.59080   -45.54439
   78    77 S   HO   _H62    79     0.97513   108.08582   -58.08151
   79    75 S   CT   _C19    57     1.55294   113.23026   -54.58378
   80    75 S   OS   _O30    73     1.44041   108.72867  -175.11288
   81    65 S   CT   _C18    58     1.57801   108.16715  -170.72591
   82    79 S   CT   _C23    67     1.54122   109.61631   176.47202
   83    82 S   HC   _H53    68     1.09483   111.55999   179.36696
   84    82 S   HC   _H54    69     1.09638   110.97590    62.10039
   85    82 S   HC   _H55    70     1.09415   112.07826   -58.55902
   86    79 S   OH   _O28    71     1.43755   107.91829   -69.86587
   87    86 S   HO   _H64    72     0.97323   107.32598   173.67702
   88    80 S   CT   _C25    74     1.42146   113.31452  -105.52978
   89    88 S   HC   _H59    75     1.09327   108.20920  -179.55545
   90    88 S   HC   _H60    76     1.09264   111.04115    61.54204
   91    88 S   HC   _H61    77     1.09430   110.42569   -60.99982
   92    81 S   CT   _C6_    59     1.53750   110.96246    52.21696
   93    92 S   HC   _H32    60     1.09763   109.53249  -163.49350
   94    92 S   HC   _H33    61     1.09327   111.91573    77.63435
   95    81 S   OH   _O27    65     1.44263   108.10346   -63.70244
   96    95 S   HO   _H63    66     0.97173   109.11468   170.53874
   97    92 S   CO4  _C5_    62     1.50239   115.73041   -44.32719
   98    97 S   O    _O24    63     1.22906   121.13527  -154.92331
  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  10   5   4   3
  17   8   2   1   1  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  21   8  16   6   8   3   2   1  11   6  18   7   3   1  15   7
  13   7   3   2   1   3   1   3   2   1   1   6   4   3   2   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    67    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    67    68    73    57    50    51    52    53    42    44  
   43    48    67    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    67    68    73    74    75    81    77    69    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    67    68    73    66    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    67    57    58    61    50  
   51    52    53    54    57    65    67    68    73  
   52    53    67  
   53    67  
   67  
   55    56    59    60    65    67    81    97    66    69    57    58    61  
   56    59    60    65    66    57  
   59    60    65    66    57  
   58    61    62    63    64    59    67  
   61    62    63    64  
   60    65    67    68    73    79    81    92    97    98    66    95    69    70    71    72  
   65    67    81    97    66    69  
   62    63    64  
   63    64  
   64  
    0  
   67    68    73    74    75    79    81    92    93    94    97    66    95    96    82    86    77    69    70    71    72  
   69    67    81    92    93    94    97    98  
   68    73    74    75    76    79    81    92    95    80    77    78    69    70    71    72  
   73    74    75    81    77    69  
   70    71    72    73    79    81    92    95  
   71    72    81  
   72    81  
   81  
   74    75    76    79    81    82    86    80    88    77    78  
   75    76    79    80    77    78  
   76    79    81    92    95    82    83    84    85    86    87    80    88    89    90    91    77    78  
   79    81    82    86    80    88    77  
   78    79    80  
    0  
   81    92    93    94    97    95    96    82    83    84    85    86    87    80    88  
   88    89    90    91    81    82    86  
   92    93    94    97    98    95    96    82    83    84    85    86    87  
   83    84    85    86    87    92    95  
   84    85    86  
   85    86  
   86  
   87    92    95  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    97    98    95    96  
   94    97    98    95  
   97    98    95  
   96    97  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    67   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    66   320.000  1.410
   65    67   268.000  1.529
   65    81   268.000  1.529
   65    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    80   320.000  1.410
   79    81   268.000  1.529
   79    82   268.000  1.529
   79    86   320.000  1.410
   81    92   268.000  1.529
   81    95   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    97   317.000  1.522
   97    98   570.000  1.229
   97    66   214.000  1.327
   95    96   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   553.000  0.945
   80    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   77    78   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    67    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    67    65    58.35000  112.70000
   43    67    68    37.50000  110.70000
   43    67    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    81    58.35000  112.70000
   59    65    69    58.35000  112.70000
   59    66    97    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    73    58.35000  112.70000
   65    81    79    58.35000  112.70000
   65    81    92    58.35000  112.70000
   65    81    95    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    43    48    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    75    58.35000  112.70000
   67    73    77    50.00000  109.50000
   73    67    68    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    79    58.35000  112.70000
   73    75    80    50.00000  109.50000
   73    77    78    55.00000  108.50000
   75    73    74    37.50000  110.70000
   75    79    81    58.35000  112.70000
   75    79    82    58.35000  112.70000
   75    79    86    50.00000  109.50000
   75    80    88    60.00000  109.50000
   79    75    76    37.50000  110.70000
   79    81    92    58.35000  112.70000
   79    81    95    50.00000  109.50000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   79    86    87    55.00000  108.50000
   81    65    67    58.35000  112.70000
   81    92    93    37.50000  110.70000
   81    92    94    37.50000  110.70000
   81    92    97    63.00000  111.10000
   81    95    96    55.00000  108.50000
   92    97    98    80.00000  120.40000
   92    97    66    81.00000  111.40000
   94    92    93    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    94    35.00000  109.50000
   66    59    60    35.00000  109.50000
   66    59    65    50.00000  109.50000
   66    97    98    83.00000  123.40000
   95    81    92    50.00000  109.50000
   82    79    81    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    79    81    50.00000  109.50000
   86    79    82    50.00000  109.50000
   80    75    76    35.00000  109.50000
   80    75    79    50.00000  109.50000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    50.00000  109.50000
   69    65    67    58.35000  112.70000
   69    65    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
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   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40  -0.95700  1.0 1.0
   57    33   -38    40  -0.18200 -1.0 2.0
   57    33   -38    40   0.29450  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    54   0.56750  1.0 1.0
   50    43    48    54  -0.07550 -1.0 2.0
   50    43    48    54   0.20000  1.0 3.0
   50    43    48    57   0.56750  1.0 1.0
   50    43    48    57  -0.07550 -1.0 2.0
   50    43    48    57   0.20000  1.0 3.0
   50    43    67    65   0.56750  1.0 1.0
   50    43    67    65  -0.07550 -1.0 2.0
   50    43    67    65   0.20000  1.0 3.0
   50    43    67    68   0.15000  1.0 3.0
   50    43    67    73   0.56750  1.0 1.0
   50    43    67    73  -0.07550 -1.0 2.0
   50    43    67    73   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   92    66    97    98  10.50000 -1.0 2.0
END
