* LIGAND DATABASE FILE (OPLS2005)
*
001      98   105    193    344     590
    1     0 S   NP   _N1_     1    28.89406    97.45339   -24.89213
    2     1 S   H    _HN1     2     1.02948    64.00414     7.45730
    3     1 S   H    _H1_     3     1.02822    43.64977   177.61394
    4     1 S   H    _H2_     4     1.02793   114.66225   -91.87552
    5     1 S   CT   _CA1     5     1.50146   131.93572   102.21067
    6     5 S   HC   _HA1     6     1.09577   105.13240   104.87083
    7     5 S   CO3  _C1_     7     1.53750   112.44471   -15.25903
    8     7 S   O2Z  _O11     8     1.26376   114.99641   -42.57406
    9     7 S   O2Z  _O12     9     1.26237   114.93196   136.30049
   10     5 S   CT   _CB1    10     1.53044   107.37436  -137.23098
   11    10 S   HC   HB11    11     1.09845   109.23016   -49.60027
   12    10 S   HC   HB12    12     1.09809   110.51446    66.95953
   13    10 S   CT   _CG1    13     1.53034   112.69395  -170.55161
   14    13 S   HC   HG11    14     1.09567   110.74070   -68.92570
   15    13 S   HC   HG12    15     1.09671   109.69069    50.33639
   16    13 S   C    _CD1    16     1.51828   111.88432   170.74870
   17    16 S   O    _OE1    17     1.22772   123.12877    13.65797
   18    16 S   N    _N2_    18     1.38633   111.88657  -166.11530
   19    18 S   H    _HN2    19     1.01569   119.07090     0.21850
   20    18 S   CT1  _CA2    20     1.46237   123.38031   176.16615
   21    20 S   HC   _HA2    21     1.09744   109.20930     9.12025
   22    20 S   C    _C2_    22     1.53753   109.05831  -106.39937
   23    22 S   O    _O2_    23     1.23097   122.23524  -150.38275
   24    20 S   CT   _CB2    32     1.53423   111.67044   131.09139
   25    24 S   HC   HB21    33     1.09512   109.66626    57.45174
   26    24 S   HC   HB22    34     1.09411   109.49417   176.34205
   27    22 S   N    _N3_    24     1.38315   113.98170    37.16786
   28    27 S   H    _HN3    25     1.01523   119.60931    -3.26447
   29    24 S   S    _SG2    35     1.83220   111.06239   -64.08833
   30    27 S   CT   _CA3    26     1.45272   123.29932   177.19893
   31    30 S   HC   HA31    27     1.09547   107.51826   -64.75721
   32    30 S   HC   HA32    28     1.09556   107.99383    51.70252
   33    29 S   CT   _C33    36     1.87812   102.03907   175.13409
   34    33 S   OM   _O41    37     1.31665   106.51382   -67.08123
   35    30 S   CO3  _C3_    29     1.52978   114.04059   173.70801
   36    35 S   O2Z  _O31    30     1.26387   116.09293    -0.12972
   37    35 S   O2Z  _O32    31     1.26426   114.41405   179.92338
   38    33 S   CA   _C27    38     1.54490   110.47034    54.88262
   39    38 S   CA   _C26    39     1.41269   117.68099    73.69061
   40    39 S   CA   _C31    40     1.40927   121.56255  -177.89699
   41    39 S   CO4  _C25    53     1.48296   118.38024     0.50668
   42    41 S   O    _O38    54     1.23006   118.26123  -146.29047
   43    40 S   CA   _C30    41     1.39829   120.81976    -0.83134
   44    40 S   OH   _O39    51     1.37242   122.24583   179.75934
   45    44 S   HO   _H17    52     0.97339   109.01926    -7.86042
   46    41 S   CT   _C19    55     1.53577   119.11439    36.61746
   47    43 S   CA   _C29    42     1.39491   118.43503     0.87424
   48    47 S   HA   _H16    43     1.08796   120.08309   179.42359
   49    43 S   CT   _C32    47     1.50103   121.38508  -179.72517
   50    49 S   HC   _H18    48     1.09476   110.21453   -62.14025
   51    49 S   HC   _H19    49     1.09484   110.30083    58.73270
   52    49 S   HC   _H20    50     1.09514   111.58571   178.20638
   53    33 S   CM   _C18    56     1.57147   109.53701   172.31168
   54    46 S   CT   _C20    69     1.58044   110.27075  -146.31240
   55    54 S   HC   _H7_    70     1.09512   112.70808    22.23272
