* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    157    233     453
    1     0 S   NP   _N1_     1    28.80796    96.45677   -20.47395
    2     1 S   H    _HN1     2     1.02790    81.82264   -73.17585
    3     1 S   H    _H1_     3     1.02951    85.82417    35.92258
    4     1 S   H    _H2_     4     1.02850    41.49591   157.88404
    5     1 S   CT   _CA1     5     1.50097   152.15428   163.96350
    6     5 S   HC   _HA1     6     1.09592   105.24419    55.27124
    7     5 S   CO3  _C1_     7     1.53806   111.98596   -64.71180
    8     7 S   O2Z  _O11     8     1.26337   115.12296   -56.26307
    9     7 S   O2Z  _O12     9     1.26231   114.76816   122.66035
   10     5 S   CT   _CB1    10     1.53066   107.39448   172.77493
   11    10 S   HC   HB11    11     1.09825   109.31782   -52.40224
   12    10 S   HC   HB12    12     1.09821   110.50685    64.09187
   13    10 S   CT   _CG1    13     1.53015   112.60239  -173.53392
   14    13 S   HC   HG11    14     1.09594   110.33178   -61.29363
   15    13 S   HC   HG12    15     1.09626   110.16918    57.92558
   16    13 S   C    _CD1    16     1.51801   112.03541   178.14956
   17    16 S   O    _OE1    17     1.22739   123.15686    -9.23872
   18    16 S   N    _N2_    18     1.38590   111.77739   171.10877
   19    18 S   H    _HN2    19     1.01589   119.08468     1.59728
   20    18 S   CT1  _CA2    20     1.46305   123.31019  -177.50480
   21    20 S   HC   _HA2    21     1.09729   109.35876   -15.27739
   22    20 S   C    _C2_    22     1.53401   108.27116  -131.04839
   23    22 S   O    _O2_    23     1.23002   122.28950  -145.74959
   24    20 S   CT   _CB2    32     1.53505   111.30483   106.80055
   25    24 S   HC   HB21    33     1.09405   109.25955    55.84352
   26    24 S   HC   HB22    34     1.09499   110.50295   174.40742
   27    22 S   N    _N3_    24     1.38524   113.31058    41.58552
   28    27 S   H    _HN3    25     1.01533   118.89147    -0.63704
   29    24 S   S    _SG2    35     1.82925   111.57250   -65.99270
   30    27 S   CT   _CA3    26     1.45460   123.52625   175.19984
   31    30 S   HC   HA31    27     1.09515   109.34430    22.13712
   32    30 S   HC   HA32    28     1.09498   107.08913   139.15287
   33    29 S   CT   _C22    36     1.86119   100.59385   161.82661
   34    30 S   CO3  _C3_    29     1.52921   113.06354  -101.42116
   35    34 S   O2Z  _O31    30     1.26407   115.38462   -44.79470
   36    34 S   O2Z  _O32    31     1.26353   115.00121   136.14607
   37    33 S   CT   _C18    37     1.55191   107.53133   169.76505
   38    37 S   HC   _H48    38     1.09233   110.35636    51.16171
   39    37 S   HC   _H49    39     1.09611   108.17638   168.62354
   40    33 S   CT   _C19    70     1.56831   110.82185   -68.33706
   41    40 S   HC   _H50    71     1.09618   106.15709    84.89561
   42    40 S   HC   _H51    72     1.09816   107.51515  -164.36497
   43    33 S   OS   _O24    83     1.44461   108.07520    50.61869
   44    37 S   C    _C13    40     1.53295   116.95218   -71.05910
   45    44 S   O    _O23    41     1.23262   121.16413     6.34743
   46    40 S   CT   _C21    73     1.56458   121.85555   -39.30954
   47    46 S   HC   _H53    74     1.09685   108.22893    57.08829
   48    43 S   CT   _C16    84     1.42013   117.68346   178.83098
   49    48 S   HC   _H43    85     1.09390   107.69363  -178.57646
   50    48 S   HC   _H44    86     1.09261   111.48867    63.57072
   51    48 S   HC   _H45    87     1.09237   111.75606   -60.50693
   52    44 S   N    _N22    42     1.40765   116.10315  -173.62471
   53    46 S   CT   _C14    75     1.53772   111.33440   -60.27201
   54    53 S   HC   _H37    76     1.09483   111.62905   -47.27130
   55    53 S   HC   _H38    77     1.09293   110.67478    73.68291
   56    53 S   HC   _H39    78     1.09307   112.78712  -168.60987
   57    46 S   CT   _C23    79     1.56743   112.17098   173.44620
   58    57 S   Cl   CL27    80     1.79445   112.11736    64.13314
   59    57 S   Cl   CL28    81     1.80403   111.44730   -57.28028
   60    57 S   Cl   CL29    82     1.80341   111.30767  -174.84797
   61    52 S   CT   _C15    43     1.46496   117.74775   175.56566
   62    61 S   HC   _H40    44     1.09347   109.08092   110.08272
   63    61 S   HC   _H41    45     1.09316   111.82345    -9.43615
   64    61 S   HC   _H42    46     1.09315   109.60446  -129.35736
   65    52 S   CT   _C20    47     1.49151   124.28419    -0.90569
   66    65 S   HC   _H52    48     1.09307   108.54640   -18.61604
