* LIGAND DATABASE FILE (OPLS2005)
*
001      99   104    198    328     591
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    97.99322   -54.04430
    3     1 S   H    _H1_     3     1.02061    81.00219    53.78269
    4     1 S   H    _H2_     4     1.02095    35.56978  -165.08482
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.87294    96.53114  -158.09885
   34    33 S   HC   _H3_    37     1.09632   104.95744   -29.39316
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C8_    38     1.51572   103.03892    79.98572
   39    38 S   HC   _H39    39     1.09538   112.63639   -56.55035
   40    33 S   CT   _C22    83     1.60369   115.02219  -146.69809
   41    38 S   CMA  _C9_    40     1.35211   131.49617   124.85482
   42    41 S   OM   _O27    41     1.26761   123.99412   178.22612
   43    40 S   CT   _C27    84     1.55107   107.72476   171.13078
   44    43 S   HC   _H56    85     1.08074   108.62478  -180.00000
   45    43 S   HC   _H57    86     1.08042   108.61165    59.96743
   46    43 S   HC   _H58    87     1.08118   108.61725   -59.97457
   47    41 S   OS   _O33    42     1.39117   115.18879     3.05518
   48    47 S   CT   _C24    43     1.43787   119.91478   -69.74804
   49    48 S   CT   _C17    44     1.58220   111.95891    84.15437
   50    49 S   HC   _H47    45     1.09962   105.50786  -116.65778
   51    48 S   CT   _C28    92     1.54661   112.83626  -150.79295
   52    51 S   HC   _H59    93     1.08280   108.82340    54.00446
   53    51 S   HC   _H60    94     1.08200   108.84614   -65.96262
   54    51 S   HC   _H61    95     1.08184   108.85022   174.01735
   55    48 S   CT   _C29    96     1.54596   102.45585   -38.98913
   56    55 S   HC   _H62    97     1.08196   108.89880   -58.52737
   57    55 S   HC   _H63    98     1.08209   108.90252  -178.60072
   58    55 S   HC   _H64    99     1.08268   108.85087    61.42582
   59    49 S   CT   _C12    46     1.54636   112.12230   132.89785
   60    59 S   HC   _H40    47     1.09748   109.13622    59.11204
   61    59 S   HC   _H41    48     1.09317   112.50311   -59.26224
   62    59 S   CO4  _C10    49     1.51637   113.68586   178.17651
   63    62 S   O    _O28    50     1.23087   120.54739  -125.55671
   64    62 S   CT   _C20    51     1.53111   116.33168    55.77971
   65    64 S   CT   _C18    52     1.57295   103.11378   -58.09655
   66    65 S   HC   _H48    53     1.09089   104.06425   -51.15007
   67    64 S   CT   _C25    88     1.54971   106.84294    64.48819
   68    67 S   HC   _H50    89     1.08100   108.67806  -180.00000
   69    67 S   HC   _H51    90     1.08103   108.68392    60.04618
   70    67 S   HC   _H52    91     1.08174   108.66450   -59.97509
   71    65 S   CT   _C19    54     1.54141   110.74974  -161.53921
   72    71 S   HC   _H49    55     1.09252   112.51585  -176.82578
   73    71 S   CT   _C13    56     1.54452   111.65956    63.39872
   74    73 S   HC   _H42    57     1.09794   108.24993    96.24784
   75    73 S   HC   _H43    58     1.09835   107.75882  -149.84759
   76    71 S   OH   _O36    81     1.42339   112.16207   -57.04053
   77    76 S   HO   _H65    82     0.97063   106.56967  -177.07424
   78    73 S   CT   _C21    59     1.55999   116.79763   -25.99859
   79    78 S   CT   _C14    60     1.58011   109.08237  -145.86945
   80    79 S   HC   _H44    61     1.09748   110.39073    56.46073
   81    78 S   CT   _C26    77     1.55367   112.24216    94.78540
   82    81 S   HC   _H53    78     1.08101   108.49248  -179.97202
   83    81 S   HC   _H54    79     1.07983   108.52273    60.02330
   84    81 S   HC   _H55    80     1.08049   108.58034   -60.02331
   85    79 S   C5BC _C7_    62     1.48580   113.49862   -62.35152
   86    79 S   OS   _O34    70     1.45515   111.37685   174.22952
   87    85 S   C5BC _C4_    63     1.41524   127.00865    91.34389
   88    87 S   HA   _H36    64     1.08038   127.78917    -0.00000
   89    86 S   CO4  _C11    71     1.36422   121.64945   -47.67286
   90    89 S   O    _O29    72     1.22412   122.31597  -169.61837
   91    87 S   C5A  _C5_    65     1.37485   106.14934   179.94405
   92    91 S   HA   _H37    66     1.08051   133.83265  -179.95577
   93    89 S   C3T  _C16    73     1.47621   117.26860    12.42586
   94    93 S   HC   _H46    74     1.08427   115.17228   166.45124
   95    91 S   OA   _O30    67     1.35940   110.56126     0.02798
   96    64 S   C3T  _C23    75     1.56651   111.84912  -176.01651
   97    85 S   C5A  _C6_    68     1.37556   126.88975   -88.72021
   98    97 S   HA   _H38    69     1.08063   133.87979     0.01978
   99    93 S   O3T  _O35    76     1.42783   114.44130   -54.10182
  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   9   5   4   3
  19   7   2   1   1   9   4  24   6   2  11   4   3   2  12  15
