* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    236     447
    1     0 S   NP   _N1_     1    28.74959    93.53108   -19.56177
    2     1 S   H    _HN1     2     1.02788    87.99152   -65.88798
    3     1 S   H    _H1_     3     1.02958   101.07103    42.32112
    4     1 S   H    _H2_     4     1.02838    24.53617   149.48552
    5     1 S   CT   _CA1     5     1.50171   133.54933   174.94313
    6     5 S   HC   _HA1     6     1.09596   105.13637    48.31476
    7     5 S   CO3  _C1_     7     1.53710   112.11933   -71.43735
    8     7 S   O2Z  _O11     8     1.26330   115.18103   -49.97984
    9     7 S   O2Z  _O12     9     1.26222   114.86876   128.87667
   10     5 S   CT   _CB1    10     1.53091   107.29186   165.68503
   11    10 S   HC   HB11    11     1.09812   108.93816   -52.74889
   12    10 S   HC   HB12    12     1.09822   110.54782    63.60236
   13    10 S   CT   _CG1    13     1.53053   112.89807  -174.09708
   14    13 S   HC   HG11    14     1.09530   109.99453   -66.36405
   15    13 S   HC   HG12    15     1.09625   110.30356    52.75588
   16    13 S   C    _CD1    16     1.51938   112.12755   172.65610
   17    16 S   O    _OE1    17     1.22766   123.04665   -14.11170
   18    16 S   N    _N2_    18     1.38545   111.99365   166.99824
   19    18 S   H    _HN2    19     1.01690   119.15004     0.63118
   20    18 S   CT1  _CA2    20     1.46389   123.60403  -178.42617
   21    20 S   HC   _HA2    21     1.09734   109.19690   -20.16357
   22    20 S   C    _C2_    22     1.53438   108.25946  -135.86505
   23    22 S   O    _O2_    23     1.23018   122.28568  -146.97818
   24    20 S   CT   _CB2    32     1.53594   111.39998   102.13158
   25    24 S   HC   HB21    33     1.09492   109.22767    53.19598
   26    24 S   HC   HB22    34     1.09482   111.01313   171.91002
   27    22 S   N    _N3_    24     1.38528   113.32706    40.59422
   28    27 S   H    _HN3    25     1.01529   118.88617    -0.93419
   29    24 S   S    _SG2    35     1.82677   111.53683   -68.57573
   30    27 S   CT   _CA3    26     1.45430   123.42393   175.18525
   31    30 S   HC   HA31    27     1.09527   109.17889    25.24550
   32    30 S   HC   HA32    28     1.09495   107.12793   142.22760
   33    29 S   CT   _C21    36     1.82713   100.08266   153.30737
   34    33 S   HC   _H3_    37     1.09510   107.89539    91.55866
   35    33 S   HC   _H4_    38     1.09269   109.18987   -24.78031
   36    30 S   CO3  _C3_    29     1.52929   113.18412   -98.20195
   37    36 S   O2Z  _O31    30     1.26403   115.45565   -43.72462
   38    36 S   O2Z  _O32    31     1.26368   114.97053   137.23495
   39    33 S   CT   _C22    39     1.53601   113.40598  -146.27122
   40    39 S   HC   _H47    40     1.09873   108.04604   178.24097
   41    39 S   CO4  _C12    41     1.52193   110.97938    61.31240
   42    41 S   O    _O22    42     1.22419   124.57952   -99.47769
   43    39 S   CT   _C19    79     1.52905   113.51129   -64.29709
   44    43 S   HC   _H40    80     1.09472   112.42807    65.78019
   45    43 S   HC   _H41    81     1.09590   110.33121  -174.91631
   46    43 S   HC   _H42    82     1.09489   110.79297   -55.50471
   47    41 S   OS   _O26    43     1.36773   109.81251    79.85683
   48    47 S   CT   _C14    44     1.46128   117.58086  -175.52950
   49    48 S   HC   _H34    45     1.09736   108.13249    30.83386
   50    48 S   CM   _C5_    46     1.52928   105.77779   -85.22251
   51    50 S   HC   _H29    47     1.09225   111.65309    33.76917
   52    48 S   CT   _C15    60     1.55694   106.83845   148.01437
   53    52 S   HC   _H35    61     1.09532   108.65583    77.17420
   54    50 S   CM   _C6_    48     1.35098   133.89263  -147.36277
   55    52 S   CM   _C8_    62     1.49633   114.88858   -43.52664
   56    54 S   CM   _C7_    49     1.44052   123.91503    -3.92101
