* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    148    221     427
    1     0 S   NP   _N1_     1    28.66660    95.77587   -23.76837
    2     1 S   H    _HN1     2     1.02950    75.13764    14.84148
    3     1 S   H    _H1_     3     1.02831    34.61411   171.74781
    4     1 S   H    _H2_     4     1.02788   106.35896   -90.32241
    5     1 S   CT   _CA1     5     1.50109   136.07769   119.01668
    6     5 S   HC   _HA1     6     1.09573   105.20564    88.19115
    7     5 S   CO3  _C1_     7     1.53787   112.41106   -32.05967
    8     7 S   O2Z  _O11     8     1.26371   115.01560   -43.99806
    9     7 S   O2Z  _O12     9     1.26235   114.93876   135.10867
   10     5 S   CT   _CB1    10     1.53075   107.41717  -153.84906
   11    10 S   HC   HB11    11     1.09834   109.38112   -49.82844
   12    10 S   HC   HB12    12     1.09813   110.45324    66.77407
   13    10 S   CT   _CG1    13     1.52992   112.60165  -170.80286
   14    13 S   HC   HG11    14     1.09590   110.63465   -65.24642
   15    13 S   HC   HG12    15     1.09669   109.80442    53.99216
   16    13 S   C    _CD1    16     1.51800   112.19368   174.44857
   17    16 S   O    _OE1    17     1.22735   123.28289     6.48313
   18    16 S   N    _N2_    18     1.38605   111.65968  -173.61395
   19    18 S   H    _HN2    19     1.01600   119.00157     1.64402
   20    18 S   CT1  _CA2    20     1.46245   123.48576   178.25348
   21    20 S   HC   _HA2    21     1.09731   109.36358     3.73654
   22    20 S   C    _C2_    22     1.53581   108.91436  -111.86296
   23    22 S   O    _O2_    23     1.23070   122.24858  -150.14508
   24    20 S   CT   _CB2    32     1.53342   111.23466   125.70744
   25    24 S   HC   HB21    33     1.09445   109.41738    56.23163
   26    24 S   HC   HB22    34     1.09463   110.25523   174.89600
   27    22 S   N    _N3_    24     1.38325   113.80305    37.43574
   28    27 S   H    _HN3    25     1.01572   119.55612    -3.60342
   29    24 S   S    _SG2    35     1.83322   111.05238   -65.49818
   30    27 S   CT   _CA3    26     1.45277   123.22549   177.08718
   31    30 S   HC   HA31    27     1.09550   107.52324   -64.32646
   32    30 S   HC   HA32    28     1.09558   107.97548    52.11406
   33    29 S   CT   _C17    36     1.88080   100.88830   164.28319
   34    30 S   CO3  _C3_    29     1.52960   114.07286   174.09917
   35    34 S   O2Z  _O31    30     1.26378   116.07163    -0.63396
   36    34 S   O2Z  _O32    31     1.26427   114.41564   179.42768
   37    33 S   CO4  _C11    37     1.52879   105.61505    59.30233
   38    37 S   O    _O23    38     1.23064   122.84931    45.11549
   39    33 S   CM   _C12    51     1.53094   109.51775   -64.52169
   40    33 S   CT   _C22    56     1.55795   106.84290   172.93659
   41    40 S   HC   _H43    57     1.09795   110.84417    55.82974
   42    40 S   HC   _H44    58     1.09640   110.26960   -59.47899
   43    37 S   CA   _C9_    39     1.47026   118.00737  -138.28463
   44    39 S   CT   _C18    52     1.53121   115.14418   -52.19155
   45    44 S   HC   _H31    53     1.09347   111.38783   -41.72366
   46    44 S   HC   _H32    54     1.09480   113.23803  -160.31788
   47    44 S   HC   _H33    55     1.09459   110.69269    79.24647
   48    40 S   CM   _C13    59     1.51064   113.79272   176.16258
   49    48 S   HC   _H29    60     1.09006   113.92344   -74.56618
   50    43 S   CA   _C7_    40     1.40730   117.97510  -166.95639
   51    50 S   HA   _H28    41     1.08733   121.07145    -0.64831
   52    48 S   CM   _C15    61     1.34762   128.37454   106.40361
   53    50 S   CA   _C5_    42     1.39011   120.47868   178.79715
   54    53 S   HA   _H26    43     1.08564   120.28117  -179.80820
   55    52 S   CT   _C19    62     1.50388   125.02034    -1.92417
   56    55 S   HC   _H34    63     1.09389   110.53662   117.39278
   57    55 S   HC   _H35    64     1.09529   110.01440  -123.04816
   58    55 S   HC   _H36    65     1.09138   113.63277    -3.29253
   59    52 S   CT   _C24    66     1.51844   119.80589  -179.65170
   60    59 S   HC   _H47    67     1.09777   108.53682   132.21419
   61    59 S   HC   _H48    68     1.09847   110.54210    17.27279
   62    53 S   CA   _C4_    44     1.38613   119.37985    -0.02798