   67    65 S   CRA  _C12    49     1.51197   110.62026  -135.56279
   68    65 S   CT   _C17    56     1.54454   110.57926    98.81529
   69    68 S   HC   _H46    57     1.09866   109.79069   -43.51090
   70    68 S   HC   _H47    58     1.09767   111.23762    72.38152
   71    67 S   N5B  _N21    50     1.31793   124.91218   -87.50301
   72    68 S   CA   _C11    59     1.51148   112.85715  -163.75725
   73    71 S   C5B  _C9_    51     1.37985   109.64347  -179.84298
   74    73 S   HA   _H35    52     1.08181   119.18545   179.90109
   75    72 S   CA   _C7_    60     1.40246   120.34795    77.87444
   76    75 S   HA   _H33    61     1.08712   120.42085     0.87581
   77    73 S   C5A  _C10    53     1.37712   115.81189    -0.13417
   78    77 S   HA   _H36    54     1.08048   128.59776  -179.96044
   79    75 S   CA   _C5_    62     1.39542   120.47464  -179.04100
   80    79 S   HA   _H31    63     1.08630   119.95853   179.96044
   81    67 S   SA   _S26    55     1.72527   119.80098    92.44185
   82    79 S   CA   _C4_    64     1.39346   120.03579     0.02798
   83    82 S   HA   _H30    65     1.08619   120.02969   179.97202
   84    82 S   CA   _C6_    66     1.39373   119.95874    -0.00000
   85    84 S   HA   _H32    67     1.08631   119.97466   179.92598
   86    72 S   CA   _C8_    68     1.40103   120.63790  -101.10050
   87    86 S   HA   _H34    69     1.08726   120.44189    -0.74415
  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  11   5   4   3
  18   2   1   1  13   6   5  15   6   5   6  10   3   9   8   3
   2   1   1  13   7   3   2   1   3   2   1   1   7   3   2   1
  12   7  10  11   4   3   5   9   4   3   8   4   2   1   6   3
   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    42    46    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    52    40    41    42    46    47    53    57    43    48    49    50    51  
   35    36  
   36  
    0  
   38    39    44    45    52    61    65    40    41    42    46    43    48  
   39    44    45    52    40    43  
   44    45    52    40    43  
   41    42    46    47    53    54    55    56    57    58    59    60    43    48    44  
   42    46    47    53    57    43  
   46    47    53    57    43  
   48    49    50    51    44    46  
   45    52    61    62    63    64    65    66    67    68  
   52    61    65  
   47    53    54    55    56    57    58    59    60  
   53    54    55    56    57    58    59    60  
   49    50    51  
   50    51  
   51  
    0  
   61    62    63    64    65    66    67    71    81    68    69    70    72  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    71    73    77    81    68    69    70    72    75    86  
   67    71    81    68    69    70    72  
   71    73    74    77    78    81    68    69    70    72  
   69    70    72    75    76    79    84    86    87    71    81  
   70    72    75    86  
   72    75    86  
   73    74    77    78    81  
   75    76    79    80    82    84    85    86    87  
   74    77    78    81  
   77    78    81  
   76    79    80    82    83    84    86    87  
   79    80    82    86  
   78    81  
   81  
   80    82    83    84    85    86  
   82    83    84  
    0  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.198400   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   58   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   59   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   60   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   61   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.125000   2.4950   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.186200   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.098100   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    52   490.000  1.335
   52    61   337.000  1.449
   52    65   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   295.000  1.488
   65    68   268.000  1.529
   67    71   488.000  1.335
   67    81   250.000  1.765
   71    73   410.000  1.394
   73    74   367.000  1.080
   73    77   520.000  1.370
   77    78   367.000  1.080
   77    81   265.000  1.745
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.510
   72    75   469.000  1.400
   72    86   469.000  1.400
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   245.000  1.781
   57    59   245.000  1.781
   57    60   245.000  1.781
   43    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    58.35000  112.70000