   57    55 S   CO4  _C10    63     1.46837   110.20608  -100.95283
   58    57 S   O    _O21    64     1.21730   127.18453   167.51928
   59    55 S   CM   _C11    66     1.33628   128.25170    85.31455
   60    59 S   HC   _H30    67     1.08507   120.72571    -3.38778
   61    59 S   HC   _H31    68     1.08513   121.85122   176.63803
   62    54 S   CT   _C20    74     1.51004   120.77018  -179.08486
   63    62 S   HC   _H43    75     1.09571   111.01090   121.59757
   64    62 S   HC   _H44    76     1.09536   111.99321     1.25492
   65    56 S   CM   _C4_    50     1.33238   125.70874  -105.73529
   66    65 S   HC   _H28    51     1.07396   130.91697    -3.05678
   67    81 S   OS   _O24    65     1.44582   108.52510  -165.20772
   68    62 S   OH   _O25    77     1.42284   109.50851  -118.27025
   69    68 S   HO   _H48    78     0.97220   106.98907  -179.03086
   70    65 S   CO4  _C9_    52     1.45780   101.15731   167.50177
   71    70 S   O    _O20    53     1.22062   123.58086   175.75679
   72    70 S   CT   _C17    54     1.51092   110.04876    -6.77876
   73    72 S   CT   _C13    55     1.54297   111.77054  -100.26611
   74    73 S   HC   _H32    56     1.09801   109.63605   -52.19911
   75    73 S   HC   _H33    57     1.09825   109.60763  -167.53598
   76    56 S   OS   _O23    69     1.38972   116.00194    69.08823
   77    72 S   CT   _C18    70     1.52119   111.06051   133.15689
   78    77 S   HC   _H37    71     1.09552   110.81059  -171.00623
   79    77 S   HC   _H38    72     1.09490   111.54451    67.72033
   80    77 S   HC   _H39    73     1.09626   110.99869   -52.74596
   81    73 S   CT   _C16    58     1.54496   114.29060    70.94231
   82    81 S   HC   _H36    59     1.09135   109.98286   -51.00383
  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   9   7  10   3   4   2   1   1   9  15
   7  13   4  15   7  11   9  12   8   3   4   1   1   6   3   2
   7   4   6   1   1  11   4  10   9   5   4   5   4   2   1   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    52    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    54    81    52    53    55  
   49    50    51    54    56    73    81    82    52    53    55    57    67    59    62  
   50    51    54    81    52    53    55  
   51    54    56    65    81    52    53    55    76    62    63    64    68  
   54    56    52    62  
   53    55    57    58    67    59    60    61    54    72    73    74    75    81    82  
   55    57    67    59    73    81    82  
   56    65    66    70    72    76    62    63    64    68    69  
   57    58    67    59    60    61    73    81    82  
   65    66    70    71    72    73    76    77    62    63    64    68  
   58    67    59    60    61    73    81    82  
   67    59    81  
   60    61    67    81  
   61  
    0  
   63    64    68    69    65    76  
   64    68    69  
   68    69  
   66    70    71    72    73    76    77  
   70    71    72    76  
   72    73    74    75    81    82  
   69  
    0  
   71    72    73    74    75    81    76    77    78    79    80  
   72    73    76    77  
   73    74    75    81    82    76    77    78    79    80  
   74    75    81    82    76    77    78    79    80  
   75    81    82    76    77  
   81    82    76    77  
   77    78    79    80    81  
   78    79    80    81  
   79    80  
   80  
    0  
   82  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.145000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   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    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    52   268.000  1.529
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   380.000  1.444
   54    62   317.000  1.510
   56    65   549.000  1.340
   56    76   440.000  1.360
   65    66   340.000  1.080