   56    38 S   CA   _C28    44     1.41300   126.03261  -104.22579
   57    53 S   CMA  _C17    57     1.37414   128.22987   123.62524
   58    57 S   OM   _O42    58     1.26284   133.47327    -5.99319
   59    54 S   CO4  _C22    71     1.53468   113.98136   147.60616
   60    59 S   O    _O36    72     1.22979   121.27844  -111.94661
   61    56 S   OH   _O40    45     1.37189   123.14402    -1.13660
   62    61 S   HO   _H21    46     0.97628   107.02058    -5.21229
   63    57 S   CT   _C16    59     1.54343   116.84991   167.28918
   64    63 S   HC   _H6_    60     1.10013   112.27927  -165.90720
   65    59 S   CT   _C23    73     1.53172   116.09591    73.18532
   66    65 S   HC   _H15    74     1.10275   103.33904    94.79043
   67    63 S   CT   _C15    61     1.53630   104.59671   -49.14265
   68    67 S   HC   _H5_    62     1.09615   114.35660   -39.73531
   69    65 S   CO4  _C24    75     1.51300   117.17100  -151.53308
   70    69 S   O    _O37    76     1.22612   123.13880   -12.45123
   71    46 S   CT   _C14    63     1.57757   106.29755   102.23290
   72    71 S   HC   _H4_    64     1.09649   113.71547    12.78324
   73    69 S   CA   _C8_    77     1.49325   116.55956   171.99590
   74    67 S   OH   _O43    97     1.42052   111.85780  -162.61057
   75    74 S   HO   _H22    98     0.97249   107.09510    64.79117
   76    71 S   CT   _C13    65     1.53890   103.11321   132.98368
   77    76 S   HC   _H3_    66     1.09471   110.60944  -161.44109
   78    73 S   CA   _C9_    78     1.40735   120.06037    -6.49613
   79    76 S   CT   _C21    67     1.52067   102.38235   -42.25710
   80    79 S   HC   _H8_    68     1.09492   112.36906   172.03807
   81    78 S   CA   _C10    79     1.40751   119.73427   176.83244
   82    78 S   CO4  _C11    92     1.49302   119.65147    -4.97027
   83    82 S   O    _O34    93     1.22614   119.80064   160.85111
   84    81 S   CA   _C5_    80     1.40294   120.91362     0.69352
   85    81 S   OH   _O33    90     1.37213   122.41106   179.78694
   86    85 S   HO   _H13    91     0.97358   109.21135     4.35370
   87    63 S   CT   _C12    94     1.58773   116.44716    65.04782
   88    79 S   OH   _O35    95     1.41870   110.65857   -68.02005
   89    88 S   HO   _H14    96     0.97244   107.75980   163.09772
   90    84 S   CA   _C6_    81     1.39821   118.86055     0.26614
   91    90 S   HA   _H12    82     1.08803   120.08300   179.49993
   92    84 S   CT   _C4_    86     1.50224   121.18945   179.51867
   93    92 S   HC   _H9_    87     1.09473   110.18674   -63.00031
   94    92 S   HC   _H10    88     1.09485   110.30612    57.88361
   95    92 S   HC   _H11    89     1.09513   111.58119   177.31161
   96    73 S   CA   _C7_    83     1.40240   120.85410   171.58014
   97    96 S   OH   _O44    84     1.36952   123.55769     2.51225
   98    97 S   HO   _H23    85     0.97450   108.81244     4.13626
  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   8   5   4   3
  15   6   2   1   1  14  14  13  15   4  10   3   1  20   8   3
   4   2   1   1  14  17   8   2  11   4  14   5   1   1  17   8
  14   6  10   6  10   4  10   5  12   3   1   9   5  11   5   3
  13   5   1  10   3   1   1   1   1   8   3   4   2   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    56    46    53    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    47    56    61    41    46    53    57    58    63    71    54  
   38    39    56    46    53    57  
   36    37  
   37  
    0  
   39    40    43    47    48    56    61    62    44    41    42    46    53    57  
   40    43    47    56    61    49    44    45    41    42    46    53    71    54  
   43    47    48    56    49    50    51    52    44    45    41    42    46  
   42    46    53    57    67    71    72    76    79    54    55    59    43    44    56  
