* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    233     443
    1     0 S   NP   _N1_     1    28.17436    96.43703   -23.40217
    2     1 S   H    _HN1     2     1.02776   107.95137  -112.55033
    3     1 S   H    _H1_     3     1.02957    77.92799    -6.94992
    4     1 S   H    _H2_     4     1.02835    31.07681   152.39390
    5     1 S   CT   _CA1     5     1.50130   132.94090    99.76506
    6     5 S   HC   _HA1     6     1.09575   105.21520    85.19141
    7     5 S   CO3  _C1_     7     1.53788   112.36739   -35.00121
    8     7 S   O2Z  _O11     8     1.26366   114.99684   -43.75259
    9     7 S   O2Z  _O12     9     1.26236   114.93339   135.35102
   10     5 S   CT   _CB1    10     1.53096   107.42193  -156.89260
   11    10 S   HC   HB11    11     1.09826   109.33869   -50.45037
   12    10 S   HC   HB12    12     1.09815   110.42353    66.10867
   13    10 S   CT   _CG1    13     1.53016   112.66955  -171.51941
   14    13 S   HC   HG11    14     1.09594   110.49300   -64.35502
   15    13 S   HC   HG12    15     1.09657   109.91822    54.84637
   16    13 S   C    _CD1    16     1.51840   112.31824   175.21930
   17    16 S   O    _OE1    17     1.22749   123.30142     0.42613
   18    16 S   N    _N2_    18     1.38573   111.71529  -179.61794
   19    18 S   H    _HN2    19     1.01560   118.98098     4.70428
   20    18 S   CT1  _CA2    20     1.45751   122.84420   177.77454
   21    20 S   HC   _HA2    21     1.09714   109.04613    23.26156
   22    20 S   C    _C2_    22     1.52949   107.18385   -94.02146
   23    22 S   O    _O2_    23     1.22964   123.06962   -25.50852
   24    20 S   CT   _CB2    32     1.53094   112.32705   146.54577
   25    24 S   HC   HB21    33     1.09513   110.12976    54.75495
   26    24 S   HC   HB22    34     1.09409   109.87650   173.51944
   27    22 S   N    _N3_    24     1.38482   112.49527   157.67079
   28    27 S   H    _HN3    25     1.01652   120.37981    -2.96650
   29    24 S   S    _SG2    35     1.82341   111.92039   -65.45861
   30    27 S   CT   _CA3    26     1.45338   122.54946   177.45516
   31    30 S   HC   HA31    27     1.09571   107.79624   -55.82519
   32    30 S   HC   HA32    28     1.09557   107.63296    60.55369
   33    29 S   CT   _C20    36     1.82924    99.16543  -174.48243
   34    33 S   HC   _H3_    37     1.09613   106.87865  -159.19376
   35    33 S   HC   _H4_    38     1.09324   107.82780   -44.82718
   36    30 S   CO3  _C3_    29     1.52900   114.23651  -177.62512
   37    36 S   O2Z  _O31    30     1.26348   116.03033     1.17170
   38    36 S   O2Z  _O32    31     1.26429   114.42172  -178.81617
   39    33 S   CT   _C12    39     1.53401   112.53176    79.58103
   40    39 S   HC   _H32    40     1.09615   112.84110   -38.11280
   41    39 S   CO4  _C6_    41     1.50832   110.82276    82.42572
   42    41 S   O    _O18    42     1.22148   126.08380   -46.50668
   43    41 S   OS   _O20    43     1.35826   110.36326   134.39597
   44    43 S   CT   _C15    44     1.44142   111.35800     3.72321
   45    44 S   HC   _H35    45     1.09454   105.74811    97.26364
   46    44 S   CT   _C10    46     1.54397   105.88188  -144.18943
   47    46 S   HC   _H29    47     1.09876   109.02293   -26.57374
   48    46 S   HC   _H30    48     1.09715   109.74765    87.85048
   49    39 S   CT   _C13    63     1.54242   112.52619  -162.99780
   50    49 S   HC   _H33    64     1.09936   108.02933   -27.61639
   51    46 S   C3T  _C16    49     1.51024   114.72660  -146.44588
   52    51 S   C3T  _C14    50     1.52774   117.27555  -111.50791
   53    52 S   HC   _H34    51     1.08309   120.20146     0.03426
   54    51 S   CT   _C19    77     1.50413   116.89365    53.62522
   55    54 S   HC   _H42    78     1.09474   112.43620   160.32862
   56    54 S   HC   _H43    79     1.09544   110.28213    41.10398
   57    54 S   HC   _H44    80     1.09219   111.11021   -78.62170
   58    52 S   CT   _C9_    52     1.49733   121.11854   149.98616
   59    58 S   HC   _H27    53     1.09626   108.89604   143.17004
   60    58 S   HC   _H28    54     1.09449   112.06736    25.70816
   61    51 S   O3T  _O21    76     1.44744   114.84088  -175.69461
   62    58 S   CT   _C8_    55     1.54246   110.91862   -97.24470
   63    62 S   HC   _H25    56     1.09838   108.93845   -69.37065
   64    62 S   HC   _H26    57     1.09651   109.93242   175.19026
   65    62 S   CM   _C5_    58     1.51892   112.01960    52.13182
   66    65 S   CM   _C4_    59     1.34813   118.61172   -87.28369
   67    66 S   HC   _H24    60     1.09069   117.34964    -5.71165
   68    65 S   CT   _C17    72     1.50068   115.48592    89.67418
   69    68 S   HC   _H36    73     1.09442   110.59962   -50.57925
   70    68 S   HC   _H37    74     1.09167   113.44192  -171.21477
   71    68 S   HC   _H38    75     1.09505   109.74323    68.44731
   72    66 S   CT   _C11    61     1.50076   129.26066   170.63939
   73    72 S   HC   _H31    62     1.09455   112.70672    -3.23222