   33    43    48    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    52    70.00000  116.60000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    52    61    50.00000  121.90000
   44    52    65    50.00000  121.90000
   52    44    45    80.00000  122.90000
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   52    61    64    35.00000  109.50000
   52    65    66    35.00000  109.50000
   52    65    67    75.00000  107.65000
   52    65    68    70.00000  110.72300
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    52    61    50.00000  118.00000
   65    67    71    65.00000  125.57700
   65    67    81    65.00000  125.49400
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    72    70.00000  112.17500
   67    65    66    45.00000  109.19200
   67    71    73    70.00000  110.00000
   67    81    77   120.00000   89.04400
   71    73    74    35.00000  120.00000
   71    73    77    70.00000  111.00000
   73    77    78    35.00000  130.70000
   73    77    81    80.00000  111.29200
   77    73    74    35.00000  128.20000
   81    67    71    80.00000  114.57700
   81    77    78    40.00000  122.38200
   68    65    66    37.50000  110.70000
   68    65    67    70.00000  112.56400
   68    72    75    70.00000  120.00000
   68    72    86    70.00000  120.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   72    75    76    35.00000  120.00000
   72    75    79    63.00000  120.00000
   72    86    84    63.00000  120.00000
   72    86    87    35.00000  120.00000
   75    79    80    35.00000  120.00000
   75    79    82    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    84    63.00000  120.00000
   82    79    80    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   86    72    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   40    33    37    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    53    58.35000  112.70000
   40    46    57    58.35000  112.70000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    69.00000  109.80000
   46    57    59    69.00000  109.80000
   46    57    60    69.00000  109.80000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   59    57    58    80.00000  110.42200
   60    57    58    80.00000  110.42200
   60    57    59    80.00000  110.42200
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    43    48   0.14700  1.0 1.0
   29    33    43    48  -1.16150 -1.0 2.0
   29    33    43    48   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    52   1.39750  1.0 1.0
   33    37    44    52  -0.07950 -1.0 2.0
   33    37    44    52  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    53   0.56750  1.0 1.0
   33    40    46    53  -0.07550 -1.0 2.0
   33    40    46    53   0.20000  1.0 3.0
   33    40    46    57   0.56750  1.0 1.0
   33    40    46    57  -0.07550 -1.0 2.0
   33    40    46    57   0.20000  1.0 3.0
   33    43    48    49   0.37050  1.0 3.0
   33    43    48    50   0.37050  1.0 3.0
   33    43    48    51   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    46   0.56750  1.0 1.0
   37    33    40    46  -0.07550 -1.0 2.0
   37    33    40    46   0.20000  1.0 3.0
   37    33    43    48   0.06250  1.0 1.0
   37    33    43    48  -0.01100 -1.0 2.0
   37    33    43    48   0.28050  1.0 3.0
   37    44    52    61   1.49850  1.0 1.0
   37    44    52    61   1.53950 -1.0 2.0
   37    44    52    65   1.49850  1.0 1.0
   37    44    52    65   1.53950 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    52   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    52   0.00000  1.0 1.0
   44    52    61    62   0.00000  1.0 1.0
   44    52    61    63   0.00000  1.0 1.0
   44    52    61    64   0.00000  1.0 1.0
   44    52    65    66   0.00000  1.0 1.0
   44    52    65    67  -0.69800  1.0 1.0
   44    52    65    67  -0.21350 -1.0 2.0
   44    52    65    68  -0.43950  1.0 1.0
   44    52    65    68  -0.08100 -1.0 2.0
   44    52    65    68   0.03350  1.0 3.0
   45    44    52    61   3.04450 -1.0 2.0
   45    44    52    65   3.04450 -1.0 2.0
   52    65    67    71   0.04300 -1.0 2.0
   52    65    67    81   0.04300 -1.0 2.0
   52    65    68    69   0.15000  1.0 3.0
   52    65    68    70   0.15000  1.0 3.0
   52    65    68    72   0.08550  1.0 1.0
   52    65    68    72   1.07500 -1.0 2.0
   52    65    68    72  -0.10950  1.0 3.0
   61    52    65    66   0.00000  1.0 1.0
   61    52    65    67   0.17850 -1.0 2.0
   61    52    65    68  -0.05900 -1.0 2.0
   65    52    61    62   0.00000  1.0 1.0