   46    53    71    54  
   47    48    56    61    49    50    51    52    44    45  
   45    47    49  
    0  
   53    57    58    63    67    68    71    72    76    77    79    80    54    55    59    60    65    87    88    74  
   48    56    61    62    49    50    51    52  
   56    61    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    58    63    64    67    71    72    76    79    54    55    59    87    56  
   55    59    60    65    66    69    87    88    89    57    67    71    72    76    77    79    80  
   59    60    65    88    71    76    79    80  
   61    62  
   58    63    64    67    68    71    76    65    82    87    74  
   63    64    67    87  
   60    65    66    69    70    73    82    87    88    63    71    76    79    80  
   65    66    69    87    79  
   62  
    0  
   64    67    68    71    72    76    77    79    65    66    69    78    82    83    87    74    75  
   67    68    71    76    65    82    87    74  
   66    69    70    73    78    96    82    83    87    67    71    76    77    79  
   69    70    73    82    87    76  
   68    71    72    76    77    79    82    87    74    75  
   71    72    76    87    74    75  
   70    73    78    81    90    96    97    82    87    76  
   73    78    96    87  
   72    76    77    79    80    82    87    88    74    75  
   76    77    79    87    74  
   78    81    84    90    91    96    97    98    85    82    83    87  
   75    76    87  
    0  
   77    79    80    78    82    83    87    88    89  
   79    80    82    87    88  
   81    84    90    96    97    92    85    86    82    83    87  
   80    82    87    88    89  
   87    88    89  
   84    90    91    96    92    93    94    95    85    86    82    83    87  
   83    87    84    85    96  
   87  
   90    91    96    97    92    93    94    95    85    86  
   86    90    92  
    0  
   88  
   89  
    0  
   91    96    97    98    92    93    94    95  
   96    97    92  
   93    94    95    96  
   94    95  
   95  
    0  
   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  -0.175000   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   0.102500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   97   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   98   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   317.000  1.510
   33    53   317.000  1.510
   38    39   469.000  1.400
   38    56   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   450.000  1.364
   43    47   469.000  1.400
   43    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    61   450.000  1.364
   61    62   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   553.000  0.945
   41    42   570.000  1.229
   41    46   317.000  1.522
   46    53   317.000  1.510
   46    71   268.000  1.529
   46    54   268.000  1.529
   53    57   465.000  1.376
   57    58   745.000  1.250
   57    63   270.000  1.512
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    87   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    74   320.000  1.410
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    79   268.000  1.529
   76    87   268.000  1.529
   79    80   340.000  1.090
   79    54   268.000  1.529
   79    88   320.000  1.410
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    87   268.000  1.529
   69    70   570.000  1.229
   69    73   310.000  1.470
   73    78   469.000  1.400
   73    96   469.000  1.400
   78    81   469.000  1.400
   78    82   310.000  1.470
   81    84   469.000  1.400
   81    85   450.000  1.364
   84    90   469.000  1.400
   84    92   317.000  1.510
   90    91   367.000  1.080
   90    96   469.000  1.400
   96    97   450.000  1.364
   97    98   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   85    86   553.000  0.945
