* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    152    244     440
    1     0 S   NP   _N1_     1    28.66429    96.27533   -22.12947
    2     1 S   H    _HN1     2     1.02776    95.33017   -95.92234
    3     1 S   H    _H1_     3     1.02961    85.86215    12.09406
    4     1 S   H    _H2_     4     1.02845    30.30631   147.19010
    5     1 S   CT   _CA1     5     1.50032   140.10884   129.42181
    6     5 S   HC   _HA1     6     1.09587   105.32909    68.86420
    7     5 S   CO3  _C1_     7     1.53717   112.21971   -51.36355
    8     7 S   O2Z  _O11     8     1.26331   114.95823   -52.28809
    9     7 S   O2Z  _O12     9     1.26231   114.69671   127.04403
   10     5 S   CT   _CB1    10     1.53029   107.48656  -173.42639
   11    10 S   HC   HB11    11     1.09817   109.23840   -54.07206
   12    10 S   HC   HB12    12     1.09828   110.51014    62.39969
   13    10 S   CT   _CG1    13     1.52987   112.57023  -175.35076
   14    13 S   HC   HG11    14     1.09617   110.29305   -61.65427
   15    13 S   HC   HG12    15     1.09625   110.23446    57.56772
   16    13 S   C    _CD1    16     1.51694   112.05168   177.70919
   17    16 S   O    _OE1    17     1.22739   123.14725   -13.60621
   18    16 S   N    _N2_    18     1.38553   111.69558   167.26662
   19    18 S   H    _HN2    19     1.01581   119.15810     0.87626
   20    18 S   CT1  _CA2    20     1.46129   123.28960  -178.01446
   21    20 S   HC   _HA2    21     1.09732   109.41692   -10.27843
   22    20 S   C    _C2_    22     1.53433   108.46125  -126.01141
   23    22 S   O    _O2_    23     1.23025   122.27366  -146.45311
   24    20 S   CT   _CB2    32     1.53423   111.30218   111.65777
   25    24 S   HC   HB21    33     1.09487   109.52827    56.89606
   26    24 S   HC   HB22    34     1.09456   109.87704   175.53691
   27    22 S   N    _N3_    24     1.38527   113.40562    41.01655
   28    27 S   H    _HN3    25     1.01520   118.86800    -0.69998
   29    24 S   S    _SG2    35     1.83000   111.56947   -64.88640
   30    27 S   CT   _CA3    26     1.45438   123.44226   175.11292
   31    30 S   HC   HA31    27     1.09525   109.20928    24.98744
   32    30 S   HC   HA32    28     1.09495   107.12976   141.97963
   33    29 S   CT   _C27    36     1.84528   100.99963   163.13750
   34    33 S   OM   _O41    37     1.31925   110.33005   179.65508
   35    30 S   CO3  _C3_    29     1.52923   113.13340   -98.47572
   36    35 S   O2Z  _O31    30     1.26402   115.41148   -44.55650
   37    35 S   O2Z  _O32    31     1.26358   114.98174   136.39174
   38    33 S   CT   _C28    38     1.54575   107.75684    64.54979
   39    38 S   HC   _H15    39     1.09665   111.60585   -67.11121
   40    38 S   HC   _H16    40     1.10015   111.18297   176.52025
   41    38 S   HC   _H17    41     1.09821   113.27499    55.54824
   42    33 S   OS   _O40    42     1.44576   113.91444   -50.92313
   43    42 S   CA   _C14    43     1.36697   124.54230   -66.66398
   44    43 S   CA   _C15    44     1.39280   127.31405    -1.28451
   45    44 S   HA   _H10    45     1.08448   122.11766     1.10074
   46    44 S   CA   _C16    46     1.40159   120.37496  -177.46959
   47    46 S   HA   _H11    47     1.08790   118.35564   178.28685
   48    46 S   CA   _C17    48     1.40343   121.12989    -0.45628
   49    48 S   CA   _C12    49     1.39692   118.06776    -1.36415
   50    48 S   CT   _C18    62     1.51609   122.36549   175.11974
   51    43 S   CA   _C13    50     1.39815   113.98146   179.53775
   52    51 S   HA   _H9_    51     1.08825   119.56747    -1.34988
   53    49 S   OS   _O35    52     1.37434   123.41653  -178.84597
   54    50 S   CA   _C19    63     1.49535   112.48334   -68.41736
   55    50 S   OS   _O37    74     1.45938   109.30377    43.73384
   56    53 S   CA   _C10    53     1.37445   118.18545    13.32779
   57    54 S   CA   _C20    64     1.38424   130.24282   -62.46337
   58    57 S   HA   _H12    65     1.08519   121.28953     0.20367
   59    56 S   CA   _C11    54     1.39672   115.83809   165.91133
   60    59 S   HA   _H8_    55     1.08620   120.48340    -0.43611