   63    62 S   HA   _H25    45     1.08611   120.20577  -179.84051
   64    59 S   CT   _C23    69     1.53460   113.87840  -106.24228
   65    64 S   HC   _H45    70     1.09319   110.52062   -57.54031
   66    64 S   HC   _H46    71     1.09764   108.28541  -172.49671
   67    62 S   CA   _C6_    46     1.39855   119.90780     0.22381
   68    67 S   HA   _H27    47     1.08879   116.82873  -179.96044
   69    64 S   CM   _C14    72     1.50475   112.45335    69.13477
   70    69 S   HC   _H30    73     1.08980   113.85412    67.82402
   71    43 S   CA   _C8_    48     1.39882   120.36512    12.21911
   72    69 S   CM   _C16    74     1.34664   128.22161  -112.41646
   73    71 S   CMA  _C10    49     1.51598   123.56194     1.98899
   74    73 S   OM   _O22    50     1.26981   118.71403   170.84384
   75    72 S   CT   _C20    75     1.50601   120.33238  -179.80416
   76    75 S   HC   _H37    76     1.09496   110.23427   120.57479
   77    75 S   HC   _H38    77     1.09511   112.44227     0.48051
   78    75 S   HC   _H39    78     1.09500   110.24098  -119.60884
   79    72 S   CT   _C21    79     1.50226   125.43509     0.86953
   80    79 S   HC   _H40    80     1.09528   110.00262   121.00250
   81    79 S   HC   _H41    81     1.09508   110.04697  -119.74896
   82    79 S   HC   _H42    82     1.09121   113.73524     0.81277
  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  14   5  13  10   4   3  10   6   3   2   1  10
   3   8   4  11   6   3   7   3   2   1   8   5   4   5   3   7
   4   3   4   2  10   3   2   8   1   1   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    73    39    44    40    41    42    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    50    71    73    74    39    44    45    46    47    40    41    42    48    49    52  
   35    36  
   36  
    0  
   38    43    50    51    53    67    71    73    39    44    40    41    42    48  
   43    50    71    39    40  
   44    45    46    47    40    41    42    48    43    67    71    73    74  
   41    42    48    49    52    55    59    43    44    73  
   42    48    49    52  
   48    49    52  
   50    51    53    54    62    67    68    71    73    74  
   45    46    47    71    73    74  
   46    47    73  
   47    73  
   73  
   49    52    55    56    57    58    59    60    61    64  
   52    55    59  
   51    53    54    62    63    67    71    73  
   53    54    62    71  
   55    56    57    58    59    60    61    64    65    66    69  
   54    62    63    67    68    71  
   62    63    67  
   56    57    58    59    60    61    64  
   57    58    59  
   58    59  
   59  
   60    61    64    65    66    69    70    72  
   61    64    65    66    69  
   64    65    66    69  
   63    67    68    71    73  
   67    68    71  
   65    66    69    70    72    75    79  
   66    69    70    72  
   69    70    72  
   68    71    73    74  
   71    73  
   70    72    75    76    77    78    79    80    81    82  
   72    75    79  
   73    74  
   75    76    77    78    79    80    81    82  
   74  
    0  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   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   317.000  1.522
   33    39   317.000  1.510
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    50   469.000  1.400
   43    71   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   53    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    73   320.000  1.460
   73    74   745.000  1.250
   73    39   465.000  1.376
   39    44   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   317.000  1.510
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    55   317.000  1.510
   52    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   317.000  1.510
   69    70   340.000  1.080
   69    72   549.000  1.340
   72    75   317.000  1.510
   72    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    73    70.00000  124.00000
   33    39    44    65.00000  117.92700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    48    70.00000  112.02700
   37    43    50    60.00000  119.52600
   37    43    71    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    50    51    35.00000  120.00000
