* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    200    330     605
    1     0 S   NP   _N1_     1    28.59894    92.44265   -27.03029
    2     1 S   H    _HN1     2     1.02776   113.22296  -116.31550
    3     1 S   H    _H1_     3     1.02957   102.33026     0.06256
    4     1 S   H    _H2_     4     1.02835     5.93868  -143.01777
    5     1 S   CT   _CA1     5     1.50128   109.85303   117.32033
    6     5 S   HC   _HA1     6     1.09574   105.21887    65.43894
    7     5 S   CO3  _C1_     7     1.53790   112.36671   -54.76075
    8     7 S   O2Z  _O11     8     1.26366   114.99699   -43.83209
    9     7 S   O2Z  _O12     9     1.26236   114.93407   135.27933
   10     5 S   CT   _CB1    10     1.53097   107.42278  -176.64246
   11    10 S   HC   HB11    11     1.09826   109.34585   -50.46238
   12    10 S   HC   HB12    12     1.09816   110.42181    66.09927
   13    10 S   CT   _CG1    13     1.53013   112.66318  -171.53262
   14    13 S   HC   HG11    14     1.09595   110.48559   -64.19023
   15    13 S   HC   HG12    15     1.09656   109.92427    55.00769
   16    13 S   C    _CD1    16     1.51839   112.32767   175.38781
   17    16 S   O    _OE1    17     1.22745   123.29224     0.07402
   18    16 S   N    _N2_    18     1.38550   111.68833  -179.95577
   19    18 S   H    _HN2    19     1.01555   119.02987     4.59619
   20    18 S   CT1  _CA2    20     1.45890   122.93175   178.10442
   21    20 S   HC   _HA2    21     1.09712   108.99245    23.44862
   22    20 S   C    _C2_    22     1.52886   106.64163   -93.81131
   23    22 S   O    _O2_    23     1.23014   122.88187   -30.10117
   24    20 S   CT   _CB2    32     1.53380   112.25998   146.67921
   25    24 S   HC   HB21    33     1.09487   109.40274    55.19994
   26    24 S   HC   HB22    34     1.09358   109.61197   174.02407
   27    22 S   N    _N3_    24     1.38466   112.76598   152.65556
   28    27 S   H    _HN3    25     1.01670   120.43650    -1.69662
   29    24 S   S    _SG2    35     1.82928   110.62752   -64.89206
   30    27 S   CT   _CA3    26     1.45369   122.30132   178.69644
   31    30 S   HC   HA31    27     1.09572   107.56328   -60.71694
   32    30 S   HC   HA32    28     1.09573   107.80871    55.55329
   33    29 S   CT   _C10    36     1.91016   103.12245  -172.30869
   34    30 S   CO3  _C3_    29     1.52860   114.49601   177.47059
   35    34 S   O2Z  _O31    30     1.26305   116.10872    -1.82928
   36    34 S   O2Z  _O32    31     1.26459   114.37988   178.22635
   37    33 S   CM   _C9_    37     1.52158   103.71365    68.75432
   38    37 S   HC   _H14    38     1.09032   116.20683   -82.05032
   39    33 S   CT   _C11    55     1.54609   107.76680   -49.97431
   40    39 S   HC   _H15    56     1.09653   111.06086    64.70537
   41    39 S   HC   _H16    57     1.09784   110.18078   -52.89403
   42    37 S   CMA  _C8_    39     1.35041   126.42631    97.26724
   43    42 S   OM   _O38    40     1.26228   129.28867  -179.38547
   44    42 S   CT   _C7_    41     1.52499   119.52382     1.52701
   45    44 S   HC   _H12    42     1.09991   109.04417   114.62566
   46    44 S   HC   _H13    43     1.10027   110.30349  -129.41612
   47    44 S   CT   _C6_    44     1.53416   115.91589    -7.51575
   48    47 S   HC   _H10    45     1.09665   108.94805   161.40195
   49    47 S   HC   _H11    46     1.09804   107.91232   -85.79676
   50    33 S   CT   _C5_    47     1.59800   111.81121  -171.21164
   51    50 S   CT   _C14    48     1.60581   110.33659   171.18419
   52    51 S   F    F1__    49     1.38179   107.30395    59.37073
   53    50 S   CT   _C4_    96     1.55755   110.82101    48.75428
   54    53 S   HC   _H7_    97     1.09268   112.52559    67.61156
   55    53 S   HC   _H8_    98     1.09324   112.78840   -53.69701
   56    53 S   HC   _H9_    99     1.09192   112.03272  -170.17965
   57    51 S   CT   _C13    50     1.55687   111.78367   -54.59387
   58    57 S   HC   _H3_    51     1.09396   110.32732   -63.17885
   59    51 S   CT   _C15    70     1.56103   116.40255   174.37426
