* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    194    348     595
    1     0 S   NP   _N1_     1    29.04110    96.15077   -25.52270
    2     1 S   H    _HN1     2     1.02947    70.70276     8.93228
    3     1 S   H    _H1_     3     1.02826    36.39887  -170.60979
    4     1 S   H    _H2_     4     1.02793   120.20281   -91.59534
    5     1 S   CT   _CA1     5     1.50139   124.21863   110.96660
    6     5 S   HC   _HA1     6     1.09575   105.14252    97.75328
    7     5 S   CO3  _C1_     7     1.53767   112.44366   -22.40421
    8     7 S   O2Z  _O11     8     1.26377   115.00353   -42.57027
    9     7 S   O2Z  _O12     9     1.26236   114.94153   136.34041
   10     5 S   CT   _CB1    10     1.53049   107.38477  -144.31496
   11    10 S   HC   HB11    11     1.09842   109.29444   -49.37291
   12    10 S   HC   HB12    12     1.09809   110.49393    67.21388
   13    10 S   CT   _CG1    13     1.53018   112.65356  -170.30888
   14    13 S   HC   HG11    14     1.09569   110.72729   -67.93978
   15    13 S   HC   HG12    15     1.09671   109.69982    51.31157
   16    13 S   C    _CD1    16     1.51819   111.95827   171.75864
   17    16 S   O    _OE1    17     1.22760   123.16972    12.62551
   18    16 S   N    _N2_    18     1.38637   111.84232  -167.29836
   19    18 S   H    _HN2    19     1.01570   119.05418     0.69239
   20    18 S   CT1  _CA2    20     1.46210   123.37875   176.59521
   21    20 S   HC   _HA2    21     1.09749   109.22643     8.51993
   22    20 S   C    _C2_    22     1.53722   109.19215  -106.99634
   23    22 S   O    _O2_    23     1.23100   122.16579  -151.18972
   24    20 S   CT   _CB2    32     1.53436   111.60184   130.44492
   25    24 S   HC   HB21    33     1.09513   109.74692    56.74867
   26    24 S   HC   HB22    34     1.09371   109.50187   175.52587
   27    22 S   N    _N3_    24     1.38292   114.00305    36.37358
   28    27 S   H    _HN3    25     1.01532   119.60805    -3.35112
   29    24 S   S    _SG2    35     1.83410   110.97079   -64.82186
   30    27 S   CT   _CA3    26     1.45273   123.28876   177.15057
   31    30 S   HC   HA31    27     1.09547   107.52969   -64.45307
   32    30 S   HC   HA32    28     1.09556   107.97647    51.99863
   33    29 S   CT   _C24    36     1.86943   102.33074   176.83127
   34    33 S   OM   _O37    37     1.33165   103.55691   -68.10896
   35    30 S   CO3  _C3_    29     1.52975   114.05218   174.00488
   36    35 S   O2Z  _O31    30     1.26384   116.09575     0.16313
   37    35 S   O2Z  _O32    31     1.26428   114.41164  -179.78971
   38    33 S   CT   _C23    38     1.60270   116.57548   176.74472
   39    38 S   HC   _H16    39     1.10913   105.95081   133.66285
   40    33 S   CT   _C19    90     1.58909   114.06249    47.70726
   41    40 S   HC   _H6_    91     1.09780   108.93420   -65.79083
   42    38 S   CO4  _C25    40     1.54100   118.92504    22.27892
   43    42 S   O    _O38    41     1.22657   123.91739    15.75436
   44    42 S   CA   _C26    42     1.49182   117.71934  -170.95358
   45    44 S   CA   _C27    43     1.39880   119.96983     0.58316
   46    45 S   CA   _C28    44     1.40264   120.84756  -176.32475
   47    46 S   HA   _H17    45     1.08816   120.31572  -179.33825
   48    45 S   CO4  _C33    56     1.48040   120.62497     5.79562
   49    48 S   O    _O40    57     1.22595   119.33922  -158.65159
   50    46 S   CA   _C29    46     1.39832   120.41748    -0.29141
   51    38 S   CT   _C22    58     1.56278   114.71594  -113.37246
   52    50 S   CA   _C30    47     1.39755   118.96513    -1.21370
   53    52 S   HA   _H18    48     1.08797   119.98431  -178.65012
   54    50 S   CT   _C32    52     1.49907   120.48475  -178.17190
   55    54 S   HC   _H20    53     1.09433   110.00584    87.93209
   56    54 S   HC   _H21    54     1.09511   110.93164  -151.57418
   57    54 S   HC   _H22    55     1.09511   110.89733   -32.57045
   58    51 S   CT   _C14    59     1.56846   116.99522    77.41656
   59    58 S   HC   _H3_    60     1.09535   113.38144    97.19100
   60    51 S   CT   _C21    86     1.57548   112.44156   -42.89291
   61    60 S   HC   _H8_    87     1.09500   114.22223  -126.62973
   62    44 S   CA   _C31    49     1.40323   121.63424  -176.91447
   63    58 S   CO4  _C13    61     1.52022   114.12309   -27.89423
   64    63 S   O    _O35    62     1.23047   120.97974   104.06380
   65    60 S   CT   _C20    88     1.51313   114.72361     3.25720
   66    65 S   HC   _H7_    89     1.09310   112.00132   -66.19538
