* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    239     467
    1     0 S   NP   _N1_     1    29.42227    93.43833   -25.41341
    2     1 S   H    _HN1     2     1.02767   113.83787   -80.65898
    3     1 S   H    _H1_     3     1.03210    87.13384    27.59281
    4     1 S   H    _H2_     4     1.02803    19.91611  -157.30086
    5     1 S   CT   _CA1     5     1.50094   121.50782   140.18043
    6     5 S   HC   _HA1     6     1.09573   105.24340    79.45602
    7     5 S   CO3  _C1_     7     1.53813   112.33823   -40.71174
    8     7 S   O2Z  _O11     8     1.26338   115.12332   -46.51693
    9     7 S   O2Z  _O12     9     1.26261   114.87803   132.65722
   10     5 S   CT   _CB1    10     1.53051   107.40801  -162.72628
   11    10 S   HC   HB11    11     1.09805   109.43543   -50.77377
   12    10 S   HC   HB12    12     1.09621   110.17173    65.84851
   13    10 S   CT   _CG1    13     1.52939   112.94423  -172.51344
   14    13 S   HC   HG11    14     1.09591   110.17893   -61.63921
   15    13 S   HC   HG12    15     1.09620   110.27639    57.51661
   16    13 S   C    _CD1    16     1.51869   112.02543   177.50503
   17    16 S   O    _OE1    17     1.22730   123.21835   -17.20898
   18    16 S   N    _N2_    18     1.38527   111.85371   164.11839
   19    18 S   H    _HN2    19     1.01584   119.05485     1.44794
   20    18 S   CT1  _CA2    20     1.46109   123.36449  -179.90109
   21    20 S   HC   _HA2    21     1.09610   109.37553    -7.20536
   22    20 S   C    _C2_    22     1.53394   108.48370  -122.42227
   23    22 S   O    _O2_    23     1.23036   122.38184  -147.44549
   24    20 S   CT   _CB2    32     1.53262   111.33190   115.19620
   25    24 S   HC   HB21    33     1.09647   109.74515    55.92831
   26    24 S   HC   HB22    34     1.09546   111.32136   173.60671
   27    22 S   N    _N3_    24     1.38373   113.50666    40.21447
   28    27 S   H    _HN3    25     1.01642   119.52593    -3.86802
   29    24 S   S    _SG2    35     1.82827   113.79712   -63.87203
   30    27 S   CT   _CA3    26     1.45291   123.05885   176.78953
   31    30 S   HC   HA31    27     1.09555   107.59105   -62.03413
   32    30 S   HC   HA32    28     1.09560   107.86095    54.34654
   33    29 S   CT   _C21    36     1.82474    99.44184   -72.90291
   34    33 S   HC   _H3_    37     1.09385   109.00059    69.92500
   35    33 S   HC   _H4_    38     1.09455   109.36986   -45.82988
   36    30 S   CO3  _C3_    29     1.52918   114.18372   176.29673
   37    36 S   O2Z  _O31    30     1.26355   116.05733    -0.22029
   38    36 S   O2Z  _O32    31     1.26431   114.40565   179.80923
   39    33 S   CM   _C11    39     1.52186   110.48179  -167.14491
   40    39 S   CMA  _C12    40     1.36757   122.71729   -92.31306
   41    40 S   OM   _O21    41     1.26877   125.33969  -178.70336
   42    39 S   CT   _C23    80     1.53259   115.39726    91.08222
   43    42 S   HC   _H51    81     1.09559   111.73327  -163.36260
   44    40 S   OS   _O27    42     1.42065   111.65222     2.91886
   45    42 S   CT   _C22    82     1.53065   111.82385    74.42138
   46    45 S   HC   _H49    83     1.09476   111.55134   -75.13381
   47    45 S   HC   _H50    84     1.09493   111.30445    47.41368
   48    42 S   OH   _O26    87     1.43066   110.63173   -46.65022
   49    48 S   HO   _H54    88     0.97298   107.01407   -51.55591
   50    44 S   CT   _C18    43     1.45385   116.27821  -137.91951
   51    50 S   HC   _H41    44     1.09594   110.76989   -36.89926
   52    45 S   OH   _O25    85     1.42660   109.30628   166.22769
   53    52 S   HO   _H53    86     0.97212   106.92218  -179.79064
   54    50 S   CT   _C14    45     1.56120   104.31196    82.69920
   55    54 S   HC   _H35    46     1.09903   107.68039    65.03957
   56    54 S   HC   _H36    47     1.09840   109.30852   -47.34240
   57    50 S   CT   _C17    62     1.56412   106.57853  -153.96522
   58    57 S   HC   _H40    63     1.09878   107.99047   -65.47945
   59    54 S   CM   _C6_    48     1.51094   117.78512  -168.65557