   74    72 S   OS   _O22    65     1.44619   106.53001   117.11042
   75    74 S   CO4  _C7_    66     1.36335   117.37524   -90.06867
   76    75 S   O    _O19    67     1.22359   126.36353    -2.35185
   77    75 S   CT   _C18    68     1.49912   110.27222   176.22115
   78    77 S   HC   _H39    69     1.09247   109.31147  -107.42991
   79    77 S   HC   _H40    70     1.09314   109.21354   131.57700
   80    77 S   HC   _H41    71     1.09370   110.93039    12.60484
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6   5
   9   4  11  13   6   5   3   2   1   9   6   5   1  10   4   3
   9   9   4   4   2   1   1   5   2   6   5   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    72    73    49    50    74  
   41    42    43    44    72    49    50  
   42    43    44    45    46    72    49    50  
   43    44    49  
   44    45    46    47    48    51    72    49    50  
   45    46    47    48    51    52    66    72    73    49    50    74    61    54  
   46    47    48    51    72    49    50  
   47    48    51    52    53    58    72    49    50    61    54    55    56    57  
   48    51    52    49    61    54  
   51    52    49    61    54  
   50    74    75    51    65    66    67    72    73  
   74    66    72    73  
   52    53    58    59    60    62    61    54    55    56    57  
   53    58    59    60    62    63    64    65    61    54    55    56    57  
   58    59    60    62    61    54  
   55    56    57    58    61  
   56    57    61  
   57    61  
   61  
   59    60    62    63    64    65    66    68    61  
   60    62    63    64    65    61  
   62    63    64    65    61  
   62  
   63    64    65    66    67    72    68    69    70    71  
   64    65    66    68  
   65    66    68  
   66    67    72    73    74    68    69    70    71  
   67    72    73    74    75    68    69    70    71  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75  
   75    76    77    78    79    80  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   260.000  1.509
   51    61   335.000  1.432
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   275.000  1.510
   52    61   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   549.000  1.340
   65    68   317.000  1.510
   66    67   340.000  1.080
   66    72   317.000  1.510
   72    73   340.000  1.090
   72    49   268.000  1.529
   72    74   320.000  1.410
   49    50   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    72    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.37300
   44    49    72    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    60.00000  120.94000
   46    51    61    80.00000  116.47100
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    61    15.00000   60.43100
   51    61    52    15.00000   59.14900
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    45.00000  109.38400
   52    58    60    45.00000  109.38400
   52    58    62    70.00000  112.37300
   58    52    53    40.00000  115.04500
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    70.00000  112.02700
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    65    66    70.00000  124.00000
   62    65    68    65.00000  117.92700
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    72    70.00000  124.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    35.00000  109.50000
   66    72    49    70.00000  112.02700
   66    72    74    85.00000  110.90400
   72    66    67    35.00000  117.00000
   72    49    50    37.50000  110.70000
   72    74    75    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    72    73    37.50000  110.70000
   74    72    73    35.00000  109.50000
   74    72    49    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   77    75    76    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   68    65    66    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   61    51    52    15.00000   60.43100
   61    52    53    50.00000  114.27700
   61    52    58    80.00000  116.47100
   54    51    52    60.00000  120.94000
   54    51    61    80.00000  116.47100
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    72   0.56750  1.0 1.0
   33    39    49    72  -0.07550 -1.0 2.0
   33    39    49    72   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    72   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    72  -0.95700  1.0 1.0
   41    39    49    72  -0.18200 -1.0 2.0
   41    39    49    72   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51  -0.26800  1.0 1.0
   43    44    46    51   0.69150 -1.0 2.0
   43    44    46    51  -0.48750  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    72   0.62750  1.0 1.0
   43    44    49    72  -0.30950 -1.0 2.0
   43    44    49    72   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.07850  1.0 1.0
   44    46    51    52  -0.03950 -1.0 2.0
   44    46    51    52   0.67350  1.0 3.0
   44    46    51    61   0.02550  1.0 1.0
   44    46    51    61  -0.02600 -1.0 2.0