   67    58 S   CT   _C15    94     1.52635   104.36992  -142.96654
   68    67 S   HC   _H4_    95     1.09163   114.39174   164.13169
   69    62 S   OH   _O39    50     1.36969   123.53726    -3.10804
   70    69 S   HO   _H19    51     0.97437   108.76024     0.87893
   71    63 S   CT   _C12    63     1.53737   116.67033   -79.10980
   72    71 S   HC   _H15    64     1.09044   109.80696   149.86378
   73    65 S   OH   _O41    92     1.42261   110.15418   175.20523
   74    73 S   HO   _H23    93     0.97281   107.19271  -165.68379
   75    67 S   OH   _O42    96     1.42024   111.83035   -74.18555
   76    75 S   HO   _H24    97     0.97239   107.67396   -62.57650
   77    71 S   CO4  _C11    65     1.52902   109.54526   -98.57099
   78    77 S   O    _O34    66     1.22997   121.05585   -36.41592
   79    77 S   CA   _C8_    67     1.48021   119.79300   144.89613
   80    79 S   CA   _C7_    68     1.39197   119.82414     2.88893
   81    80 S   CA   _C6_    69     1.40426   120.53433   178.68463
   82    81 S   HA   _H12    70     1.08847   120.28140  -179.53902
   83    80 S   CO4  _C18    81     1.47496   120.99019    -0.84070
   84    83 S   O    _O36    82     1.22819   117.89409   156.33997
   85    81 S   CA   _C5_    71     1.39854   120.65664     1.12587
   86    71 S   CT   _C17    83     1.54473   109.40469    29.31599
   87    85 S   CA   _C10    72     1.39630   118.88687    -1.43872
   88    87 S   HA   _H13    73     1.08789   120.04119  -178.85585
   89    85 S   CT   _C4_    77     1.49895   120.51186  -178.77507
   90    89 S   HC   _H9_    78     1.09432   110.00109    87.69714
   91    89 S   HC   _H10    79     1.09511   110.94910  -151.82069
   92    89 S   HC   _H11    80     1.09510   110.89661   -32.81037
   93    86 S   CT   _C16    84     1.58309   110.64587   -48.31601
   94    93 S   HC   _H5_    85     1.09628   113.40708  -126.10422
   95    79 S   CA   _C9_    74     1.40411   121.54441  -178.10535
   96    95 S   OH   _O33    75     1.36984   123.53626     0.75873
   97    96 S   HO   _H14    76     0.97386   108.92830    -1.65055
  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
  19   8   2   1   1  20   8  20   8  11   4  12  12  12   4  12
   3   8  16   8   3   4   2   1   1  16   8  14   7   2  12   5
   9   4   8   5   1   1  11   6   3   1   4   1  10   4  12  11
  12   4   6   2   8   2   8   3   4   2   1   1   1   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    51    86    65    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    48    51    58    71    83    86    93    60    65    66    40    41    73  
   38    39    42    51    86    65    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    62    48    49    51    58    59    63    86    93    60    61    65    40    41    67  
   42    43    44    48    51    58    60    40  
   41    73    74    67    42    51    60    61    63    65    66    71    72    77    80    83    84    86    93    94  
   73    60    65    66    71    83    86    93  
   43    44    45    46    52    62    69    48    51    58    60  
   44    45    62    51  
   45    46    47    50    52    53    62    69    70    48    49    51  
   46    47    50    52    62    69    54    48    49    51    58    60  
   47    50    52    53    62    54    55    56    57    48    49    51  
   50    52    54    48  
   49    51    58    59    63    93    60    61    65    67    50    62  
   51    58    60  
   52    53    62    69    54    55    56    57  
   58    59    63    64    71    86    93    94    60    61    65    66    73    67    68    75  
   53    62    69    70    54    55    56    57  
   62    69    54  
   55    56    57    62  
   56    57  
   57  
    0  
   59    63    64    71    72    77    86    93    94    60    61    65    67    68    75    76  
   63    64    71    93    60    67    68    75  
   61    65    66    73    74    67    68    75    63    71    83    86    93    94  
   65    66    73    67    86    93    94  
   69    70  
   64    71    72    77    78    79    83    86    93    67    68    75  
   71    72    77    86    67  
   66    73    74    67    71    83    86    93    94  
   73    74    86    93  
   68    75    76    71    83    86    93    94  
   75    76    86    93    94  
   70  
    0  
   72    77    78    79    80    95    83    84    86    93    94  
   77    78    79    83    86    93  
   74    86    93  
    0  
   76    86    93    94  
   93  
   78    79    80    81    87    95    96    83    86    93  