   60    59 S   HC   _H4_    71     1.09602   108.28520   -63.57008
   61    57 S   CT   _C12    52     1.53316   110.12758    56.01458
   62    61 S   HC   _H17    53     1.09674   109.75787  -176.48854
   63    61 S   HC   _H18    54     1.09747   110.28138    66.78150
   64    57 S   CT   _C18    58     1.53860   109.09199   176.48966
   65    64 S   HC   _H5_    59     1.10059   105.75668   -58.88898
   66    59 S   OH   _O37    72     1.41829   112.85149    54.40789
   67    66 S   HO   _H35    73     0.97235   107.87012  -173.78580
   68    64 S   CT   _C19    60     1.52759   118.82611  -177.33979
   69    68 S   HC   _H21    61     1.09585   110.19630   -44.70694
   70    68 S   HC   _H22    62     1.09470   111.96471    75.83134
   71    68 S   CT   _C20    63     1.54183   103.96504  -162.76319
   72    71 S   HC   _H6_    64     1.09420   109.29163   134.90332
   73    71 S   CT   _C21    65     1.54075   107.19477     9.74088
   74    64 S   CT   _C17    66     1.54711   113.98680    59.83630
   75    73 S   OS   _O33    78     1.42761   104.19567   -98.29531
   76    73 S   CO4  _C25    89     1.53841   113.21931   143.92171
   77    76 S   O    _O35    90     1.23267   121.42570   -22.64484
   78    74 S   CT   _C16    67     1.54299   106.50675   -61.65757
   79    78 S   HC   _H19    68     1.09708   109.94012   -64.98793
   80    78 S   HC   _H20    69     1.09498   109.71278   177.84923
   81    74 S   CT   _C27    74     1.55143   113.11313    60.52729
   82    81 S   HC   _H32    75     1.09509   112.41134    67.93864
   83    81 S   HC   _H33    76     1.09147   113.30642   -52.20185
   84    81 S   HC   _H34    77     1.09607   110.55629  -172.51549
   85    75 S   CO   _C22    79     1.42990   107.16177   -21.19011
   86    76 S   CT   _C26    91     1.52093   117.38256   158.71291
   87    86 S   HC   _H29    92     1.09022   109.69886    63.35289
   88    86 S   HC   _H30    93     1.09250   109.70957   -58.22121
   89    71 S   OS   _O34    80     1.42499   110.66098  -106.05369
   90    85 S   CT   _C23    81     1.52618   109.40686  -104.00379
   91    90 S   HC   _H23    82     1.09534   110.95145    62.87211
   92    90 S   HC   _H24    83     1.09500   111.26928   -56.45919
   93    90 S   HC   _H25    84     1.09525   111.22470  -178.44934
   94    85 S   CT   _C24    85     1.52367   108.87280   135.26265
   95    94 S   HC   _H26    86     1.09515   110.79151   -61.43052
   96    94 S   HC   _H27    87     1.09516   111.30154   179.80218
   97    94 S   HC   _H28    88     1.09503   111.31191    57.70367
   98    86 S   OH   _O36    94     1.41483   110.27669  -177.47214
   99    98 S   HO   _H31    95     0.97225   107.26715   178.44254
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18
   8   5   1  12   6   5  13   6  19  13  15  10   4   6   2   1
   3   2   1   1   9   4   3   2   8   7   3   2   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    61    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    61    62    63    39    40    41    59    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    61    39    40    41    53  
   42    43    44    50    39  
   40    41    64    53    42    47    50    51    57    58    61    62    63  
   41    50    57    61    62    63  
   50    57    61    62    63  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    59    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    61    64    78    59    60    66    53    54    55    56  
   52    57    58    61    62    63    64    65    68    74    78    79    80    59    60    66    67    53    54    55    56  
   57    58    61    64    78    59    60    66    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    64    65    68    69    70    71    73    74    78    59    60    66    81  
   61    62    63    64    65    68    74    59  
   60    66    67    81    61    64    73    74    78    79    80  
   66    67    74    78    79    80  
   62    63    64    65    68    74  
   63    64  
   64  