   61    57 S   CA   _C21    66     1.40023   118.53666  -179.80218
   62    61 S   HA   _H13    67     1.08824   118.22066  -179.97202
   63    59 S   CA   _C6_    56     1.39203   119.11532   179.64946
   64    61 S   CA   _C22    68     1.41475   121.53878     0.06256
   65    63 S   CA   _C7_    57     1.39137   121.33586     1.13969
   66    65 S   HA   _H6_    58     1.08570   120.80016   178.93614
   67    64 S   CA   _C23    69     1.40452   118.76795    -0.03426
   68    67 S   HA   _H14    70     1.08566   121.45640   179.94405
   69    64 S   CO3  _C26    75     1.50993   120.57260   179.92598
   70    69 S   O2Z  _O39    76     1.27079   117.24882  -179.62258
   71    69 S   O2Z  _O38    77     1.27085   117.29393     0.35553
   72    63 S   OS   _O34    78     1.39608   119.35131   178.22194
   73    65 S   CA   _C8_    59     1.39487   119.11479    -1.59716
   74    73 S   HA   _H7_    60     1.08723   118.47271  -178.80450
   75    54 S   CA   _C24    71     1.37985   109.80363   117.72169
   76    72 S   CO4  _C5_    79     1.39022   112.74668    90.40367
   77    76 S   O    _O33    80     1.22381   127.10390     0.08393
   78    56 S   CA   _C9_    61     1.40220   123.23222   -14.44585
   79    75 S   CO4  _C25    72     1.45448   109.07513     0.14265
   80    79 S   O    _O36    73     1.21478   126.49838   177.93465
   81    76 S   CT   _C4_    81     1.49992   108.68139  -179.93744
   82    81 S   HC   _H3_    82     1.09286   109.82411   -61.06325
   83    81 S   HC   _H4_    83     1.09378   109.32384   179.90309
   84    81 S   HC   _H5_    84     1.09286   109.82546    60.88547
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   9   3  13
   9  17   3   1   6  14   8   8   9   4   8   4   8   3   9   7
   6   4   7   3   3   1   1   7   2   1   3   5   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    51    52  
   44    45    46    47    48    49    51    52    53  
   45    46    47    48    49    51    52    50  
   46    47    48    51  
   47    48    49    51    53    78    50    54    55  
   48    49    50  
   49    51    52    53    56    73    78    50    54    57    75    79    55  
   51    52    53    56    59    78    50    54    55  
   54    57    58    61    67    75    79    80    55    51    53    56    59    65    73    74    78  
   52    53    56  
   53  
   56    59    60    63    73    78  
   57    58    61    62    64    67    68    75    79    80    55    56    73    78  
   56    57    67    73    75    78    79    80  
   59    60    63    65    73    74    78    72  
   58    61    62    64    67    75    79    69    78  
   61    62    64    75  
   60    63    65    66    73    78    72    76  
   63    65    78    72  
   62    64    67    68    75    69    70    71  
   64    67    69  
   65    66    73    74    78    72    76    77    81  
   67    68    75    79    69    70    71  
   66    73    74    78    72    76  
   73    74    78    72  
   68    75    79    80    69    70    71  
   75    79    69  
   70    71    75  
   71  
    0  
   76    77    81    82    83    84    73  
   74    78  
   78  
   79    80    78  
   77    81    82    83    84  
   81    82    83    84  
   79  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    51   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   317.000  1.510
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   53    56   450.000  1.364
   56    59   469.000  1.400
   56    78   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    72   450.000  1.364
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    50   317.000  1.510
   50    54   317.000  1.510
   50    55   320.000  1.410
   54    57   469.000  1.400
   54    75   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   469.000  1.400
   64    69   400.000  1.490
   67    68   367.000  1.080
   67    75   469.000  1.400
   75    79   310.000  1.470
   79    80   570.000  1.229
   79    55   214.000  1.327
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    76   214.000  1.327
   76    77   570.000  1.229
   76    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    51    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    51    49    63.00000  120.00000