   79    80    95    86  
   80    81    82    85    87    88    95    96    97    83    84    86  
   81    82    85    87    95    96    89    83    84    86    93  
   82    85    87    88    95    89    90    91    92    83    84    86  
   85    87    89    83  
   84    86    93    94    85    95  
   86    93  
   87    88    95    96    89    90    91    92  
   93    94  
   88    95    96    97    89    90    91    92  
   95    96    89  
   90    91    92    95  
   91    92  
   92  
    0  
   94  
    0  
   96    97  
   97  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    51   268.000  1.529
   42    43   570.000  1.229
   42    44   310.000  1.470
   44    45   469.000  1.400
   44    62   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    52   469.000  1.400
   50    54   317.000  1.510
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    69   450.000  1.364
   69    70   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    51   317.000  1.522
   51    58   268.000  1.529
   51    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.522
   58    67   268.000  1.529
   63    64   570.000  1.229
   63    71   317.000  1.522
   71    72   340.000  1.090
   71    77   317.000  1.522
   71    86   268.000  1.529
   77    78   570.000  1.229
   77    79   310.000  1.470
   79    80   469.000  1.400
   79    95   469.000  1.400
   80    81   469.000  1.400
   80    83   310.000  1.470
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    87   469.000  1.400
   85    89   317.000  1.510
   87    88   367.000  1.080
   87    95   469.000  1.400
   95    96   450.000  1.364
   96    97   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    93   268.000  1.529
   86    40   268.000  1.529
   93    94   340.000  1.090
   93    60   268.000  1.529
   93    67   268.000  1.529
   60    61   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    73   320.000  1.410
   40    41   340.000  1.090
   73    74   553.000  0.945
   67    68   340.000  1.090
   67    75   320.000  1.410
   75    76   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    51    58.35000  112.70000
   33    40    86    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    44    65.00000  115.47100
   38    51    48    63.00000  111.10000
   38    51    58    58.35000  112.70000
   38    51    60    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    44    45    60.00000  119.52600
   42    44    62    60.00000  119.52600
   44    42    43    75.00000  123.78400
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    62    52    63.00000  120.00000
   44    62    69    70.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    51    65.00000  115.47100
   46    50    52    63.00000  120.00000
   46    50    54    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    62    63.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   52    62    69    70.00000  120.00000
   62    44    45    63.00000  120.00000
   62    52    53    35.00000  120.00000
   62    69    70    35.00000  113.00000
   54    50    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    45    46    60.00000  119.52600
   48    51    58    63.00000  111.10000
   48    51    60    63.00000  111.10000
   51    38    39    37.50000  110.70000
   51    38    42    63.00000  111.10000
   51    48    49    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    63    63.00000  111.10000
   51    58    67    58.35000  112.70000
   51    60    93    58.35000  112.70000
   51    60    61    37.50000  110.70000
   51    60    65    58.35000  112.70000
   58    63    64    80.00000  120.40000
   58    63    71    70.00000  116.00000
   58    67    93    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    75    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    71    72    35.00000  109.50000
   63    71    77    75.00000  107.99600
   63    71    86    63.00000  111.10000
   71    63    64    80.00000  120.40000
   71    77    78    80.00000  120.40000
   71    77    79    65.00000  115.47100
   71    86    83    63.00000  111.10000
   71    86    93    58.35000  112.70000
   71    86    40    58.35000  112.70000
   77    71    72    35.00000  109.50000
   77    79    80    60.00000  119.52600
   77    79    95    60.00000  119.52600
   79    77    78    75.00000  123.78400
   79    80    81    63.00000  120.00000
   79    80    83    60.00000  119.52600
   79    95    87    63.00000  120.00000
