* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     457
    1     0 S   NP   _N1_     1    28.84604    97.34307   -21.76010
    2     1 S   H    _HN1     2     1.02956    78.59745    48.07943
    3     1 S   H    _H1_     3     1.02842    46.60647   175.25942
    4     1 S   H    _H2_     4     1.02786    83.14369   -62.17052
    5     1 S   CT   _CA1     5     1.50108   157.05852   164.15348
    6     5 S   HC   _HA1     6     1.09588   105.22831    67.96248
    7     5 S   CO3  _C1_     7     1.53757   112.17546   -52.09580
    8     7 S   O2Z  _O11     8     1.26345   115.10327   -51.10460
    9     7 S   O2Z  _O12     9     1.26236   114.86422   128.01573
   10     5 S   CT   _CB1    10     1.53095   107.39655  -174.42061
   11    10 S   HC   HB11    11     1.09824   109.21750   -52.39269
   12    10 S   HC   HB12    12     1.09818   110.50511    64.08403
   13    10 S   CT   _CG1    13     1.53025   112.68732  -173.55691
   14    13 S   HC   HG11    14     1.09617   110.35309   -63.75267
   15    13 S   HC   HG12    15     1.09645   110.07078    55.44456
   16    13 S   C    _CD1    16     1.51860   112.22168   175.64284
   17    16 S   O    _OE1    17     1.22732   123.22033    -5.83035
   18    16 S   N    _N2_    18     1.38610   111.70800   174.60918
   19    18 S   H    _HN2    19     1.01598   119.01785     0.84372
   20    18 S   CT1  _CA2    20     1.46304   123.41457  -179.49332
   21    20 S   HC   _HA2    21     1.09733   109.40201   -11.63147
   22    20 S   C    _C2_    22     1.53454   108.35220  -127.28126
   23    22 S   O    _O2_    23     1.23016   122.21278  -146.45000
   24    20 S   CT   _CB2    32     1.53524   111.31832   110.52690
   25    24 S   HC   HB21    33     1.09333   109.20083    55.38952
   26    24 S   HC   HB22    34     1.09497   110.36164   173.85883
   27    22 S   N    _N3_    24     1.38498   113.39009    40.94541
   28    27 S   H    _HN3    25     1.01528   118.90061    -0.81733
   29    24 S   S    _SG2    35     1.83002   111.33915   -66.98913
   30    27 S   CT   _CA3    26     1.45463   123.59577   175.18253
   31    30 S   HC   HA31    27     1.09511   109.41808    20.61298
   32    30 S   HC   HA32    28     1.09501   107.07488   137.64630
   33    29 S   CT   _C24    36     1.85851   102.21929   158.01982
   34    30 S   CO3  _C3_    29     1.52914   113.00053  -102.99140
   35    34 S   O2Z  _O31    30     1.26410   115.36470   -45.14519
   36    34 S   O2Z  _O32    31     1.26347   115.00802   135.75973
   37    33 S   CT   _C20    37     1.53411   110.21158    53.02966
   38    37 S   HC   _H45    38     1.09499   112.10705   -69.86134
   39    37 S   HC   _H46    39     1.09632   111.65398    51.66842
   40    37 S   HC   _H47    40     1.09581   111.06788   170.67338
   41    33 S   CT   _C21    41     1.53906   105.37028   170.71901
   42    41 S   HC   _H48    42     1.09659   111.76389    63.25176
   43    41 S   HC   _H49    43     1.09688   111.75335   -58.02100
   44    41 S   HC   _H50    44     1.09604   111.22310  -176.93823
   45    33 S   CT   _C22    45     1.54040   108.42386   -70.35620
   46    45 S   HC   _H51    46     1.09887   110.79425   -49.11873
   47    45 S   HC   _H52    47     1.09603   112.11300    68.54605
   48    45 S   CO4  _C14    48     1.51281   113.88896  -171.07245
   49    48 S   O    _O24    49     1.22253   123.94471   -76.98279
   50    48 S   OS   _O28    50     1.36099   109.46860   103.31934
   51    50 S   CT   _C23    51     1.45353   121.90843   178.46532
   52    51 S   CT   _C16    52     1.55316   112.15046   -57.20568
   53    52 S   HC   _H35    53     1.10045   108.51942    81.27740
   54    51 S   CT   _C18    79     1.54035   109.59172    66.11899
   55    54 S   HC   _H39    80     1.09610   110.78658    51.11310
   56    54 S   HC   _H40    81     1.09450   111.78276   -67.27556
   57    54 S   HC   _H41    82     1.09520   111.57184   172.12982