   65    68    69    70    71    72    73    74    78    79    80    81    82    83    84    75    89    76  
   68    69    70    71    73    74    78    81  
   67    74    78    79    80  
   78  
   69    70    71    72    73    74    78    81    75    85    89    76  
   70    71    72    73    74    89  
   71    72    73    74    89  
   72    73    74    78    81    75    85    89    90    94    76    77    86  
   73    74    75    85    89    76  
   74    78    79    80    81    82    83    84    75    85    89    90    94    76    77    86    87    88    98  
   78    79    80    81    82    83    84    75    85    89    76    77    86  
   85    89    90    91    92    93    94    95    96    97    76    77    86    78    81  
   77    86    87    88    98    99    78    81    85    89  
   86    87    88    98  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   89    90    91    92    93    94    95    96    97  
   87    88    98    99  
   88    98    99  
   98    99  
   90    91    92    93    94    95    96    97  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
   99  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   367.000  1.332
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    74   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    89   320.000  1.410
   73    74   268.000  1.529
   73    75   320.000  1.410
   73    76   317.000  1.522
   74    78   268.000  1.529
   74    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    59   268.000  1.529
   59    60   340.000  1.090
   59    66   320.000  1.410
   66    67   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   75    85   320.000  1.380
   85    89   320.000  1.380
   85    90   250.000  1.527
   85    94   250.000  1.527
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   76    77   570.000  1.229
   76    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    98   320.000  1.410
   98    99   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    50.00000  109.50000
   50    51    57    58.35000  112.70000
   50    51    59    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    61    58.35000  112.70000
   51    57    64    58.35000  112.70000
   51    59    78    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    66    50.00000  109.50000
   57    51    52    50.00000  109.50000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    68    58.35000  112.70000
   57    64    74    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    58.35000  112.70000
   64    74    73    58.35000  112.70000
   64    74    78    58.35000  112.70000
   64    74    81    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    89    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    58.35000  112.70000
   71    73    75    50.00000  109.50000
   71    73    76    63.00000  111.10000
   71    89    85    60.00000  109.50000
   73    71    72    37.50000  110.70000
   73    74    78    58.35000  112.70000
   73    74    81    58.35000  112.70000
   73    75    85    60.00000  109.50000
   73    76    77    80.00000  120.40000
   73    76    86    70.00000  116.00000
   74    64    65    37.50000  110.70000
   74    64    68    58.35000  112.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    59    58.35000  112.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    37.50000  110.70000
   78    59    60    37.50000  110.70000
   78    59    66    50.00000  109.50000
   80    78    79    33.00000  107.80000
   59    51    52    50.00000  109.50000
   59    51    57    58.35000  112.70000
   59    78    79    37.50000  110.70000
   59    78    80    37.50000  110.70000
   59    66    67    55.00000  108.50000
   66    59    60    35.00000  109.50000
   81    74    78    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   75    73    74    50.00000  109.50000
   75    85    89    92.60000  111.55000
   75    85    90    90.00000  108.56700
   75    85    94    90.00000  108.56700
   85    90    91    45.00000  108.72000
   85    90    92    45.00000  108.72000
   85    90    93    45.00000  108.72000