   65    70   320.000  1.462
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   268.000  1.529
   72    76   320.000  1.410
   72    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    81   268.000  1.529
   81    82   340.000  1.090
   81    52   268.000  1.529
   81    67   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    57   320.000  1.462
   55    59   549.000  1.340
   57    58   570.000  1.229
   57    67   214.000  1.327
   59    60   340.000  1.080
   59    61   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   320.000  1.410
   68    69   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    43    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    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  110.90400
   47    48    52    50.00000  109.50000
   48    50    51    35.00000  117.00000
   48    50    54    70.00000  124.00000
   48    52    81    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    55    70.00000  112.02700
   50    48    49    35.00000  109.50000
   50    54    56    70.00000  123.01800
   50    54    62    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    56    65    70.00000  123.01800
   54    56    76    80.00000  120.01400
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    68    90.00000  110.39200
   56    65    66    35.00000  120.00000
   56    65    70    65.00000  118.96000
   56    76    72    90.00000  111.18400
   65    70    71    80.00000  123.72100
   65    70    72    65.00000  118.62400
   70    65    66    40.00000  117.72500
   70    72    73    63.00000  111.10000
   70    72    76    90.00000  108.74100
   70    72    77    63.00000  111.10000
   72    70    71    80.00000  120.40000
   72    73    74    37.50000  110.70000
   72    73    75    37.50000  110.70000
   72    73    81    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    37.50000  110.70000
   73    81    82    37.50000  110.70000
   73    81    52    58.35000  112.70000
   73    81    67    50.00000  109.50000
   75    73    74    33.00000  107.80000
   81    73    74    37.50000  110.70000
   81    73    75    37.50000  110.70000
   81    52    53    37.50000  110.70000
   81    52    55    70.00000  112.02700
   81    67    57    83.00000  116.90000
   52    48    49    37.50000  110.70000
   52    48    50    70.00000  112.02700
   52    81    82    37.50000  110.70000
   52    55    57    65.00000  116.34900
   52    55    59    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    57    58    80.00000  123.72100
   55    57    67    90.00000  111.29400
   55    59    60    35.00000  120.00000
   55    59    61    35.00000  120.00000
   67    81    82    35.00000  109.50000
   67    81    52    50.00000  109.50000
   67    57    58    83.00000  123.40000
   59    55    57    65.00000  118.96000
   61    59    60    35.00000  117.00000
   76    56    65    80.00000  120.01400
   76    72    73    50.00000  109.50000
   77    72    73    58.35000  112.70000
   77    72    76    50.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   62    54    56    70.00000  124.00000
   62    68    69    55.00000  108.50000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   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    43   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    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.82050  1.0 1.0
   41    47    48    50   0.00600 -1.0 2.0
   41    47    48    50   0.04400  1.0 3.0
   41    47    48    52  -0.25900  1.0 1.0
   41    47    48    52  -0.47000 -1.0 2.0
   41    47    48    52   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.00000  1.0 1.0
   47    48    50    54   0.39000  1.0 1.0
   47    48    50    54  -0.05800 -1.0 2.0
   47    48    50    54  -0.55150  1.0 3.0
   47    48    52    81   0.62750  1.0 1.0