   43    50    53    63.00000  120.00000
   43    71    67    63.00000  120.00000
   43    71    73    60.00000  120.93500
   50    53    54    35.00000  120.00000
   50    53    62    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    62    63    35.00000  120.00000
   53    62    67    63.00000  120.00000
   62    53    54    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    71    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    71    73    60.00000  120.93500
   71    43    50    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    85.00000  114.86500
   71    73    39    60.00000  123.20500
   73    39    44    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    73    74    65.00000  137.10300
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    39    70.00000  112.02700
   40    48    49    35.00000  117.00000
   40    48    52    70.00000  124.00000
   42    40    41    33.00000  107.80000
   48    40    41    35.00000  109.50000
   48    40    42    35.00000  109.50000
   48    52    55    70.00000  124.00000
   48    52    59    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    64    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    52    55    65.00000  117.92700
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    69    70.00000  112.02700
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    69    70    35.00000  117.00000
   64    69    72    70.00000  124.00000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    72    75    70.00000  124.00000
   69    72    79    70.00000  124.00000
   72    69    70    35.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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    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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    73   0.42700  1.0 1.0
   29    33    39    73  -0.70350 -1.0 2.0
   29    33    39    73  -0.43150  1.0 3.0
   29    33    39    44   0.30250  1.0 1.0
   29    33    39    44  -0.14950 -1.0 2.0
   29    33    39    44   0.36900  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    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   33    37    43    50   2.26350  1.0 1.0
   33    37    43    50   0.76750 -1.0 2.0
   33    37    43    50   0.22500  1.0 3.0
   33    37    43    71   2.26350  1.0 1.0
   33    37    43    71   0.76750 -1.0 2.0
   33    37    43    71   0.22500  1.0 3.0
   33    39    44    45   0.34800  1.0 3.0
   33    39    44    46   0.34800  1.0 3.0
   33    39    44    47   0.34800  1.0 3.0
   33    40    48    49   0.00000  1.0 1.0
   33    40    48    52   0.09850  1.0 1.0
   33    40    48    52   0.15250 -1.0 2.0
   33    40    48    52  -0.50650  1.0 3.0
   37    33    39    73  -0.51250  1.0 1.0
   37    33    39    73  -0.88800 -1.0 2.0
   37    33    39    73   0.08850  1.0 3.0
   37    33    39    44   0.17250  1.0 1.0
   37    33    39    44  -0.04100 -1.0 2.0
   37    33    39    44  -0.33850  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    48  -0.98800  1.0 1.0
   37    33    40    48   0.48800 -1.0 2.0
   37    33    40    48   0.76800  1.0 3.0
   37    43    50    51   3.62500 -1.0 2.0
   37    43    50    53   3.62500 -1.0 2.0
   37    43    71    67   3.62500 -1.0 2.0
   37    43   -71    73   3.62500 -1.0 2.0
   38    37    43    50   1.05000 -1.0 2.0
   38    37    43    71   1.05000 -1.0 2.0
   43    50    53    54   3.62500 -1.0 2.0
   43    50    53    62   3.62500 -1.0 2.0
   43    71    73    74  -0.01750  1.0 1.0
   43    71    73    74  -0.32000 -1.0 2.0
   43    71    73    74   0.00600  1.0 3.0
   43    71    73    39   0.15800  1.0 1.0
   43    71    73    39   1.85350 -1.0 2.0
   43    71    73    39  -0.48700  1.0 3.0
   50    43    71    67   3.62500 -1.0 2.0
   50    43    71    73   3.62500 -1.0 2.0
   50    53    62    63   3.62500 -1.0 2.0
   50    53   -62    67   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    62   3.62500 -1.0 2.0
   53    62    67    68   3.62500 -1.0 2.0
   53    62    67    71   3.62500 -1.0 2.0
   54    53    62    63   3.62500 -1.0 2.0
   54    53    62    67   3.62500 -1.0 2.0
   62    67   -71    43   3.62500 -1.0 2.0