   60    57 S   CM   _C8_    64     1.50974   117.86008    54.07401
   61    59 S   CM   _C4_    49     1.35036   119.31832  -121.57602
   62    61 S   HC   _H29    50     1.08984   118.42744    -4.92203
   63    60 S   CO4  _C9_    65     1.48038   108.06750   156.79836
   64    63 S   O    _O22    66     1.21784   127.43304   161.96391
   65    60 S   CM   _C10    68     1.33656   133.35288   -20.86246
   66    65 S   HC   _H31    69     1.08172   122.64051    -1.37572
   67    65 S   HC   _H32    70     1.08608   121.52823   178.86495
   68    59 S   CT   _C19    76     1.50341   115.55563    55.82863
   69    68 S   HC   _H42    77     1.09356   111.00037   -70.43349
   70    68 S   HC   _H43    78     1.09238   113.04585   167.97556
   71    68 S   HC   _H44    79     1.09558   109.87789    49.22420
   72    61 S   CT   _C13    51     1.50977   126.42577   161.23750
   73    72 S   HC   _H33    52     1.09374   112.18295    27.49363
   74    72 S   HC   _H34    53     1.09605   109.06500   144.97084
   75    85 S   OS   _O23    67     1.43865   106.69657   107.24503
   76    72 S   CT   _C15    54     1.55006   109.91794   -94.93148
   77    76 S   HC   _H37    55     1.09835   109.33789   -69.23991
   78    76 S   HC   _H38    56     1.09586   109.79474   175.05605
   79    76 S   CM   _C7_    57     1.52414   110.83086    52.24225
   80    79 S   CM   _C5_    58     1.35144   118.09830   -85.34017
   81    80 S   HC   _H30    59     1.09004   117.94413   -11.08386
   82    79 S   CT   _C20    71     1.50395   116.09970    86.57637
   83    82 S   HC   _H45    72     1.09417   110.60194   -55.51032
   84    82 S   HC   _H46    73     1.09219   112.90136  -177.18798
   85    80 S   CT   _C16    60     1.49744   127.09482   158.65922
   86    85 S   HC   _H39    61     1.09645   111.55020   -10.17577
   87    82 S   OH   _O24    74     1.42318   109.02108    63.68705
   88    87 S   HO   _H52    75     0.97222   106.98784  -179.46041
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12  10   3   9   6  10   6   4   3   2
   1  16   8   1   1  14   5   4  14   7  10   9  12   5   8   3
   4   1   1   4   2   1   1   8   5   4   5  10   4   3   9   7
   3   5   3   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    42    43    45    48  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    44    50    42    43    45    46    47    52    48    49  
   41    44    50    51    54    57    42    43    45    48  
   44    50    42  
   43    45    46    47    52    53    48    49    44  
   45    46    47    52    48    49  
   50    51    54    55    56    59    85    57    58    60  
   46    47    52    53    48    49  
   47    52    53    48  
   52    53    48  
   49    52  
    0  
   51    54    55    56    59    61    80    85    86    57    58    60    63    75    65    68  
   54    55    56    59    85    57    58    60  
   53  
    0  
   55    56    59    61    62    72    85    57    58    60    68    69    70    71  
   56    59    61    57    68  
   59    61    57    68  
   58    60    63    64    75    65    66    67    59    79    80    81    85    86  
   60    63    75    65    80    85    86  
   61    62    72    73    74    76    68    69    70    71  
   63    64    75    65    66    67    80    85    86  
   62    72    73    74    76    77    78    79    68    69    70    71  
   72    73    74    76    68  
   64    75    65    66    67    80    85    86  
   75    65    85  
   66    67    75    85  
   67  
    0  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    76    77    78    79    80    82  
   74    76    77    78    79  
   76    77    78    79  
   79    80    81    85    86  
   77    78    79    80    81    85    82    83    84    87  
   78    79    80    82  
   79    80    82  
   80    81    85    86    82    83    84    87    88  
   81    85    86    82    83    84    87  
   85    86    82  
   83    84    87    88    85  
   84    87    88  
   87    88  
   86  
    0  
