* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    151    235     437
    1     0 S   NP   _N1_     1    28.54336    96.32491   -21.99162
    2     1 S   H    _HN1     2     1.02834    39.37131   172.40325
    3     1 S   H    _H1_     3     1.02773    92.19625   -71.55392
    4     1 S   H    _H2_     4     1.02961    78.61455    36.74068
    5     1 S   CT   _CA1     5     1.50149   148.14316   147.09614
    6     5 S   HC   _HA1     6     1.09580   105.17253    75.90097
    7     5 S   CO3  _C1_     7     1.53799   112.48310   -44.12170
    8     7 S   O2Z  _O11     8     1.26358   114.98165   -40.32877
    9     7 S   O2Z  _O12     9     1.26254   114.92223   138.67891
   10     5 S   CT   _CB1    10     1.53095   107.40242  -166.26168
   11    10 S   HC   HB11    11     1.09819   109.22957   -50.93832
   12    10 S   HC   HB12    12     1.09818   110.42813    65.60437
   13    10 S   CT   _CG1    13     1.52976   112.70989  -172.10987
   14    13 S   HC   HG11    14     1.09560   110.28108   -65.52188
   15    13 S   HC   HG12    15     1.09654   110.04211    53.64362
   16    13 S   C    _CD1    16     1.51821   112.45739   173.92607
   17    16 S   O    _OE1    17     1.22715   123.28071    -4.02628
   18    16 S   N    _N2_    18     1.38605   111.54258   176.53344
   19    18 S   H    _HN2    19     1.01559   118.95254     0.81709
   20    18 S   CT1  _CA2    20     1.46260   123.54502  -179.54072
   21    20 S   HC   _HA2    21     1.09734   109.38692   -11.12525
   22    20 S   C    _C2_    22     1.53461   108.22398  -126.69061
   23    22 S   O    _O2_    23     1.23010   122.33384  -146.18955
   24    20 S   CT   _CB2    32     1.53406   111.36591   111.06414
   25    24 S   HC   HB21    33     1.09425   109.62891    54.95761
   26    24 S   HC   HB22    34     1.09521   110.29975   173.57905
   27    22 S   N    _N3_    24     1.38544   113.36533    41.21640
   28    27 S   H    _HN3    25     1.01521   118.88388    -0.64407
   29    24 S   S    _SG2    35     1.83194   111.28856   -67.23003
   30    27 S   CT   _CA3    26     1.45441   123.49160   175.23256
   31    30 S   HC   HA31    27     1.09520   109.31106    23.27659
   32    30 S   HC   HA32    28     1.09499   107.11097   140.26986
   33    29 S   CT   _C18    36     1.84528   101.50319   157.03005
   34    33 S   OM   _O35    37     1.32444   109.48229    58.57104
   35    30 S   CO3  _C3_    29     1.52907   113.02964  -100.26105
   36    35 S   O2Z  _O31    30     1.26409   115.35906   -46.23287
   37    35 S   O2Z  _O32    31     1.26348   115.02003   134.70954
   38    33 S   CT   _C19    38     1.56437   115.87883   -64.87370
   39    38 S   HC   _H4_    39     1.09914   111.82873    94.83948
   40    38 S   C    _C20    40     1.52558   103.15234  -149.56647
   41    40 S   O    _O33    41     1.22214   125.42462  -164.15752
   42    38 S   CO4  _C21    77     1.53053   116.36028   -30.00365
   43    42 S   O    _O34    78     1.23106   122.68769   -49.93189
   44    40 S   N    _N5_    42     1.38784   107.88919    18.58595
   45    44 S   H    _H18    43     1.01400   122.61414   175.53108
   46    42 S   CT   _C22    79     1.50713   116.53433   133.54319
   47    46 S   HC   _H19    80     1.09266   109.45346    64.01166
   48    46 S   HC   _H20    81     1.09212   109.92282   -57.08464
   49    46 S   HC   _H21    82     1.09344   109.70399  -176.39636
   50    33 S   CT   _C17    44     1.56166   109.67482  -179.20352
   51    50 S   HC   _H3_    45     1.09921   108.96533    44.36623
   52    50 S   CT   _C16    46     1.54197   117.31468   -79.95022
   53    52 S   HC   _H16    47     1.09515   108.45603    47.97258
   54    52 S   HC   _H17    48     1.09698   109.40209   -69.79778
   55    52 S   C5B  _C14    49     1.50801   116.19074   168.35740
   56    55 S   C5A  _C15    50     1.38257   126.90459     3.17398
   57    56 S   HA   _H14    51     1.08122   131.47155    -0.34321
   58    56 S   NA   _N4_    52     1.36320   108.85820   179.63901
   59    58 S   H    _H15    53     1.01051   124.95063  -179.96574
   60    58 S   C56A _C12    54     1.37289   110.29850     0.38765
   61    60 S   CA   _C11    55     1.39866   128.73376   179.70658
   62    61 S   HA   _H13    56     1.08511   121.38038     0.25179
   63    61 S   CA   _C10    57     1.39009   117.76466  -179.47998
   64    63 S   HA   _H12    58     1.08667   119.71500   179.73239
   65    63 S   CA   _C9_    59     1.39041   120.50275    -0.03956
   66    65 S   HA   _H11    60     1.08898   118.25191   179.50386
   67    65 S   CA   _C8_    61     1.41634   122.16358    -0.33862
   68    55 S   C56B _C13    62     1.44962   126.53478  -176.64217
   69    67 S   CT   _C7_    63     1.51966   117.08940   178.94094
   70    69 S   HC   _H9_    64     1.09772   108.86215    29.94866
   71    69 S   HC   _H10    65     1.09117   108.78519   144.43672
   72    69 S   CM   _C6_    66     1.50511   112.39860   -90.03458
   73    72 S   HC   _H8_    67     1.08987   115.02764    36.37545
   74    72 S   CM   _C5_    68     1.34717   127.47629  -143.73562
   75    74 S   CT   _C4_    69     1.50570   120.50148   178.86220
   76    75 S   HC   _H5_    70     1.09493   110.28208   119.61246
   77    75 S   HC   _H6_    71     1.09507   110.18300  -120.57947
   78    75 S   HC   _H7_    72     1.09508   112.43605    -0.55072
   79    74 S   CT   _C23    73     1.50257   125.26063    -1.73889
   80    79 S   HC   _H22    74     1.09421   110.07031   119.54613
   81    79 S   HC   _H23    75     1.09531   109.95677  -121.40398