   58    51 S   CT   _C19    83     1.54108   105.19504  -179.50901
   59    58 S   HC   _H42    84     1.09701   110.38568   -56.51405
   60    58 S   HC   _H43    85     1.09295   112.15429    60.93696
   61    58 S   HC   _H44    86     1.09472   112.23488  -176.87607
   62    52 S   CT   _C15    54     1.55232   117.97878   -39.91301
   63    62 S   HC   _H34    55     1.09549   110.24168    97.64462
   64    62 S   CA   _C7_    56     1.48311    99.11662  -144.79714
   65    62 S   OS   _O27    72     1.43034   113.25730   -30.33227
   66    64 S   CA   _C8_    57     1.38367   110.02120    12.41119
   67    65 S   CO4  _C13    73     1.36265   117.47096   127.32474
   68    67 S   O    _O23    74     1.22328   126.63142     0.61960
   69    66 S   CA   _C5_    58     1.38324   122.03962   177.54329
   70    69 S   HA   _H31    59     1.08462   121.13273  -179.54458
   71    52 S   OS   _O26    71     1.45893   109.74241  -165.17739
   72    67 S   CT   _C17    75     1.49765   109.50808  -178.94390
   73    72 S   HC   _H36    76     1.09262   109.89852   -63.25924
   74    72 S   HC   _H37    77     1.09322   109.09373   177.56169
   75    72 S   HC   _H38    78     1.09298   109.87704    58.84002
   76    69 S   CA   _C4_    60     1.39900   118.19754     0.64680
   77    76 S   HA   _H30    61     1.08763   118.99641   179.77883
   78    76 S   CA   _C6_    62     1.40586   120.50109    -0.37378
   79    64 S   CA   _C9_    63     1.38225   130.21930  -169.89540
   80    79 S   OS   _O25    64     1.40431   118.85965     2.13047
   81    80 S   CO4  _C12    65     1.39025   121.30426  -179.93744
   82    81 S   O    _O22    66     1.22605   122.06248  -179.91607
   83    81 S   CM   _C11    67     1.47480   116.90162     0.02798
   84    83 S   HC   _H33    68     1.08434   117.06515  -179.93744
   85    78 S   CM   _C10    69     1.45371   121.96145  -179.77358
   86    85 S   HC   _H32    70     1.08439   119.09825    -0.48698
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12
   9   8   5   4   7   4   2   3   2   1   1   7   3   7   6   5
   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    54    58  
   50    51  
   51    52    53    62    71    54    55    56    57    58    59    60    61  
   52    53    62    63    64    66    71    65    54    55    56    57    58    59    60    61  
   53    62    63    64    66    69    79    71    65    67    54    55    56    57    58    59    60    61  
   62    63    64    66    71    65    54    58  
   55    56    57    58    59    60    61    62    71  
   56    57    58  
   57    58  
   58  
   59    60    61    62    71  
   60    61  
   61  
    0  
   63    64    66    69    78    79    80    71    65    67    68    72  
   64    66    79    71    65    67  
   66    69    70    76    78    79    80    81    85    71    65    67  
   67    68    72    73    74    75    66    71    79  
   69    70    76    77    78    79    80    71  
   68    72    73    74    75  
   72    73    74    75  
   70    76    77    78    79    85    71  
   76    77    78    71  
   76    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    83    85    86  
   78    79    85  
   79    80    81    83    84    85    86  
   80    81    82    83    85    86  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    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   0.167500   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    71   320.000  1.410
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   320.000  1.410
   64    66   469.000  1.400
   64    79   469.000  1.400
   66    69   469.000  1.400
   66    71   450.000  1.364
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    85   320.000  1.460
   79    80   450.000  1.364
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    50.00000  109.50000
   50    51    54    50.00000  109.50000
   50    51    58    50.00000  109.50000
   51    52    53    37.50000  110.70000
