* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    141    203     399
    1     0 S   NP   _N1_     1    29.35005    90.16937   -21.66980
    2     1 S   H    _HN1     2     1.03001   105.66374    41.67697
    3     1 S   H    _H1_     3     1.02818     9.08770   140.61080
    4     1 S   H    _H2_     4     1.02789   100.10089   -70.33773
    5     1 S   CT   _CA1     5     1.50054   119.13650   166.75064
    6     5 S   HC   _HA1     6     1.09585   105.21457    52.92136
    7     5 S   CO3  _C1_     7     1.53752   112.33173   -67.18285
    8     7 S   O2Z  _O11     8     1.26327   115.08424   -48.66763
    9     7 S   O2Z  _O12     9     1.26242   114.89236   130.64716
   10     5 S   CT   _CB1    10     1.53116   107.61425   170.53758
   11    10 S   HC   HB11    11     1.09808   109.12850   -52.81378
   12    10 S   HC   HB12    12     1.09784   110.53177    63.62382
   13    10 S   CT   _CG1    13     1.53194   112.70062  -174.23704
   14    13 S   HC   HG11    14     1.09589   110.14205   -63.72432
   15    13 S   HC   HG12    15     1.09617   110.29600    55.44710
   16    13 S   C    _CD1    16     1.51786   112.01189   175.28362
   17    16 S   O    _OE1    17     1.22769   122.87720   -18.63927
   18    16 S   N    _N2_    18     1.38682   112.21801   162.49030
   19    18 S   H    _HN2    19     1.01578   119.25421     2.50194
   20    18 S   CT1  _CA2    20     1.46211   123.06041  -178.48096
   21    20 S   HC   _HA2    21     1.09483   108.88357    -4.00375
   22    20 S   C    _C2_    22     1.53473   109.09322  -119.05301
   23    22 S   O    _O2_    23     1.23051   121.99956  -148.14570
   24    20 S   CT   _CB2    32     1.53704   112.00935   118.24325
   25    24 S   HC   HB21    33     1.09669   109.22697    66.10844
   26    24 S   HC   HB22    34     1.09570   111.09786  -176.73955
   27    22 S   N    _N3_    24     1.38439   113.64525    39.32934
   28    27 S   H    _HN3    25     1.01498   118.97502    -0.54500
   29    24 S   S    _SG2    35     1.82724   114.53607   -52.78629
   30    27 S   CT   _CA3    26     1.45454   123.44985   175.02740
   31    30 S   HC   HA31    27     1.09523   109.24676    24.39413
   32    30 S   HC   HA32    28     1.09495   107.12176   141.40568
   33    29 S   CT   _C22    36     1.83381   100.78311   -79.88961
   34    33 S   F    F1__    37     1.36501   107.90622   -80.16491
   35    33 S   F    F2__    38     1.36262   110.02690    33.76418
   36    30 S   CO3  _C3_    29     1.52927   113.10136   -99.08556
   37    36 S   O2Z  _O31    30     1.26403   115.40090   -44.39285
   38    36 S   O2Z  _O32    31     1.26354   114.98221   136.52989
   39    33 S   CA   _C11    39     1.51076   109.81582   156.60147
   40    39 S   CA   _C10    40     1.39835   121.41860   101.73723
   41    40 S   HA   _H12    41     1.08722   120.53182     1.24992
   42    40 S   CA   _C9_    42     1.39483   120.26967  -178.93137
   43    42 S   HA   _H11    43     1.08718   119.39794  -179.01226
   44    42 S   CA   _C8_    44     1.40151   119.94899     1.18927
   45    44 S   CA   _C13    45     1.40533   121.32278    -1.41776
   46    44 S   C    _C7_    67     1.47424   117.68945  -178.00993
   47    46 S   O    _O33    68     1.23021   116.55560   104.81368
   48    39 S   CA   _C12    46     1.40584   119.62091   -77.22210
   49    48 S   HA   _H13    47     1.08885   118.79360    -0.92238
   50    45 S   CA   _C14    48     1.47016   123.56127   178.65128
   51    46 S   N    _N4_    69     1.39892   118.29779   -74.38228
   52    50 S   CA   _C15    49     1.40050   120.74464   112.83849
   53    52 S   HA   _H14    50     1.08837   120.29396    -2.44833
   54    51 S   CT   _C6_    70     1.46209   125.02021    -6.37428
   55    54 S   HC   _H8_    71     1.09377   108.34449   113.13423
   56    54 S   HC   _H9_    72     1.09070   112.73080    -7.79427
   57    54 S   HC   _H10    73     1.09376   109.03048  -127.91177
   58    51 S   CT   _C5_    74     1.46305   118.53373   175.72524
   59    58 S   HC   _H6_    75     1.09560   108.76346  -146.20009
   60    58 S   HC   _H7_    76     1.09584   109.08996   -29.44583
   61    52 S   CA   _C16    51     1.39687   120.91707   176.97211
   62    61 S   HA   _H15    52     1.08553   117.61191  -179.51543
   63    58 S   CT   _C4_    77     1.52024   111.94669    91.17280
   64    63 S   HC   _H3_    78     1.09498   111.14369   -57.68221
   65    63 S   HC   _H4_    79     1.09423   111.15532    62.36590