   88  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    61   549.000  1.340
   59    68   317.000  1.510
   61    62   340.000  1.080
   61    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.510
   79    80   549.000  1.340
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    85   317.000  1.510
   85    86   340.000  1.090
   85    57   268.000  1.529
   85    75   320.000  1.410
   57    58   340.000  1.090
   57    60   317.000  1.510
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    75   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   320.000  1.410
   87    88   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   320.000  1.410
   52    53   553.000  0.945
   48    49   553.000  0.945
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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    44    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    45    70.00000  112.02700
   39    42    48    90.00000  110.39200
   40    44    50    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    50    51    35.00000  109.50000
   44    50    54    50.00000  109.50000
   44    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    59    70.00000  112.02700
   50    57    85    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    60    70.00000  112.02700
   54    50    51    37.50000  110.70000
   54    59    61    70.00000  124.00000
   54    59    68    65.00000  117.92700
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    72    70.00000  124.00000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   61    72    76    70.00000  112.02700
   72    61    62    35.00000  117.00000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    70.00000  112.02700
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    79    80    70.00000  124.00000
   76    79    82    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81    35.00000  120.00000
   79    80    85    70.00000  124.00000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    87    90.00000  110.39200
   80    85    86    35.00000  109.50000
   80    85    57    70.00000  112.02700
   80    85    75    85.00000  110.90400
   85    80    81    35.00000  117.00000
   85    57    58    37.50000  110.70000
   85    57    60    70.00000  112.02700
   85    75    63    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    85    86    37.50000  110.70000
   57    60    63    65.00000  116.34900
   57    60    65    70.00000  124.00000
   60    57    58    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    75    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   75    85    86    35.00000  109.50000
   75    85    57    50.00000  109.50000
   75    63    64    83.00000  123.40000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   82    79    80    70.00000  124.00000
   82    87    88    55.00000  108.50000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   68    59    61    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   42    39    40    70.00000  124.00000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    52    50.00000  109.50000
   42    48    49    55.00000  108.50000
   45    42    43    37.50000  110.70000
   45    52    53    55.00000  108.50000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   48    42    43    35.00000  109.50000
   48    42    45    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    44   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    45   0.46850  1.0 1.0
   33    39    42    45   0.08550 -1.0 2.0
   33    39    42    45   0.09800  1.0 3.0
   33    39    42    48   0.18000  1.0 1.0
   33    39    42    48   0.16450 -1.0 2.0
   33    39    42    48   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    44    50  -2.26850  1.0 1.0
   39    40    44    50   3.39050 -1.0 2.0
   39    42    45    46   0.15000  1.0 3.0
   39    42    45    47   0.15000  1.0 3.0
   39    42    45    52   1.05650  1.0 1.0
   39    42    45    52   0.15600 -1.0 2.0
   39    42    45    52   0.53150  1.0 3.0