   51    52    62    58.35000  112.70000
   51    52    71    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    70.00000  112.17500
   52    62    65    50.00000  109.50000
   52    71    66    75.00000  111.00000
   62    52    53    37.50000  110.70000
   62    64    66    70.00000  120.00000
   62    64    79    70.00000  120.00000
   62    65    67    83.00000  116.90000
   64    62    63    35.00000  109.50000
   64    66    69    63.00000  120.00000
   64    66    71    70.00000  120.00000
   64    79    78    63.00000  120.00000
   64    79    80    70.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    76    63.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    78    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    85    60.00000  120.93500
   78    76    77    35.00000  120.00000
   78    79    80    70.00000  120.00000
   78    85    83    60.00000  123.20500
   78    85    86    40.00000  117.26300
   79    64    66    63.00000  120.00000
   79    80    81    85.00000  115.98000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    40.00000  117.72500
   81    83    85    65.00000  118.96000
   83    81    82    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    78    79    60.00000  120.93500
   85    83    84    35.00000  120.00000
   71    52    53    35.00000  109.50000
   71    52    62    50.00000  109.50000
   71    66    69    70.00000  120.00000
   65    62    63    35.00000  109.50000
   65    62    64    85.00000  111.85700
   65    67    68    83.00000  123.40000
   65    67    72    81.00000  111.40000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   72    67    68    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52  -0.25900  1.0 1.0
   48    50    51    52  -0.47000 -1.0 2.0
   48    50    51    52   0.11750  1.0 3.0
   48    50    51    54  -0.25900  1.0 1.0
   48    50    51    54  -0.47000 -1.0 2.0
   48    50    51    54   0.11750  1.0 3.0
   48    50    51    58  -0.25900  1.0 1.0
   48    50    51    58  -0.47000 -1.0 2.0
   48    50    51    58   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    52    53   0.23400  1.0 3.0
   50    51    52    62   0.62750  1.0 1.0
   50    51    52    62  -0.30950 -1.0 2.0
   50    51    52    62   0.27300  1.0 3.0
   50    51    52    71   1.11900  1.0 1.0
   50    51    52    71  -1.16350 -1.0 2.0
   50    51    52    71  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    57   0.23400  1.0 3.0
   50    51    58    59   0.23400  1.0 3.0
   50    51    58    60   0.23400  1.0 3.0
   50    51    58    61   0.23400  1.0 3.0
   51    52    62    63   0.15000  1.0 3.0
   51    52    62    64  -0.03700  1.0 1.0
   51    52    62    64   0.37200 -1.0 2.0
   51    52    62    64  -0.47300  1.0 3.0
   51    52    62    65   0.62750  1.0 1.0
   51    52    62    65  -0.30950 -1.0 2.0
   51    52    62    65   0.27300  1.0 3.0
   51    52    71    66  -0.32850  1.0 1.0
   51    52    71    66  -0.35800 -1.0 2.0
   51    52    71    66   0.33950  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62   -64    66   0.04150 -1.0 2.0
   52    62    64    79   0.04150 -1.0 2.0
   52    62    65    67  -0.25900  1.0 1.0
   52    62    65    67  -0.47000 -1.0 2.0
   52    62    65    67   0.11750  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.43200  1.0 3.0
   53    52    62    65   0.23400  1.0 3.0
   53    52    71    66   0.08050  1.0 3.0
   62    52   -71    66  -0.32850  1.0 1.0
   62    52   -71    66  -0.35800 -1.0 2.0
   62    52   -71    66   0.33950  1.0 3.0
   62    64    66    69   3.62500 -1.0 2.0
   62    64   -66    71   3.62500 -1.0 2.0
   62    64    79    78   3.62500 -1.0 2.0
   62    64    79    80   3.62500 -1.0 2.0
   62    65    67    68   3.00000 -1.0 2.0
   62    65    67    72   1.63150  1.0 1.0
   62    65    67    72   2.92000 -1.0 2.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    79   0.00000  1.0 1.0
   63    62    65    67   0.08050  1.0 3.0