   66    63 S   HC   _H5_    80     1.09428   110.30678  -177.81421
   67    61 S   CA   _C17    53     1.39733   120.35711    -0.07402
   68    67 S   CA   _C18    54     1.40659   119.46371     0.70527
   69    67 S   OS   _O35    62     1.37329   124.64516  -178.70246
   70    50 S   CA   _C19    55     1.40472   120.71854   -69.83798
   71    70 S   HA   _H16    56     1.08663   118.21546     1.17136
   72    68 S   OS   _O34    57     1.37410   115.86110  -179.05976
   73    69 S   CT   _C21    63     1.42242   117.23776    -2.32254
   74    73 S   HC   _H20    64     1.09428   107.72727  -178.80253
   75    73 S   HC   _H21    65     1.09493   111.07762    63.53827
   76    73 S   HC   _H22    66     1.09498   111.19391   -61.04951
   77    72 S   CT   _C20    58     1.42281   117.15120  -171.24395
   78    77 S   HC   _H17    59     1.09418   107.72925   174.94429
   79    77 S   HC   _H18    60     1.09447   111.24002    57.09182
   80    77 S   HC   _H19    61     1.09392   111.14955   -67.34872
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3  11  12  12   3   4
   1   9  11   8   4   7   3   2   1   6   5   4   7   3   3   2
   1   1  10   9   6   3   1   4   3   2   1   1   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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    50  
   41    42    43    44    45    48    49    46  
   42    43    44    48  
   43    44    45    48    50    46    47    51  
   44    45    46  
   45    48    49    50    52    70    46    47    51    54    58  
   48    49    50    52    53    61    68    70    71    46    47    51  
   47    51    54    55    56    57    58    59    60    63    48    50  
   51    54    58  
   49    50    52    70  
   50  
   52    53    61    62    67    68    70    71    72  
   54    55    56    57    58    59    60    63    64    65    66  
   53    61    62    67    68    70    71    69  
   61    62    67    70  
   55    56    57    58    59    60    63  
   56    57    58  
   57    58  
   58  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    70    72    69    73  
   67    68    69  
   64    65    66  
   65    66  
   66  
    0  
   68    70    71    72    77    69    73    74    75    76  
   70    71    72    77    78    79    80    69    73  
   73    74    75    76    70    72  
   71    72    77  
   72  
   77    78    79    80  
   74    75    76  
   75    76  
   76  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   400.000  1.490
   45    48   469.000  1.400
   45    50   375.000  1.464
   48    49   367.000  1.080
   50    52   469.000  1.400
   50    70   469.000  1.400
   52    53   367.000  1.080
   52    61   469.000  1.400
   61    62   367.000  1.080
   61    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    72   450.000  1.364
   70    71   367.000  1.080
   72    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   570.000  1.229
   46    51   490.000  1.335
   51    54   337.000  1.449
   51    58   337.000  1.449
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    45    63.00000  120.00000
   39    48    49    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  120.00000
   44    42    43    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    45    50    60.00000  122.76000
   44    46    47    80.00000  120.40000
   44    46    51    75.00000  113.92100
   45    48    49    35.00000  120.00000
   45    50    52    60.00000  122.76000
   45    50    70    60.00000  122.76000
   48    39    40    63.00000  120.00000
   50    45    48    60.00000  122.76000
   50    52    53    35.00000  120.00000
   50    52    61    63.00000  120.00000
   50    70    68    63.00000  120.00000
   50    70    71    35.00000  120.00000
   52    61    62    35.00000  120.00000
   52    61    67    63.00000  120.00000
   61    52    53    35.00000  120.00000
   61    67    68    63.00000  120.00000
   61    67    69    70.00000  120.00000
   67    61    62    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    68    72    70.00000  120.00000
   67    69    73    75.00000  111.00000
   68    70    71    35.00000  120.00000
   68    72    77    75.00000  111.00000
   70    50    52    63.00000  120.00000
   72    68    70    70.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    67    68    70.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    44    45    85.00000  120.00000
   46    51    54    50.00000  121.90000
   46    51    58    50.00000  121.90000