  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4  18
  16   6   8   3   2   1  10   6  16   6   5   2   1  15  18   7
   8   3   2   1  10   8   6   4   5   4   4   2   3   2   2   1
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    49    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    48    49    50    59    64    65    66    71    40    43    44    45    46  
   38    39    41    49    65    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    65    40    43  
   41    42    47    40  
   43    44    45    46    67    51    55    41    47    48    49    50    59    60    61    62    64    65    66    71    72    73    76    96  
   42    47    48    49    51    55  
   47    48  
   44    45    46    48    49    50    59    64    65    66    71  
   45    46    49    65  
   46    49    65  
   49    65  
   48    49    50    59    51    52    53    54    55    56    57    58  
   49    50    59    60    61    62    65    51    52    53    54    55    56    57    58  
   50    59    60    61    62    63    64    65    66    71    51    52    53    54    55    56    57    58  
   59    60    61    62    65    51    55  
   52    53    54    55    56    57    58    59  
   53    54    55  
   54    55  
   55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    96    67  
   61    62    63    64  
   62    63    64  
   63    64    65    66    71    78    93    96    99    67    68    69    70  
   64    65    96    67  
   65    66    71    72    73    78    79    89    93    94    96    99    81    76    67    68    69    70  
   66    71    72    73    74    75    78    93    96    99    76    77    67    68    69    70  
   71    72    73    96    76    67  
   68    69    70    71    78    93    96    99  
   69    70    96  
   70    96  
   96  
   72    73    74    75    78    79    96    81    76    77  
   73    74    75    78    76    77  
   74    75    78    79    80    85    86    93    96    99    81    82    83    84    76    77  
   75    78    79    96    81    76  
   78    79    96    81    76  
   77    78  
    0  
   79    80    85    87    97    86    89    93    94    96    99    81    82    83    84  
   80    85    87    88    91    95    97    98    86    89    90    93    96    99    81    82    83    84  
   85    87    97    86    89    96    81  
   82    83    84    85    86    93    96    99  
   83    84    96  
   84    96  
   96  
   87    88    91    92    95    97    98    86    89    96  
   89    90    93    94    96    99    87    97  
   88    91    92    95    97    98  
   91    92    95    97  
   90    93    94    96    99  
   93    94    96    99  
   92    95    97    98  
   95    97  
   94    96    99  
   96    99  
   97    98  
   99  
   98  
    0  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   96   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   440.000  1.360
   47    48   320.000  1.410
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    55   268.000  1.529
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    40   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    96   275.000  1.510
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    40   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   268.000  1.529
   78    96   275.000  1.510
   78    81   268.000  1.529
   79    80   340.000  1.090
   79    85   285.000  1.502
   79    86   320.000  1.410
   85    87   469.000  1.424
   85    97   546.000  1.367
   87    88   367.000  1.080
   87    91   546.000  1.367
   91    92   367.000  1.080
   91    95   340.000  1.360
   95    97   340.000  1.360
   97    98   367.000  1.080
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    93   290.000  1.496
   93    94   340.000  1.088
   93    96   260.000  1.509
   93    99   335.000  1.432
   96    99   335.000  1.432
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   553.000  0.945
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    49    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    47    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    47    48    90.00000  111.18400
   47    41    42    65.00000  121.00000
   47    48    49    50.00000  109.50000
   47    48    51    50.00000  109.50000
   47    48    55    50.00000  109.50000
   48    49    50    37.50000  110.70000
   48    49    59    58.35000  112.70000
   48    49    40    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    63.00000  111.10000
   49    40    65    58.35000  112.70000
   49    40    43    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    64    70.00000  116.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    63.00000  111.10000
   62    64    96    63.00000  111.10000
   62    64    67    63.00000  111.10000