   47    48    52    81  -0.30950 -1.0 2.0
   47    48    52    81   0.27300  1.0 3.0
   47    48    52    53   0.23400  1.0 3.0
   47    48    52    55   0.61850  1.0 1.0
   47    48    52    55  -0.22750 -1.0 2.0
   47    48    52    55   0.15300  1.0 3.0
   48    50    54    56   7.00000 -1.0 2.0
   48    50    54    62   7.00000 -1.0 2.0
   48    52    55    57   0.09700  1.0 1.0
   48    52    55    57   0.15600 -1.0 2.0
   48    52    55    57  -0.50800  1.0 3.0
   48    52    55    59   0.09850  1.0 1.0
   48    52    55    59   0.15250 -1.0 2.0
   48    52    55    59  -0.50650  1.0 3.0
   49    48    50    51   0.33100  1.0 3.0
   49    48    50    54   0.00000  1.0 1.0
   49    48    52    81   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   50    48    52    81   0.34400  1.0 1.0
   50    48    52    81   0.09450 -1.0 2.0
   50    48    52    81   0.11100  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    55   0.31000  1.0 1.0
   50    48    52    55   0.14700 -1.0 2.0
   50    48    52    55   0.07550  1.0 3.0
   50    54    56    65   0.28850  1.0 1.0
   50    54    56    65   2.61350 -1.0 2.0
   50    54    56    65   0.78400  1.0 3.0
   50    54    56    76  -0.51250  1.0 1.0
   50    54    56    76   1.23350 -1.0 2.0
   50    54    62    63   0.00000  1.0 1.0
   50    54    62    64   0.00000  1.0 1.0
   50    54    62    68   0.67800  1.0 1.0
   50    54    62    68   0.47050 -1.0 2.0
   50    54    62    68  -0.62500  1.0 3.0
   51    50    54    56   7.00000 -1.0 2.0
   51    50    54    62   7.00000 -1.0 2.0
   54    56    65    66   7.00000 -1.0 2.0
   54    56    65    70   7.00000 -1.0 2.0
   54    56    76    72  -2.26850  1.0 1.0
   54    56    76    72   3.39050 -1.0 2.0
   54    62    68    69  -0.07800  1.0 1.0
   54    62    68    69  -0.21500 -1.0 2.0
   54    62    68    69  -0.03150  1.0 3.0
   56    54    62    63   0.00000  1.0 1.0
   56    54    62    64   0.00000  1.0 1.0
   56    54    62    68  -0.17300  1.0 1.0
   56    54    62    68   0.35150 -1.0 2.0
   56    54    62    68   0.31550  1.0 3.0
   56    65    70    71   1.00000 -1.0 2.0
   56    65   -70    72  -0.33500  1.0 1.0
   56    65   -70    72   1.06600 -1.0 2.0
   56    65   -70    72  -0.14000  1.0 3.0
   65    56   -76    72  -2.26850  1.0 1.0
   65    56   -76    72   3.39050 -1.0 2.0
   65    70    72    73   0.65300  1.0 1.0
   65    70    72    73  -0.03850 -1.0 2.0
   65    70    72    73   0.33900  1.0 3.0
   65    70   -72    76   0.65300  1.0 1.0
   65    70   -72    76  -0.03850 -1.0 2.0
   65    70   -72    76   0.33900  1.0 3.0
   65    70    72    77   0.65300  1.0 1.0
   65    70    72    77  -0.03850 -1.0 2.0
   65    70    72    77   0.33900  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.04550  1.0 1.0
   66    65    70    72   0.83000 -1.0 2.0
   66    65    70    72  -0.04000  1.0 3.0
   70    72    73    74  -0.11250  1.0 3.0
   70    72    73    75  -0.11250  1.0 3.0
   70    72    73    81  -0.95700  1.0 1.0
   70    72    73    81  -0.18200 -1.0 2.0
   70    72    73    81   0.29450  1.0 3.0
   70    72   -76    56  -0.48150  1.0 1.0
   70    72   -76    56   0.09250 -1.0 2.0
   70    72   -76    56  -0.12850  1.0 3.0
   70    72    77    78  -0.11250  1.0 3.0
   70    72    77    79  -0.11250  1.0 3.0
   70    72    77    80  -0.11250  1.0 3.0
   71    70    72    73   0.30150 -1.0 2.0
   71    70    72    76   0.30150 -1.0 2.0
   71    70    72    77   0.30150 -1.0 2.0
   72    73    81    82   0.15000  1.0 3.0
   72    73    81    52   0.56750  1.0 1.0
   72    73    81    52  -0.07550 -1.0 2.0
   72    73    81    52   0.20000  1.0 3.0
   72    73    81    67   0.62750  1.0 1.0
   72    73    81    67  -0.30950 -1.0 2.0
   72    73    81    67   0.27300  1.0 3.0
   73    72    76    56  -0.46850  1.0 1.0
   73    72    76    56   0.09300 -1.0 2.0