   82    83   570.000  1.229
   82    87   317.000  1.522
   88    89   553.000  0.945
   74    75   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    80.00000  109.48900
   29    33    53    75.00000  112.20000
   33    38    39    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    53    46    65.00000  117.92700
   33    53    57    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    56    47    63.00000  120.00000
   38    56    61    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    70.00000  120.00000
   39    41    42    75.00000  123.78400
   39    41    46    65.00000  115.47100
   40    43    47    63.00000  120.00000
   40    43    49    70.00000  120.00000
   40    44    45    35.00000  113.00000
   43    47    48    35.00000  120.00000
   43    47    56    63.00000  120.00000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   47    56    61    70.00000  120.00000
   56    38    39    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    61    62    35.00000  113.00000
   49    43    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    40    43    70.00000  120.00000
   41    39    40    60.00000  119.52600
   41    46    53    70.00000  109.06800
   41    46    71    63.00000  111.10000
   41    46    54    63.00000  111.10000
   46    41    42    80.00000  120.40000
   46    53    57    70.00000  124.00000
   46    71    67    58.35000  112.70000
   46    71    72    37.50000  110.70000
   46    71    76    58.35000  112.70000
   46    54    79    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    59    63.00000  111.10000
   53    33    34    85.00000  110.90400
   53    33    38    70.00000  112.99600
   53    57    58    65.00000  137.10300
   53    57    63    65.00000  122.18000
   57    63    64    45.00000  110.52000
   57    63    67    70.00000  112.02700
   57    63    87    70.00000  112.02700
   63    57    58    85.00000  112.85300
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    74    50.00000  109.50000
   63    87    76    58.35000  112.70000
   63    87    65    58.35000  112.70000
   63    87    82    63.00000  111.10000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    76    58.35000  112.70000
   67    74    75    55.00000  108.50000
   71    46    53    70.00000  112.02700
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    79    58.35000  112.70000
   71    76    87    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    54    58.35000  112.70000
   76    79    88    50.00000  109.50000
   76    87    65    58.35000  112.70000
   76    87    82    63.00000  111.10000
   79    76    77    37.50000  110.70000
   79    54    55    37.50000  110.70000
   79    54    59    63.00000  111.10000
   79    88    89    55.00000  108.50000
   54    46    53    70.00000  112.02700
   54    46    71    58.35000  112.70000
   54    79    80    37.50000  110.70000
   54    59    60    80.00000  120.40000
   54    59    65    70.00000  116.00000
   59    54    55    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    69    75.00000  107.99600
   59    65    87    63.00000  111.10000
   65    59    60    80.00000  120.40000
   65    69    70    80.00000  120.40000
   65    69    73    65.00000  115.47100
   65    87    82    63.00000  111.10000
   69    65    66    35.00000  109.50000
   69    73    78    60.00000  119.52600
   69    73    96    60.00000  119.52600
   73    69    70    75.00000  123.78400
   73    78    81    63.00000  120.00000
   73    78    82    60.00000  119.52600
   73    96    90    63.00000  120.00000
   73    96    97    70.00000  120.00000
   78    81    84    63.00000  120.00000
   78    81    85    70.00000  120.00000
   78    82    83    75.00000  123.78400
   78    82    87    65.00000  115.47100
   81    84    90    63.00000  120.00000