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    40    58.35000  112.70000
   64    96    78    58.35000  112.70000
   64    96    93    60.00000  120.94000
   64    96    99    80.00000  116.47100
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    58.35000  112.70000
   65    71    76    50.00000  109.50000
   65    40    43    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    58.35000  112.70000
   71    76    77    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    78    79    58.35000  112.70000
   73    78    96    70.00000  112.37300
   73    78    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    85    70.00000  112.17500
   78    79    86    50.00000  109.50000
   78    96    93    60.00000  120.94000
   78    96    99    80.00000  116.47100
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   79    85    87    60.00000  130.00000
   79    85    97    60.00000  130.00000
   79    86    89    83.00000  116.90000
   85    79    80    35.00000  109.50000
   85    87    88    35.00000  127.50000
   85    87    91    70.00000  107.30000
   85    97    95    70.00000  110.60000
   85    97    98    35.00000  132.10000
   87    91    92    35.00000  132.10000
   87    91    95    70.00000  110.60000
   91    87    88    35.00000  125.70000
   91    95    97    70.00000  106.50000
   95    91    92    35.00000  113.40000
   95    97    98    35.00000  113.40000
   97    85    87    70.00000  107.30000
   86    79    80    35.00000  109.50000
   86    79    85    85.00000  111.85700
   86    89    90    83.00000  123.40000
   86    89    93    81.00000  111.40000
   89    93    94    40.00000  116.18000
   89    93    96    65.00000  117.18000
   89    93    99    80.00000  114.91000
   93    89    90    75.00000  121.36600
   93    96    99    15.00000   60.43100
   93    99    96    15.00000   59.14900
   96    64    65    70.00000  112.37300
   96    78    79    70.00000  112.37300
   96    93    94    37.50000  117.20000
   99    93    94    50.00000  114.27700
   99    93    96    15.00000   60.43100
   81    78    79    58.35000  112.70000
   81    78    96    70.00000  112.37300
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    49    50    37.50000  110.70000
   40    49    59    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    71    58.35000  112.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    96    70.00000  112.37300
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    48    49    58.35000  112.70000
   55    48    51    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
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   40    49   -59    62  -0.95700  1.0 1.0
   40    49   -59    62  -0.18200 -1.0 2.0
   40    49   -59    62   0.29450  1.0 3.0
   40    65    71    72   0.15000  1.0 3.0
   40    65    71    73   0.56750  1.0 1.0
   40    65    71    73  -0.07550 -1.0 2.0
   40    65    71    73   0.20000  1.0 3.0
   40    65    71    76   0.86500  1.0 1.0
   40    65    71    76  -0.17500 -1.0 2.0
   40    65    71    76   0.20800  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    40   0.56750  1.0 1.0
   67    64    65    40  -0.07550 -1.0 2.0
   67    64    65    40   0.20000  1.0 3.0
   67    64    96    78   0.56750  1.0 1.0
   67    64    96    78  -0.07550 -1.0 2.0
   67    64    96    78   0.20000  1.0 3.0
   67    64    96    93   0.07850  1.0 1.0
   67    64    96    93  -0.03950 -1.0 2.0
   67    64    96    93   0.67350  1.0 3.0
   67    64    96    99   0.02550  1.0 1.0
   67    64    96    99  -0.02600 -1.0 2.0
   67    64    96    99   1.20400  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    59   0.56750  1.0 1.0
   51    48    49    59  -0.07550 -1.0 2.0
   51    48    49    59   0.20000  1.0 3.0
   51    48    49    40   0.56750  1.0 1.0
   51    48    49    40  -0.07550 -1.0 2.0
   51    48    49    40   0.20000  1.0 3.0
   51    48    55    56   0.15000  1.0 3.0
   51    48    55    57   0.15000  1.0 3.0
   51    48    55    58   0.15000  1.0 3.0
   55    48    49    50   0.15000  1.0 3.0
   55    48    49    59   0.56750  1.0 1.0
   55    48    49    59  -0.07550 -1.0 2.0
   55    48    49    59   0.20000  1.0 3.0
   55    48    49    40   0.56750  1.0 1.0
   55    48    49    40  -0.07550 -1.0 2.0
   55    48    49    40   0.20000  1.0 3.0
   55    48    51    52   0.15000  1.0 3.0
   55    48    51    53   0.15000  1.0 3.0
   55    48    51    54   0.15000  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
   33    39    38    41   1.10000 -1.0 2.0
   42    47    41    38   1.10000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   87    97    85    79   4.00000 -1.0 2.0
   91    88    87    85   1.10000 -1.0 2.0
   95    92    91    87   1.10000 -1.0 2.0
   95    98    97    85   1.10000 -1.0 2.0
   86    93    89    90  10.50000 -1.0 2.0
END