   43    51    52    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    70.00000  120.00000
   48    50    78    70.00000  112.04700
   48    50    54    70.00000  112.04700
   48    50    55    85.00000  111.85700
   49    51    52    35.00000  120.00000
   49    53    56    85.00000  114.70000
   51    43    44    63.00000  120.00000
   53    49    51    70.00000  120.00000
   53    56    59    70.00000  120.00000
   53    56    78    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   56    78    73    63.00000  120.00000
   56    78    50    70.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    72    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    73    63.00000  120.00000
   63    72    76    85.00000  115.98000
   65    73    74    35.00000  120.00000
   65    73    78    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    78    50    70.00000  120.00000
   78    56    59    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    50    54    70.00000  112.04700
   78    50    55    85.00000  111.85700
   50    48    49    70.00000  120.00000
   50    54    57    70.00000  120.00000
   50    54    75    70.00000  120.00000
   50    55    79    83.00000  116.90000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   54    75    67    63.00000  120.00000
   54    75    79    60.00000  119.52600
   57    61    62    35.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    67    63.00000  120.00000
   61    64    69    85.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    75    63.00000  120.00000
   64    69    70    80.00000  120.40000
   64    69    71    80.00000  120.40000
   67    75    79    60.00000  119.52600
   75    54    57    63.00000  120.00000
   75    67    68    35.00000  120.00000
   75    79    80    75.00000  123.78400
   75    79    55    81.00000  111.40000
   55    50    54    85.00000  111.85700
   55    79    80    83.00000  123.40000
   69    64    67    85.00000  120.00000
   71    69    70    80.00000  126.00000
   72    63    65    70.00000  120.00000
   72    76    77    83.00000  123.40000
   72    76    81    81.00000  111.40000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   81    76    77    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    51   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    51    49   3.62500 -1.0 2.0
   42    43    51    52   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    51    49   3.62500 -1.0 2.0
   44    43    51    52   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    78   0.04300 -1.0 2.0
   46    48    50    54   0.04300 -1.0 2.0
   46    48    50    55   0.64500  1.0 1.0
   46    48    50    55   0.14800 -1.0 2.0
   46    48    50    55   0.20650  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    43   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    56   0.47150 -1.0 2.0
   48    50    54    57   0.04300 -1.0 2.0
   48    50    54    75   0.04300 -1.0 2.0
   48    50    55    79  -0.43900 -1.0 2.0
   48    50    55    79   0.14100  1.0 3.0
   49    48    50    78   0.04300 -1.0 2.0
   49    48    50    54   0.04300 -1.0 2.0
   49    48    50    55   0.64500  1.0 1.0
   49    48    50    55   0.14800 -1.0 2.0
   49    48    50    55   0.20650  1.0 3.0
   49    53    56    59   0.47150 -1.0 2.0
   49    53   -56    78   0.47150 -1.0 2.0
   51    43    44    45   3.62500 -1.0 2.0
   51    43   -44    46   3.62500 -1.0 2.0
   51    49    53    56   0.47150 -1.0 2.0
   53    49    51    43   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56    59    63   3.62500 -1.0 2.0
   53    56    78    73   3.62500 -1.0 2.0
   53    56    78    50   3.62500 -1.0 2.0
   56    59    63    65   3.62500 -1.0 2.0
   56    59    63    72   3.62500 -1.0 2.0
   56    78   -50    48   0.04300 -1.0 2.0
   56    78    50    54   0.04300 -1.0 2.0
   56    78    50    55   0.64500  1.0 1.0
   56    78    50    55   0.14800 -1.0 2.0
   56    78    50    55   0.20650  1.0 3.0
   59    56    78    73   3.62500 -1.0 2.0
   59    56    78    50   3.62500 -1.0 2.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63   -65    73   3.62500 -1.0 2.0