   85    94    95    45.00000  108.72000
   85    94    96    45.00000  108.72000
   85    94    97    45.00000  108.72000
   89    71    72    35.00000  109.50000
   89    71    73    50.00000  109.50000
   90    85    89    90.00000  108.56700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    85    89    90.00000  108.56700
   94    85    90    65.00000  112.71400
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   76    73    74    63.00000  111.10000
   76    73    75    90.00000  108.74100
   76    86    87    35.00000  109.50000
   76    86    88    35.00000  109.50000
   76    86    98    90.00000  109.61100
   86    76    77    80.00000  120.40000
   86    98    99    55.00000  108.50000
   88    86    87    33.00000  107.80000
   98    86    87    35.00000  109.50000
   98    86    88    35.00000  109.50000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
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   75    73    74    78  -0.30950 -1.0 2.0
   75    73    74    78   0.27300  1.0 3.0
   75    73    74    81   0.62750  1.0 1.0
   75    73    74    81  -0.30950 -1.0 2.0
   75    73    74    81   0.27300  1.0 3.0
   75    73    76    77   0.30150 -1.0 2.0
   75    73    76    86   0.55300  1.0 1.0
   75    73    76    86   1.25850 -1.0 2.0
   75    73    76    86  -0.23600  1.0 3.0
   75    85   -89    71  -0.53350  1.0 1.0
   75    85   -89    71  -0.78350 -1.0 2.0
   75    85   -89    71   0.33750  1.0 3.0
   75    85    90    91   0.23400  1.0 3.0
   75    85    90    92   0.23400  1.0 3.0
   75    85    90    93   0.23400  1.0 3.0
   75    85    94    95   0.23400  1.0 3.0
   75    85    94    96   0.23400  1.0 3.0
   75    85    94    97   0.23400  1.0 3.0
   89    71    73    74   0.62750  1.0 1.0
   89    71    73    74  -0.30950 -1.0 2.0
   89    71    73    74   0.27300  1.0 3.0
   89    71   -73    75   1.11900  1.0 1.0
   89    71   -73    75  -1.16350 -1.0 2.0
   89    71   -73    75  -0.34150  1.0 3.0
   89    71    73    76  -0.09450  1.0 1.0
   89    71    73    76  -1.12950 -1.0 2.0
   89    71    73    76   0.54000  1.0 3.0
   89    85    90    91   0.23400  1.0 3.0
   89    85    90    92   0.23400  1.0 3.0
   89    85    90    93   0.23400  1.0 3.0
   89    85    94    95   0.23400  1.0 3.0
   89    85    94    96   0.23400  1.0 3.0
   89    85    94    97   0.23400  1.0 3.0
   90    85    89    71   0.06250  1.0 1.0
   90    85    89    71  -0.01100 -1.0 2.0
   90    85    89    71   0.28050  1.0 3.0
   90    85    94    95   0.15000  1.0 3.0
   90    85    94    96   0.15000  1.0 3.0
   90    85    94    97   0.15000  1.0 3.0
   94    85    89    71   0.06250  1.0 1.0
   94    85    89    71  -0.01100 -1.0 2.0
   94    85    89    71   0.28050  1.0 3.0
   94    85    90    91   0.15000  1.0 3.0
   94    85    90    92   0.15000  1.0 3.0
   94    85    90    93   0.15000  1.0 3.0
   76    73    74    64  -0.95700  1.0 1.0
   76    73    74    64  -0.18200 -1.0 2.0
   76    73    74    64   0.29450  1.0 3.0
   76    73    74    78  -0.95700  1.0 1.0
   76    73    74    78  -0.18200 -1.0 2.0
   76    73    74    78   0.29450  1.0 3.0
   76    73    74    81  -0.95700  1.0 1.0
   76    73    74    81  -0.18200 -1.0 2.0
   76    73    74    81   0.29450  1.0 3.0
   76    73    75    85  -1.11000  1.0 1.0
   76    73    75    85   0.50250 -1.0 2.0
   76    73    75    85   0.47450  1.0 3.0
   76    86    98    99   0.91850  1.0 1.0
   76    86    98    99   0.57950  1.0 3.0
   77    76    86    87   0.00000  1.0 1.0
   77    76    86    88   0.00000  1.0 1.0
   77    76    86    98   0.30150 -1.0 2.0
   87    86    98    99   0.19450  1.0 3.0
   88    86    98    99   0.19450  1.0 3.0
   53    50    51    52   0.39650  1.0 1.0
   53    50    51    52  -0.18350 -1.0 2.0
   53    50    51    52   0.41450  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    59   0.56750  1.0 1.0
   53    50    51    59  -0.07550 -1.0 2.0
   53    50    51    59   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   73    86    76    77  10.50000 -1.0 2.0
END