   39    42    48    49  -0.07800  1.0 1.0
   39    42    48    49  -0.21500 -1.0 2.0
   39    42    48    49  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    45   0.09850  1.0 1.0
   40    39    42    45   0.15250 -1.0 2.0
   40    39    42    45  -0.50650  1.0 3.0
   40    39    42    48   0.67800  1.0 1.0
   40    39    42    48   0.47050 -1.0 2.0
   40    39    42    48  -0.62500  1.0 3.0
   40    44    50    51   0.08050  1.0 3.0
   40    44    50    54  -0.46850  1.0 1.0
   40    44    50    54   0.09300 -1.0 2.0
   40    44    50    54  -0.12850  1.0 3.0
   40    44    50    57  -0.46850  1.0 1.0
   40    44    50    57   0.09300 -1.0 2.0
   40    44    50    57  -0.12850  1.0 3.0
   41    40    44    50   2.00000 -1.0 2.0
   44    50    54    55   0.23400  1.0 3.0
   44    50    54    56   0.23400  1.0 3.0
   44    50    54    59   0.61850  1.0 1.0
   44    50    54    59  -0.22750 -1.0 2.0
   44    50    54    59   0.15300  1.0 3.0
   44    50    57    85   0.62750  1.0 1.0
   44    50    57    85  -0.30950 -1.0 2.0
   44    50    57    85   0.27300  1.0 3.0
   44    50    57    58   0.23400  1.0 3.0
   44    50    57    60   0.61850  1.0 1.0
   44    50    57    60  -0.22750 -1.0 2.0
   44    50    57    60   0.15300  1.0 3.0
   50    54    59    61   0.09850  1.0 1.0
   50    54    59    61   0.15250 -1.0 2.0
   50    54    59    61  -0.50650  1.0 3.0
   50    54    59    68   0.46850  1.0 1.0
   50    54    59    68   0.08550 -1.0 2.0
   50    54    59    68   0.09800  1.0 3.0
   50    57    60    63   0.09700  1.0 1.0
   50    57    60    63   0.15600 -1.0 2.0
   50    57    60    63  -0.50800  1.0 3.0
   50    57    60    65   0.09850  1.0 1.0
   50    57    60    65   0.15250 -1.0 2.0
   50    57    60    65  -0.50650  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    59   0.15000  1.0 3.0
   51    50    57    85   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   54    50    57    85   0.56750  1.0 1.0
   54    50    57    85  -0.07550 -1.0 2.0
   54    50    57    85   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    60   0.34400  1.0 1.0
   54    50    57    60   0.09450 -1.0 2.0
   54    50    57    60   0.11100  1.0 3.0
   54    59    61    62   7.00000 -1.0 2.0
   54    59    61    72   7.00000 -1.0 2.0
   54    59    68    69   0.34800  1.0 3.0
   54    59    68    70   0.34800  1.0 3.0
   54    59    68    71   0.34800  1.0 3.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    68   0.34800  1.0 3.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    68   0.34800  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   59    61    72    76   0.09850  1.0 1.0
   59    61    72    76   0.15250 -1.0 2.0
   59    61    72    76  -0.50650  1.0 3.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    70   0.00000  1.0 1.0
   61    59    68    71   0.00000  1.0 1.0
   61    72    76    77   0.15000  1.0 3.0
   61    72    76    78   0.15000  1.0 3.0
   61    72    76    79   0.31000  1.0 1.0
   61    72    76    79   0.14700 -1.0 2.0
   61    72    76    79   0.07550  1.0 3.0
   62    61    72    73   0.33100  1.0 3.0
   62    61    72    74   0.33100  1.0 3.0
   62    61    72    76   0.00000  1.0 1.0
   72    76    79    80   0.09850  1.0 1.0
   72    76    79    80   0.15250 -1.0 2.0
   72    76    79    80  -0.50650  1.0 3.0
   72    76    79    82   0.46850  1.0 1.0
   72    76    79    82   0.08550 -1.0 2.0
   72    76    79    82   0.09800  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   76    79    80    81   7.00000 -1.0 2.0
   76    79    80    85   7.00000 -1.0 2.0
   76    79    82    83   0.34800  1.0 3.0
   76    79    82    84   0.34800  1.0 3.0
   76    79    82    87   0.18000  1.0 1.0
   76    79    82    87   0.16450 -1.0 2.0
   76    79    82    87   0.04450  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    82   0.34800  1.0 3.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    82   0.34800  1.0 3.0
   79    80    85    86   0.00000  1.0 1.0
   79    80    85    57   0.09850  1.0 1.0