   79    95    96    70.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    75.00000  123.78400
   80    83    86    65.00000  115.47100
   81    85    87    63.00000  120.00000
   81    85    89    70.00000  120.00000
   85    81    82    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    95    63.00000  120.00000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   87    95    96    70.00000  120.00000
   95    79    80    63.00000  120.00000
   95    87    88    35.00000  120.00000
   95    96    97    35.00000  113.00000
   89    85    87    70.00000  120.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    80    81    60.00000  119.52600
   83    86    93    63.00000  111.10000
   83    86    40    63.00000  111.10000
   86    71    72    37.50000  110.70000
   86    71    77    63.00000  111.10000
   86    83    84    80.00000  120.40000
   86    93    94    37.50000  110.70000
   86    93    60    58.35000  112.70000
   86    93    67    58.35000  112.70000
   86    40    65    58.35000  112.70000
   86    40    41    37.50000  110.70000
   93    60    61    37.50000  110.70000
   93    60    65    58.35000  112.70000
   93    67    68    37.50000  110.70000
   93    67    75    50.00000  109.50000
   60    51    58    58.35000  112.70000
   60    93    94    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    40    58.35000  112.70000
   60    65    73    50.00000  109.50000
   65    60    61    37.50000  110.70000
   65    40    41    37.50000  110.70000
   65    73    74    55.00000  108.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    86    93    58.35000  112.70000
   40    65    66    37.50000  110.70000
   73    65    66    35.00000  109.50000
   73    65    40    50.00000  109.50000
   67    58    59    37.50000  110.70000
   67    58    63    63.00000  111.10000
   67    93    94    37.50000  110.70000
   67    93    60    58.35000  112.70000
   67    75    76    55.00000  108.50000
   75    67    68    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
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   60    65   -40    86   0.56750  1.0 1.0
   60    65   -40    86  -0.07550 -1.0 2.0
   60    65   -40    86   0.20000  1.0 3.0
   60    65    40    41   0.15000  1.0 3.0
   60    65    73    74  -0.11600  1.0 1.0
   60    65    73    74  -0.09450 -1.0 2.0
   60    65    73    74   0.21250  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    73   0.23400  1.0 3.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    86   0.15000  1.0 3.0
   66    65    40    41   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33   -38    51   0.56750  1.0 1.0
   40    33   -38    51  -0.07550 -1.0 2.0
   40    33   -38    51   0.20000  1.0 3.0
   40    86    93    94   0.15000  1.0 3.0
   40    86   -93    60   0.56750  1.0 1.0
   40    86   -93    60  -0.07550 -1.0 2.0
   40    86   -93    60   0.20000  1.0 3.0
   40    86    93    67   0.56750  1.0 1.0
   40    86    93    67  -0.07550 -1.0 2.0
   40    86    93    67   0.20000  1.0 3.0
   40    65    73    74  -0.11600  1.0 1.0
   40    65    73    74  -0.09450 -1.0 2.0
   40    65    73    74   0.21250  1.0 3.0
   73    65    40    33   0.86500  1.0 1.0
   73    65    40    33  -0.17500 -1.0 2.0
   73    65    40    33   0.20800  1.0 3.0
   73    65    40    86   0.86500  1.0 1.0
   73    65    40    86  -0.17500 -1.0 2.0
   73    65    40    86   0.20800  1.0 3.0
   73    65    40    41   0.23400  1.0 3.0
   67    58    63    64   0.30150 -1.0 2.0
   67    58   -63    71   0.60050  1.0 1.0
   67    58   -63    71   0.05600 -1.0 2.0
   67    58   -63    71   0.26150  1.0 3.0
   67    93   -60    51   0.56750  1.0 1.0
   67    93   -60    51  -0.07550 -1.0 2.0
   67    93   -60    51   0.20000  1.0 3.0
   67    93    60    61   0.15000  1.0 3.0
   67    93    60    65   0.56750  1.0 1.0
   67    93    60    65  -0.07550 -1.0 2.0
   67    93    60    65   0.20000  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    42    43  10.50000 -1.0 2.0
   45    62    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   52    54    50    46   4.00000 -1.0 2.0
   62    53    52    50   1.10000 -1.0 2.0
   52    69    62    44   4.00000 -1.0 2.0
   45    51    48    49  10.50000 -1.0 2.0
   58    71    63    64  10.50000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
   80    95    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   87    89    85    81   4.00000 -1.0 2.0
   95    88    87    85   1.10000 -1.0 2.0
   87    96    95    79   4.00000 -1.0 2.0
   80    86    83    84  10.50000 -1.0 2.0
END