   65    52    61    63   0.00000  1.0 1.0
   65    52    61    64   0.00000  1.0 1.0
   65    67    71    73   3.62500 -1.0 2.0
   65    67    81    77   3.62500 -1.0 2.0
   65    68    72    75   0.04150 -1.0 2.0
   65    68    72    86   0.04150 -1.0 2.0
   66    65    67    71   0.00000  1.0 1.0
   66    65    67    81   0.00000  1.0 1.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    72   0.43200  1.0 3.0
   67    65    68    69   0.43200  1.0 3.0
   67    65    68    70   0.43200  1.0 3.0
   67    65    68    72  -0.94300  1.0 1.0
   67    65    68    72   1.32550 -1.0 2.0
   67    65    68    72  -0.07100  1.0 3.0
   67    71    73    74   2.40000 -1.0 2.0
   67    71   -73    77   2.40000 -1.0 2.0
   71    67   -81    77   3.62500 -1.0 2.0
   71    73    77    78   3.62500 -1.0 2.0
   71    73   -77    81   3.62500 -1.0 2.0
   73    77   -81    67   3.62500 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    81   3.62500 -1.0 2.0
   78    77    81    67   3.62500 -1.0 2.0
   81    67   -71    73   3.62500 -1.0 2.0
   68    65    67    71   0.29300  1.0 1.0
   68    65    67    71  -1.19700 -1.0 2.0
   68    65    67    71   0.60900  1.0 3.0
   68    65    67    81  -1.00500  1.0 1.0
   68    65    67    81  -0.91300 -1.0 2.0
   68    65    67    81   0.11400  1.0 3.0
   68    72    75    76   3.62500 -1.0 2.0
   68    72    75    79   3.62500 -1.0 2.0
   68    72    86    84   3.62500 -1.0 2.0
   68    72    86    87   3.62500 -1.0 2.0
   69    68    72    75   0.00000  1.0 1.0
   69    68    72    86   0.00000  1.0 1.0
   70    68    72    75   0.00000  1.0 1.0
   70    68    72    86   0.00000  1.0 1.0
   72    75    79    80   3.62500 -1.0 2.0
   72    75    79    82   3.62500 -1.0 2.0
   75    72    86    84   3.62500 -1.0 2.0
   75    72    86    87   3.62500 -1.0 2.0
   75    79    82    83   3.62500 -1.0 2.0
   75    79   -82    84   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    82   3.62500 -1.0 2.0
   79    82    84    85   3.62500 -1.0 2.0
   79    82    84    86   3.62500 -1.0 2.0
   80    79    82    83   3.62500 -1.0 2.0
   80    79    82    84   3.62500 -1.0 2.0
   82    84   -86    72   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   85    84    86    72   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    72    75    76   3.62500 -1.0 2.0
   86    72   -75    79   3.62500 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    43    48   0.06250  1.0 1.0
   40    33    43    48  -0.01100 -1.0 2.0
   40    33    43    48   0.28050  1.0 3.0
   40    46    53    54   0.15000  1.0 3.0
   40    46    53    55   0.15000  1.0 3.0
   40    46    53    56   0.15000  1.0 3.0
   40    46    57    58   0.35600  1.0 1.0
   40    46    57    58  -0.14650 -1.0 2.0
   40    46    57    58   0.33350  1.0 3.0
   40    46    57    59   0.35600  1.0 1.0
   40    46    57    59  -0.14650 -1.0 2.0
   40    46    57    59   0.33350  1.0 3.0
   40    46    57    60   0.35600  1.0 1.0
   40    46    57    60  -0.14650 -1.0 2.0
   40    46    57    60   0.33350  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    53   0.15000  1.0 3.0
   41    40    46    57   0.15000  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    53   0.15000  1.0 3.0
   42    40    46    57   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.27000  1.0 3.0
   47    46    57    59   0.27000  1.0 3.0
   47    46    57    60   0.27000  1.0 3.0
   53    46    57    58   0.35600  1.0 1.0
   53    46    57    58  -0.14650 -1.0 2.0
   53    46    57    58   0.33350  1.0 3.0
   53    46    57    59   0.35600  1.0 1.0
   53    46    57    59  -0.14650 -1.0 2.0
   53    46    57    59   0.33350  1.0 3.0
   53    46    57    60   0.35600  1.0 1.0
   53    46    57    60  -0.14650 -1.0 2.0
   53    46    57    60   0.33350  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    41   0.23400  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
   43    33    40    46   0.62750  1.0 1.0
   43    33    40    46  -0.30950 -1.0 2.0
   43    33    40    46   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   37    52    44    45  10.50000 -1.0 2.0
   65    44    52    61   1.00000 -1.0 2.0
   71    81    67    65   4.00000 -1.0 2.0
   77    74    73    71   1.10000 -1.0 2.0
   81    78    77    73   1.10000 -1.0 2.0
   75    86    72    68   4.00000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   82    80    79    75   1.10000 -1.0 2.0
   84    83    82    79   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    87    86    72   1.10000 -1.0 2.0
END