   62    67    71    73   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   67    71    73    74  -0.01750  1.0 1.0
   67    71    73    74  -0.32000 -1.0 2.0
   67    71    73    74   0.00600  1.0 3.0
   67    71    73    39   0.15800  1.0 1.0
   67    71    73    39   1.85350 -1.0 2.0
   67    71    73    39  -0.48700  1.0 3.0
   68    67    71    43   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    43    50    51   3.62500 -1.0 2.0
   71    43   -50    53   3.62500 -1.0 2.0
   71    73   -39    33   7.00000 -1.0 2.0
   71    73    39    44   7.00000 -1.0 2.0
   73    39    44    45   0.00000  1.0 1.0
   73    39    44    46   0.00000  1.0 1.0
   73    39    44    47   0.00000  1.0 1.0
   74    73    39    33   7.00000 -1.0 2.0
   74    73    39    44   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    48   0.31000  1.0 1.0
   39    33    40    48   0.14700 -1.0 2.0
   39    33    40    48   0.07550  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    43   0.05850 -1.0 2.0
   40    33    37    43   0.17250  1.0 3.0
   40    33    39    73   0.09850  1.0 1.0
   40    33    39    73   0.15250 -1.0 2.0
   40    33    39    73  -0.50650  1.0 3.0
   40    33    39    44   0.46850  1.0 1.0
   40    33    39    44   0.08550 -1.0 2.0
   40    33    39    44   0.09800  1.0 3.0
   40    48    52    55   7.00000 -1.0 2.0
   40    48    52    59   7.00000 -1.0 2.0
   41    40    48    49   0.33100  1.0 3.0
   41    40    48    52   0.00000  1.0 1.0
   42    40    48    49   0.33100  1.0 3.0
   42    40    48    52   0.00000  1.0 1.0
   48    52    55    56   0.00000  1.0 1.0
   48    52    55    57   0.00000  1.0 1.0
   48    52    55    58   0.00000  1.0 1.0
   48    52    59    60   0.00000  1.0 1.0
   48    52    59    61   0.00000  1.0 1.0
   48    52    59    64   0.09850  1.0 1.0
   48    52    59    64   0.15250 -1.0 2.0
   48    52    59    64  -0.50650  1.0 3.0
   49    48    52    55   7.00000 -1.0 2.0
   49    48    52    59   7.00000 -1.0 2.0
   52    59    64    65   0.15000  1.0 3.0
   52    59    64    66   0.15000  1.0 3.0
   52    59    64    69   0.31000  1.0 1.0
   52    59    64    69   0.14700 -1.0 2.0
   52    59    64    69   0.07550  1.0 3.0
   55    52    59    60   0.34800  1.0 3.0
   55    52    59    61   0.34800  1.0 3.0
   55    52    59    64   0.46850  1.0 1.0
   55    52    59    64   0.08550 -1.0 2.0
   55    52    59    64   0.09800  1.0 3.0
   59    52    55    56   0.34800  1.0 3.0
   59    52    55    57   0.34800  1.0 3.0
   59    52    55    58   0.34800  1.0 3.0
   59    64    69    70   0.00000  1.0 1.0
   59    64    69    72   0.09850  1.0 1.0
   59    64    69    72   0.15250 -1.0 2.0
   59    64    69    72  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    69   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    69   0.15000  1.0 3.0
   64    69    72    75   7.00000 -1.0 2.0
   64    69    72    79   7.00000 -1.0 2.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    72   0.00000  1.0 1.0
   66    64    69    70   0.33100  1.0 3.0
   66    64    69    72   0.00000  1.0 1.0
   69    72    75    76   0.00000  1.0 1.0
   69    72    75    77   0.00000  1.0 1.0
   69    72    75    78   0.00000  1.0 1.0
   69    72    79    80   0.00000  1.0 1.0
   69    72    79    81   0.00000  1.0 1.0
   69    72    79    82   0.00000  1.0 1.0
   70    69    72    75   7.00000 -1.0 2.0
   70    69    72    79   7.00000 -1.0 2.0
   75    72    79    80   0.34800  1.0 3.0
   75    72    79    81   0.34800  1.0 3.0
   75    72    79    82   0.34800  1.0 3.0
   79    72    75    76   0.34800  1.0 3.0
   79    72    75    77   0.34800  1.0 3.0
   79    72    75    78   0.34800  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
   33    43    37    38  10.50000 -1.0 2.0
   50    71    43    37   4.00000 -1.0 2.0
   53    51    50    43   1.10000 -1.0 2.0
   62    54    53    50   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   71    68    67    62   1.10000 -1.0 2.0
   67    73    71    43   4.00000 -1.0 2.0
   71    74    73    39   1.10000 -1.0 2.0
   33    44    39    73   1.10000 -1.0 2.0
   40    49    48    52  15.00000 -1.0 2.0
   55    59    52    48  15.00000 -1.0 2.0
   64    70    69    72  15.00000 -1.0 2.0
   75    79    72    69  15.00000 -1.0 2.0
END