   44    46    51    61   1.20400  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    72   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    72   0.56750  1.0 1.0
   46    44    49    72  -0.07550 -1.0 2.0
   46    44    49    72   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.15000  1.0 3.0
   46    51    52    58   0.56750  1.0 1.0
   46    51    52    58  -0.07550 -1.0 2.0
   46    51    52    58   0.20000  1.0 3.0
   46    51   -52    61   0.02550  1.0 1.0
   46    51   -52    61  -0.02600 -1.0 2.0
   46    51   -52    61   1.20400  1.0 3.0
   46    51   -61    52   0.06250  1.0 1.0
   46    51   -61    52  -0.01100 -1.0 2.0
   46    51   -61    52   0.28050  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    61   0.23400  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    61   0.23400  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    62   0.07850  1.0 1.0
   51    52    58    62  -0.03950 -1.0 2.0
   51    52    58    62   0.67350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    62    63   0.15000  1.0 3.0
   52    58    62    64   0.15000  1.0 3.0
   52    58    62    65   0.34400  1.0 1.0
   52    58    62    65   0.09450 -1.0 2.0
   52    58    62    65   0.11100  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    62   0.15000  1.0 3.0
   53    52   -61    51   0.36800  1.0 3.0
   58    52   -61    51   0.06250  1.0 1.0
   58    52   -61    51  -0.01100 -1.0 2.0
   58    52   -61    51   0.28050  1.0 3.0
   58    62    65    66   0.09850  1.0 1.0
   58    62    65    66   0.15250 -1.0 2.0
   58    62    65    66  -0.50650  1.0 3.0
   58    62    65    68   0.46850  1.0 1.0
   58    62    65    68   0.08550 -1.0 2.0
   58    62    65    68   0.09800  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   62    65    66    67   7.00000 -1.0 2.0
   62    65    66    72   7.00000 -1.0 2.0
   62    65    68    69   0.34800  1.0 3.0
   62    65    68    70   0.34800  1.0 3.0
   62    65    68    71   0.34800  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    68   0.34800  1.0 3.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    68   0.34800  1.0 3.0
   65    66    72    73   0.00000  1.0 1.0
   65    66    72    49   0.09850  1.0 1.0
   65    66    72    49   0.15250 -1.0 2.0
   65    66    72    49  -0.50650  1.0 3.0
   65    66    72    74   0.39000  1.0 1.0
   65    66    72    74  -0.05800 -1.0 2.0
   65    66    72    74  -0.55150  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    49    39   0.34400  1.0 1.0
   66    72    49    39   0.09450 -1.0 2.0
   66    72    49    39   0.11100  1.0 3.0
   66    72    49    44   0.34400  1.0 1.0
   66    72    49    44   0.09450 -1.0 2.0
   66    72    49    44   0.11100  1.0 3.0
   66    72    49    50   0.15000  1.0 3.0
   66    72    74    75  -0.82050  1.0 1.0
   66    72    74    75   0.00600 -1.0 2.0
   66    72    74    75   0.04400  1.0 3.0
   67    66    72    73   0.33100  1.0 3.0
   67    66    72    49   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   72    74    75    76   3.00000 -1.0 2.0
   72    74    75    77   1.63150  1.0 1.0
   72    74    75    77   2.92000 -1.0 2.0
   73    72    49    39   0.15000  1.0 3.0
   73    72    49    44   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   73    72    74    75   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.47050  1.0 1.0
   49    44    46    51   0.03900 -1.0 2.0
   49    44    46    51   0.20100  1.0 3.0
   49    72    74    75  -0.25900  1.0 1.0
   49    72    74    75  -0.47000 -1.0 2.0
   49    72    74    75   0.11750  1.0 3.0
   74    72    49    39   0.62750  1.0 1.0
   74    72    49    39  -0.30950 -1.0 2.0
   74    72    49    39   0.27300  1.0 3.0
   74    72    49    44   0.62750  1.0 1.0
   74    72    49    44  -0.30950 -1.0 2.0
   74    72    49    44   0.27300  1.0 3.0
   74    72    49    50   0.23400  1.0 3.0
   74    75    77    78   0.00000  1.0 1.0
   74    75    77    79   0.00000  1.0 1.0
   74    75    77    80   0.00000  1.0 1.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   68    65    66    67   7.00000 -1.0 2.0
   68    65    66    72   7.00000 -1.0 2.0
   61    51   -52    53   0.23400  1.0 3.0
   61    51   -52    58   0.02550  1.0 1.0
   61    51   -52    58  -0.02600 -1.0 2.0
   61    51   -52    58   1.20400  1.0 3.0
   61    51    54    55   0.23400  1.0 3.0
   61    51    54    56   0.23400  1.0 3.0
   61    51    54    57   0.23400  1.0 3.0
   61    52    58    59   0.23400  1.0 3.0
   61    52    58    60   0.23400  1.0 3.0
   61    52    58    62   0.02550  1.0 1.0
   61    52    58    62  -0.02600 -1.0 2.0
   61    52    58    62   1.20400  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51   -52    61   0.02550  1.0 1.0
   54    51   -52    61  -0.02600 -1.0 2.0
   54    51   -52    61   1.20400  1.0 3.0
   54    51   -61    52   0.06250  1.0 1.0
   54    51   -61    52  -0.01100 -1.0 2.0
   54    51   -61    52   0.28050  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   62    68    65    66   1.10000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
END