   73    72    76    56  -0.12850  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.15000  1.0 3.0
   73    81    52    48   0.56750  1.0 1.0
   73    81    52    48  -0.07550 -1.0 2.0
   73    81    52    48   0.20000  1.0 3.0
   73    81    52    53   0.15000  1.0 3.0
   73    81    52    55   0.34400  1.0 1.0
   73    81    52    55   0.09450 -1.0 2.0
   73    81    52    55   0.11100  1.0 3.0
   73    81    67    57  -0.25900  1.0 1.0
   73    81    67    57  -0.47000 -1.0 2.0
   73    81    67    57   0.11750  1.0 3.0
   74    73    81    82   0.15000  1.0 3.0
   74    73    81    52   0.15000  1.0 3.0
   74    73    81    67   0.23400  1.0 3.0
   75    73    81    82   0.15000  1.0 3.0
   75    73    81    52   0.15000  1.0 3.0
   75    73    81    67   0.23400  1.0 3.0
   81    52   -55    57   0.09700  1.0 1.0
   81    52   -55    57   0.15600 -1.0 2.0
   81    52   -55    57  -0.50800  1.0 3.0
   81    52    55    59   0.09850  1.0 1.0
   81    52    55    59   0.15250 -1.0 2.0
   81    52    55    59  -0.50650  1.0 3.0
   82    81    52    48   0.15000  1.0 3.0
   82    81    52    53   0.15000  1.0 3.0
   82    81    52    55   0.15000  1.0 3.0
   82    81    67    57   0.08050  1.0 3.0
   52    48    50    51   0.00000  1.0 1.0
   52    48    50    54   0.09850  1.0 1.0
   52    48    50    54   0.15250 -1.0 2.0
   52    48    50    54  -0.50650  1.0 3.0
   52    81   -67    57  -0.25900  1.0 1.0
   52    81   -67    57  -0.47000 -1.0 2.0
   52    81   -67    57   0.11750  1.0 3.0
   52    55    57    58  -0.64400  1.0 1.0
   52    55    57    58   0.26850 -1.0 2.0
   52    55   -57    67  -0.15000  1.0 1.0
   52    55   -57    67   0.89550 -1.0 2.0
   52    55   -57    67  -0.06900  1.0 3.0
   52    55    59    60   7.00000 -1.0 2.0
   52    55    59    61   7.00000 -1.0 2.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.00000  1.0 1.0
   55    57   -67    81   2.00000 -1.0 2.0
   57    55    59    60   7.00000 -1.0 2.0
   57    55    59    61   7.00000 -1.0 2.0
   58    57    67    81   3.00000 -1.0 2.0
   67    81    52    48   0.62750  1.0 1.0
   67    81    52    48  -0.30950 -1.0 2.0
   67    81    52    48   0.27300  1.0 3.0
   67    81    52    53   0.23400  1.0 3.0
   67    81   -52    55   0.61850  1.0 1.0
   67    81   -52    55  -0.22750 -1.0 2.0
   67    81   -52    55   0.15300  1.0 3.0
   59    55    57    58   1.00000 -1.0 2.0
   59    55    57    67  -0.56150  1.0 1.0
   59    55    57    67   2.19150 -1.0 2.0
   76    56    65    66   7.00000 -1.0 2.0
   76    56   -65    70   7.00000 -1.0 2.0
   76    72    73    74   0.23400  1.0 3.0
   76    72    73    75   0.23400  1.0 3.0
   76    72    73    81   0.62750  1.0 1.0
   76    72    73    81  -0.30950 -1.0 2.0
   76    72    73    81   0.27300  1.0 3.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   0.23400  1.0 3.0
   77    72    73    74   0.15000  1.0 3.0
   77    72    73    75   0.15000  1.0 3.0
   77    72    73    81   0.56750  1.0 1.0
   77    72    73    81  -0.07550 -1.0 2.0
   77    72    73    81   0.20000  1.0 3.0
   77    72    76    56  -0.46850  1.0 1.0
   77    72    76    56   0.09300 -1.0 2.0
   77    72    76    56  -0.12850  1.0 3.0
   62    54    56    65  -0.18600  1.0 3.0
   62    54    56    76   1.08500 -1.0 2.0
   63    62    68    69   0.19450  1.0 3.0
   64    62    68    69   0.19450  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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    47    41    42  10.50000 -1.0 2.0
   48    51    50    54   1.10000 -1.0 2.0
   56    62    54    50   1.10000 -1.0 2.0
   54    76    56    65   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   65    72    70    71  10.50000 -1.0 2.0
   52    57    55    59   1.10000 -1.0 2.0
   55    67    57    58  10.50000 -1.0 2.0
   60    61    59    55   1.10000 -1.0 2.0
END