   51    46    47    80.00000  122.90000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    63    70.00000  110.72300
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    54    50.00000  118.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    45   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    48    45   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    45    50   3.62500 -1.0 2.0
   42    44    46    47   1.05000 -1.0 2.0
   42    44    46    51   0.75700  1.0 1.0
   42    44    46    51   0.34650 -1.0 2.0
   42    44    46    51   0.33000  1.0 3.0
   42    44    46    51  -0.28100 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -48    39   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    45    50    52  -0.19450  1.0 1.0
   44    45    50    52   0.63300 -1.0 2.0
   44    45    50    52   0.07450  1.0 3.0
   44    45    50    70  -0.19450  1.0 1.0
   44    45    50    70   0.63300 -1.0 2.0
   44    45    50    70   0.07450  1.0 3.0
   44    46    51    54   1.49850  1.0 1.0
   44    46    51    54   1.53950 -1.0 2.0
   44    46    51    58   1.49850  1.0 1.0
   44    46    51    58   1.53950 -1.0 2.0
   45    44    46    47   1.05000 -1.0 2.0
   45    44    46    51   0.75700  1.0 1.0
   45    44    46    51   0.34650 -1.0 2.0
   45    44    46    51   0.33000  1.0 3.0
   45    44    46    51  -0.28100 -1.0 4.0
   45    50    52    53   3.62500 -1.0 2.0
   45    50    52    61   3.62500 -1.0 2.0
   45    50    70    68   3.62500 -1.0 2.0
   45    50    70    71   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   48    45    50    52  -0.19450  1.0 1.0
   48    45    50    52   0.63300 -1.0 2.0
   48    45    50    52   0.07450  1.0 3.0
   48    45    50    70  -0.19450  1.0 1.0
   48    45    50    70   0.63300 -1.0 2.0
   48    45    50    70   0.07450  1.0 3.0
   50    45    48    39   3.62500 -1.0 2.0
   50    45    48    49   3.62500 -1.0 2.0
   50    52    61    62   3.62500 -1.0 2.0
   50    52    61    67   3.62500 -1.0 2.0
   52    50    70    68   3.62500 -1.0 2.0
   52    50    70    71   3.62500 -1.0 2.0
   52    61   -67    68   3.62500 -1.0 2.0
   52    61    67    69   3.62500 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    52    61    67   3.62500 -1.0 2.0
   61    67    68    70   3.62500 -1.0 2.0
   61    67    68    72   3.62500 -1.0 2.0
   61    67    69    73   1.63200 -1.0 2.0
   62    61    67    68   3.62500 -1.0 2.0
   62    61    67    69   3.62500 -1.0 2.0
   67    68   -70    50   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    72    77   1.63200 -1.0 2.0
   67    69    73    74   0.08050  1.0 3.0
   67    69    73    75   0.08050  1.0 3.0
   67    69    73    76   0.08050  1.0 3.0
   68    67    69    73   1.63200 -1.0 2.0
   68    72    77    78   0.08050  1.0 3.0
   68    72    77    79   0.08050  1.0 3.0
   68    72    77    80   0.08050  1.0 3.0
   70    50    52    53   3.62500 -1.0 2.0
   70    50   -52    61   3.62500 -1.0 2.0
   70    68    72    77   1.63200 -1.0 2.0
   72    68    70    50   3.62500 -1.0 2.0
   72    68    70    71   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    72   3.62500 -1.0 2.0
   46    44    45    48   3.62500 -1.0 2.0
   46    44    45    50   3.62500 -1.0 2.0
   46    51    54    55   0.00000  1.0 1.0
   46    51    54    56   0.00000  1.0 1.0
   46    51    54    57   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    60   0.00000  1.0 1.0
   46    51    58    63  -0.43950  1.0 1.0
   46    51    58    63  -0.08100 -1.0 2.0
   46    51    58    63   0.03350  1.0 3.0
   47    46    51    54   3.04450 -1.0 2.0
   47    46    51    58   3.04450 -1.0 2.0
   51    58    63    64   0.15000  1.0 3.0
   51    58    63    65   0.15000  1.0 3.0
   51    58    63    66   0.15000  1.0 3.0
   54    51    58    59   0.00000  1.0 1.0
   54    51    58    60   0.00000  1.0 1.0
   54    51    58    63  -0.05900 -1.0 2.0
   58    51    54    55   0.00000  1.0 1.0
   58    51    54    56   0.00000  1.0 1.0
   58    51    54    57   0.00000  1.0 1.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   48    50    45    44   4.00000 -1.0 2.0
   45    49    48    39   1.10000 -1.0 2.0
   52    70    50    45   4.00000 -1.0 2.0
   61    53    52    50   1.10000 -1.0 2.0
   67    62    61    52   1.10000 -1.0 2.0
   68    69    67    61   4.00000 -1.0 2.0
   70    72    68    67   4.00000 -1.0 2.0
   68    71    70    50   1.10000 -1.0 2.0
   44    51    46    47  10.50000 -1.0 2.0
   58    46    51    54   1.00000 -1.0 2.0
END