   81    84    92    70.00000  120.00000
   81    85    86    35.00000  113.00000
   84    90    91    35.00000  120.00000
   84    90    96    63.00000  120.00000
   84    92    93    35.00000  109.50000
   84    92    94    35.00000  109.50000
   84    92    95    35.00000  109.50000
   90    96    97    70.00000  120.00000
   96    73    78    63.00000  120.00000
   96    90    91    35.00000  120.00000
   96    97    98    35.00000  113.00000
   92    84    90    70.00000  120.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   85    81    84    70.00000  120.00000
   82    78    81    60.00000  119.52600
   87    63    64    37.50000  110.70000
   87    63    67    58.35000  112.70000
   87    76    77    37.50000  110.70000
   87    76    79    58.35000  112.70000
   87    65    66    37.50000  110.70000
   87    65    69    63.00000  111.10000
   87    82    83    80.00000  120.40000
   88    79    80    35.00000  109.50000
   88    79    54    50.00000  109.50000
   74    67    68    35.00000  109.50000
   74    67    71    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
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   90    84    92    95   0.00000  1.0 1.0
   90    96    97    98   0.84100 -1.0 2.0
   91    90    96    73   3.62500 -1.0 2.0
   91    90    96    97   3.62500 -1.0 2.0
   96    73   -78    81   3.62500 -1.0 2.0
   96    73    78    82   3.62500 -1.0 2.0
   92    84    90    91   3.62500 -1.0 2.0
   92    84    90    96   3.62500 -1.0 2.0
   85    81    84    90   3.62500 -1.0 2.0
   85    81    84    92   3.62500 -1.0 2.0
   82    78    81    84   3.62500 -1.0 2.0
   82    78    81    85   3.62500 -1.0 2.0
   83    82    87    63   0.30150 -1.0 2.0
   83    82    87    76   0.30150 -1.0 2.0
   83    82    87    65   0.30150 -1.0 2.0
   87    63    67    68   0.15000  1.0 3.0
   87    63   -67    71   0.56750  1.0 1.0
   87    63   -67    71  -0.07550 -1.0 2.0
   87    63   -67    71   0.20000  1.0 3.0
   87    63    67    74   0.86500  1.0 1.0
   87    63    67    74  -0.17500 -1.0 2.0
   87    63    67    74   0.20800  1.0 3.0
   87    76    79    80   0.15000  1.0 3.0
   87    76   -79    54   0.56750  1.0 1.0
   87    76   -79    54  -0.07550 -1.0 2.0
   87    76   -79    54   0.20000  1.0 3.0
   87    76    79    88   0.86500  1.0 1.0
   87    76    79    88  -0.17500 -1.0 2.0
   87    76    79    88   0.20800  1.0 3.0
   87    65    69    70   0.30150 -1.0 2.0
   87    65   -69    73   0.05850 -1.0 2.0
   87    65   -69    73   0.17250  1.0 3.0
   88    79    54    46   0.86500  1.0 1.0
   88    79    54    46  -0.17500 -1.0 2.0
   88    79    54    46   0.20800  1.0 3.0
   88    79    54    55   0.23400  1.0 3.0
   88    79    54    59  -0.09450  1.0 1.0
   88    79    54    59  -1.12950 -1.0 2.0
   88    79    54    59   0.54000  1.0 3.0
   74    67    71    46   0.86500  1.0 1.0
   74    67    71    46  -0.17500 -1.0 2.0
   74    67    71    46   0.20800  1.0 3.0
   74    67    71    72   0.23400  1.0 3.0
   74    67    71    76   0.86500  1.0 1.0
   74    67    71    76  -0.17500 -1.0 2.0
   74    67    71    76   0.20800  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
   39    56    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   47    49    43    40   4.00000 -1.0 2.0
   56    48    47    43   1.10000 -1.0 2.0
   47    61    56    38   4.00000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   63    58    57    53   1.10000 -1.0 2.0
   54    65    59    60  10.50000 -1.0 2.0
   65    73    69    70  10.50000 -1.0 2.0
   78    96    73    69   4.00000 -1.0 2.0
   81    82    78    73   4.00000 -1.0 2.0
   84    85    81    78   4.00000 -1.0 2.0
   90    92    84    81   4.00000 -1.0 2.0
   96    91    90    84   1.10000 -1.0 2.0
   90    97    96    73   4.00000 -1.0 2.0
   78    87    82    83  10.50000 -1.0 2.0
END