   64    62    65    67  -0.43900 -1.0 2.0
   64    62    65    67   0.14100  1.0 3.0
   64    66    69    70   3.62500 -1.0 2.0
   64    66    69    76   3.62500 -1.0 2.0
   64    66   -71    52   1.63200 -1.0 2.0
   64    79    80    81   0.01300  1.0 1.0
   64    79    80    81   0.97950 -1.0 2.0
   64    79    80    81  -0.55700  1.0 3.0
   66    64    79    78   3.62500 -1.0 2.0
   66    64    79    80   3.62500 -1.0 2.0
   66    69    76    77   3.62500 -1.0 2.0
   66    69   -76    78   3.62500 -1.0 2.0
   69    66    71    52   1.63200 -1.0 2.0
   69    76    78    79   3.62500 -1.0 2.0
   69    76    78    85   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    78   3.62500 -1.0 2.0
   76    78   -79    64   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    85    83   0.15800  1.0 1.0
   76    78    85    83   1.85350 -1.0 2.0
   76    78    85    83  -0.48700  1.0 3.0
   76    78    85    86   0.56550  1.0 3.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    85   3.62500 -1.0 2.0
   78    79    80    81   0.01300  1.0 1.0
   78    79    80    81   0.97950 -1.0 2.0
   78    79    80    81  -0.55700  1.0 3.0
   79    64   -66    69   3.62500 -1.0 2.0
   79    64    66    71   3.62500 -1.0 2.0
   79    78    85    83   0.15800  1.0 1.0
   79    78    85    83   1.85350 -1.0 2.0
   79    78    85    83  -0.48700  1.0 3.0
   79    78    85    86   0.56550  1.0 3.0
   79    80    81    82   3.00000 -1.0 2.0
   79    80   -81    83   2.00000 -1.0 2.0
   80    81    83    84   1.63100 -1.0 2.0
   80    81    83    85  -0.56150  1.0 1.0
   80    81    83    85   2.19150 -1.0 2.0
   81    83   -85    78   7.00000 -1.0 2.0
   81    83    85    86   7.00000 -1.0 2.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   1.00000 -1.0 2.0
   84    83    85    78   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    78    79    64   3.62500 -1.0 2.0
   85    78   -79    80   3.62500 -1.0 2.0
   71    52    62    63   0.23400  1.0 3.0
   71    52   -62    64  -0.64350  1.0 1.0
   71    52   -62    64  -0.04200 -1.0 2.0
   71    52   -62    64   0.19800  1.0 3.0
   71    52    62    65   1.11900  1.0 1.0
   71    52    62    65  -1.16350 -1.0 2.0
   71    52    62    65  -0.34150  1.0 3.0
   71    66    69    70   3.62500 -1.0 2.0
   71    66    69    76   3.62500 -1.0 2.0
   65    62    64    66   0.64500  1.0 1.0
   65    62    64    66   0.14800 -1.0 2.0
   65    62    64    66   0.20650  1.0 3.0
   65    62    64    79   0.64500  1.0 1.0
   65    62    64    79   0.14800 -1.0 2.0
   65    62    64    79   0.20650  1.0 3.0
   65    67    72    73   0.00000  1.0 1.0
   65    67    72    74   0.00000  1.0 1.0
   65    67    72    75   0.00000  1.0 1.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   68    67    72    75   0.00000  1.0 1.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    62   0.56750  1.0 1.0
   54    51    52    62  -0.07550 -1.0 2.0
   54    51    52    62   0.20000  1.0 3.0
   54    51    52    71   0.62750  1.0 1.0
   54    51    52    71  -0.30950 -1.0 2.0
   54    51    52    71   0.27300  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    62   0.56750  1.0 1.0
   58    51    52    62  -0.07550 -1.0 2.0
   58    51    52    62   0.20000  1.0 3.0
   58    51    52    71   0.62750  1.0 1.0
   58    51    52    71  -0.30950 -1.0 2.0
   58    51    52    71   0.27300  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  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
   45    50    48    49  10.50000 -1.0 2.0
   66    79    64    62   4.00000 -1.0 2.0
   69    71    66    64   4.00000 -1.0 2.0
   76    70    69    66   1.10000 -1.0 2.0
   78    77    76    69   1.10000 -1.0 2.0
   79    85    78    76   4.00000 -1.0 2.0
   78    80    79    64   4.00000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    84    83    85   1.10000 -1.0 2.0
   78    86    85    83   1.10000 -1.0 2.0
   65    72    67    68  10.50000 -1.0 2.0
END