   59    63    72    76   0.01300  1.0 1.0
   59    63    72    76   0.97950 -1.0 2.0
   59    63    72    76  -0.55700  1.0 3.0
   60    59    63    65   3.62500 -1.0 2.0
   60    59    63    72   3.62500 -1.0 2.0
   63    65    73    74   3.62500 -1.0 2.0
   63    65    73    78   3.62500 -1.0 2.0
   63    72    76    77   3.00000 -1.0 2.0
   63    72    76    81   0.75600  1.0 1.0
   63    72    76    81   1.63000 -1.0 2.0
   65    63    72    76   0.01300  1.0 1.0
   65    63    72    76   0.97950 -1.0 2.0
   65    63    72    76  -0.55700  1.0 3.0
   65    73   -78    56   3.62500 -1.0 2.0
   65    73    78    50   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    65    73    78   3.62500 -1.0 2.0
   73    78    50    48   0.04300 -1.0 2.0
   73    78    50    54   0.04300 -1.0 2.0
   73    78    50    55   0.64500  1.0 1.0
   73    78    50    55   0.14800 -1.0 2.0
   73    78    50    55   0.20650  1.0 3.0
   74    73    78    56   3.62500 -1.0 2.0
   74    73    78    50   3.62500 -1.0 2.0
   78    56    59    60   3.62500 -1.0 2.0
   78    56   -59    63   3.62500 -1.0 2.0
   78    50    54    57   0.04300 -1.0 2.0
   78    50    54    75   0.04300 -1.0 2.0
   78    50    55    79  -0.43900 -1.0 2.0
   78    50    55    79   0.14100  1.0 3.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48   -49    53   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   50    54    75    67   3.62500 -1.0 2.0
   50    54   -75    79   3.62500 -1.0 2.0
   54    50   -55    79  -0.43900 -1.0 2.0
   54    50   -55    79   0.14100  1.0 3.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    61    64   3.62500 -1.0 2.0
   54    75    79    80   1.05000 -1.0 2.0
   54    75   -79    55   0.98750 -1.0 2.0
   57    54    75    67   3.62500 -1.0 2.0
   57    54    75    79   3.62500 -1.0 2.0
   57    61   -64    67   3.62500 -1.0 2.0
   57    61    64    69   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    64    67    68   3.62500 -1.0 2.0
   61    64    67    75   3.62500 -1.0 2.0
   61    64    69    70   1.05000 -1.0 2.0
   61    64    69    71   1.05000 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    67   -75    54   3.62500 -1.0 2.0
   64    67    75    79   3.62500 -1.0 2.0
   67    64    69    70   1.05000 -1.0 2.0
   67    64    69    71   1.05000 -1.0 2.0
   67    75    79    80   1.05000 -1.0 2.0
   67    75    79    55   0.98750 -1.0 2.0
   68    67    75    54   3.62500 -1.0 2.0
   68    67    75    79   3.62500 -1.0 2.0
   75    54    57    58   3.62500 -1.0 2.0
   75    54   -57    61   3.62500 -1.0 2.0
   75    79   -55    50   0.59950  1.0 1.0
   75    79   -55    50   3.24850 -1.0 2.0
   80    79    55    50   3.00000 -1.0 2.0
   55    50    54    57   0.64500  1.0 1.0
   55    50    54    57   0.14800 -1.0 2.0
   55    50    54    57   0.20650  1.0 3.0
   55    50   -54    75   0.64500  1.0 1.0
   55    50   -54    75   0.14800 -1.0 2.0
   55    50   -54    75   0.20650  1.0 3.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    75   3.62500 -1.0 2.0
   72    63    65    66   3.62500 -1.0 2.0
   72    63    65    73   3.62500 -1.0 2.0
   72    76    81    82   0.00000  1.0 1.0
   72    76    81    83   0.00000  1.0 1.0
   72    76    81    84   0.00000  1.0 1.0
   77    76    81    82   0.00000  1.0 1.0
   77    76    81    83   0.00000  1.0 1.0
   77    76    81    84   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    51    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    43   1.10000 -1.0 2.0
   59    78    56    53   4.00000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    72    63    59   4.00000 -1.0 2.0
   73    66    65    63   1.10000 -1.0 2.0
   78    74    73    65   1.10000 -1.0 2.0
   73    50    78    56   4.00000 -1.0 2.0
   57    75    54    50   4.00000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    62    61    57   1.10000 -1.0 2.0
   67    69    64    61   4.00000 -1.0 2.0
   75    68    67    64   1.10000 -1.0 2.0
   67    79    75    54   4.00000 -1.0 2.0
   75    55    79    80  10.50000 -1.0 2.0
   70    64    69    71  10.50000 -1.0 2.0
   72    81    76    77  10.50000 -1.0 2.0
END