   79    80    85    57   0.15250 -1.0 2.0
   79    80    85    57  -0.50650  1.0 3.0
   79    80    85    75   0.39000  1.0 1.0
   79    80    85    75  -0.05800 -1.0 2.0
   79    80    85    75  -0.55150  1.0 3.0
   79    82    87    88  -0.07800  1.0 1.0
   79    82    87    88  -0.21500 -1.0 2.0
   79    82    87    88  -0.03150  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    87   0.67800  1.0 1.0
   80    79    82    87   0.47050 -1.0 2.0
   80    79    82    87  -0.62500  1.0 3.0
   80    85    57    50   0.34400  1.0 1.0
   80    85    57    50   0.09450 -1.0 2.0
   80    85    57    50   0.11100  1.0 3.0
   80    85    57    58   0.15000  1.0 3.0
   80    85    57    60   0.31000  1.0 1.0
   80    85    57    60   0.14700 -1.0 2.0
   80    85    57    60   0.07550  1.0 3.0
   80    85    75    63  -0.82050  1.0 1.0
   80    85    75    63   0.00600 -1.0 2.0
   80    85    75    63   0.04400  1.0 3.0
   81    80    85    86   0.33100  1.0 3.0
   81    80    85    57   0.00000  1.0 1.0
   81    80    85    75   0.00000  1.0 1.0
   85    57   -60    63   0.09700  1.0 1.0
   85    57   -60    63   0.15600 -1.0 2.0
   85    57   -60    63  -0.50800  1.0 3.0
   85    57    60    65   0.09850  1.0 1.0
   85    57    60    65   0.15250 -1.0 2.0
   85    57    60    65  -0.50650  1.0 3.0
   86    85    57    50   0.15000  1.0 3.0
   86    85    57    58   0.15000  1.0 3.0
   86    85    57    60   0.15000  1.0 3.0
   86    85    75    63   0.08050  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    59   0.34400  1.0 1.0
   57    50    54    59   0.09450 -1.0 2.0
   57    50    54    59   0.11100  1.0 3.0
   57    85   -75    63  -0.25900  1.0 1.0
   57    85   -75    63  -0.47000 -1.0 2.0
   57    85   -75    63   0.11750  1.0 3.0
   57    60    63    64  -0.64400  1.0 1.0
   57    60    63    64   0.26850 -1.0 2.0
   57    60   -63    75  -0.15000  1.0 1.0
   57    60   -63    75   0.89550 -1.0 2.0
   57    60   -63    75  -0.06900  1.0 3.0
   57    60    65    66   7.00000 -1.0 2.0
   57    60    65    67   7.00000 -1.0 2.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    60    65   0.00000  1.0 1.0
   60    63   -75    85   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   64    63    75    85   3.00000 -1.0 2.0
   75    85    57    50   0.62750  1.0 1.0
   75    85    57    50  -0.30950 -1.0 2.0
   75    85    57    50   0.27300  1.0 3.0
   75    85    57    58   0.23400  1.0 3.0
   75    85   -57    60   0.61850  1.0 1.0
   75    85   -57    60  -0.22750 -1.0 2.0
   75    85   -57    60   0.15300  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    75  -0.56150  1.0 1.0
   65    60    63    75   2.19150 -1.0 2.0
   82    79    80    81   7.00000 -1.0 2.0
   82    79    80    85   7.00000 -1.0 2.0
   83    82    87    88   0.19450  1.0 3.0
   84    82    87    88   0.19450  1.0 3.0
   68    59    61    62   7.00000 -1.0 2.0
   68    59    61    72   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    44   7.00000 -1.0 2.0
   42    45    52    53  -0.11600  1.0 1.0
   42    45    52    53  -0.09450 -1.0 2.0
   42    45    52    53   0.21250  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    52   0.23400  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   45    42    48    49  -0.11600  1.0 1.0
   45    42    48    49  -0.09450 -1.0 2.0
   45    42    48    49   0.21250  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   47    45    52    53   0.19450  1.0 3.0
   48    42    45    46   0.23400  1.0 3.0
   48    42    45    47   0.23400  1.0 3.0
   48    42    45    52   3.75450  1.0 1.0
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
   33    42    39    40  15.00000 -1.0 2.0
   41    44    40    39  15.00000 -1.0 2.0
   54    68    59    61   1.10000 -1.0 2.0
   72    62    61    59   1.10000 -1.0 2.0
   76    82    79    80   1.10000 -1.0 2.0
   85    81    80    79   1.10000 -1.0 2.0
   57    63    60    65   1.10000 -1.0 2.0
   60    75    63    64  10.50000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
END