   82    79 S   HC   _H24    76     1.09188   113.61203    -1.43299
  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  10   5   4   3
  16   8   2   1   1  14   7   9   4   7   4   7   3   3   2   1
   1   7   4   9   4   3  10   7   4   7   3   8   7   4   6   3
   7   3   7   4   7   4   3  10   3   8   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    50    51    52    53    54    55    42    43    46  
   38    39    40    44    50    51    52    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    51    52    42    43    46    47    48    49  
   40    41    44    50    42    43    46  
   41    44    45    50    51    52    42    43    46  
   44    45    50    42  
   43    46    47    48    49    44    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    68  
   52    53    54    55  
   53    54    55    56    57    58    60    67    68  
   54    55    56    68  
   55    56    68  
   56    57    58    59    60    61    65    67    68    69  
   57    58    59    60    61    67    68  
   58    59    60    68  
   59    60    61    62    63    67    68  
   60    61    68  
   61    62    63    64    65    67    68    69  
   62    63    64    65    66    67    68  
   63    64    65    68  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   570.000  1.307
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    50   337.000  1.449
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   295.000  1.494
   55    56   520.000  1.370
   55    68   380.000  1.440
   56    57   367.000  1.080
   56    58   427.000  1.381
   58    59   434.000  1.010
   58    60   428.000  1.380
   60    61   469.000  1.400
   60    68   447.000  1.419
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.404
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    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
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    50    44    70.00000  110.72300
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.60000
   38    42    43    80.00000  120.40000
   38    42    46    70.00000  116.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  119.80000
   40    44    50    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    50    51    35.00000  109.50000
   44    50    52    70.00000  110.72300
   50    33    34    50.00000  109.50000
   50    33    38    58.35000  112.70000
   50    44    45    38.00000  118.40000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    70.00000  112.62400
   52    50    51    37.50000  110.70000
   52    55    56    55.00000  127.77900
   52    55    68    55.00000  128.73000
   54    52    53    33.00000  107.80000
   55    52    53    45.00000  111.11700
   55    52    54    45.00000  111.11700
   55    56    57    35.00000  130.70000
   55    56    58    70.00000  106.30000
   55    68    60    80.00000  107.43600
   55    68    67    50.00000  134.85500
   56    58    59    35.00000  120.00000
   56    58    60    90.00000  107.14200
   58    56    57    35.00000  121.60000
   58    60    61    70.00000  132.80000
   58    60    68    70.00000  104.40000
   60    58    59    35.00000  123.10000
   60    61    62    35.00000  120.00000
   60    61    63    85.00000  120.00000
   60    68    67    85.00000  116.20000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    69    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    70.00000  112.99600
   68    55    56    80.00000  105.82900
   68    60    61    85.00000  122.70000
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    79    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    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    74    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
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  107.85200
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    44   1.39750  1.0 1.0
   33    38   -40    44  -0.07950 -1.0 2.0
   33    38   -40    44  -0.18750  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55  -0.03700  1.0 1.0
   33    50    52    55   0.37200 -1.0 2.0
   33    50    52    55  -0.47300  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40  -0.09450  1.0 1.0
   34    33    38    40  -1.12950 -1.0 2.0
   34    33    38    40   0.54000  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    50    44   1.12100  1.0 1.0
   34    33    50    44  -0.16500 -1.0 2.0
   34    33    50    51   0.23400  1.0 3.0
   34    33    50    52   0.62750  1.0 1.0
   34    33    50    52  -0.30950 -1.0 2.0
   34    33    50    52   0.27300  1.0 3.0
   38    33   -50    44   0.43900  1.0 1.0
   38    33   -50    44   0.49100 -1.0 2.0
   38    33   -50    44   0.28400  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.56750  1.0 1.0
   38    33    50    52  -0.07550 -1.0 2.0
   38    33    50    52   0.20000  1.0 3.0
   38    40    44    45   2.45000 -1.0 2.0
   38    40   -44    50   1.49850  1.0 1.0
   38    40   -44    50   1.53950 -1.0 2.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    46   0.65300  1.0 1.0
   40    38    42    46  -0.03850 -1.0 2.0
   40    38    42    46   0.33900  1.0 3.0
   40    44   -50    33  -0.43950  1.0 1.0
   40    44   -50    33  -0.08100 -1.0 2.0
   40    44   -50    33   0.03350  1.0 3.0
   40    44    50    51   0.00000  1.0 1.0
   40    44    50    52  -0.43950  1.0 1.0
   40    44    50    52  -0.08100 -1.0 2.0
   40    44    50    52   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    50   3.04450 -1.0 2.0
   44    50    52    53   0.15000  1.0 3.0
   44    50    52    54   0.15000  1.0 3.0
   44    50    52    55   0.08550  1.0 1.0
   44    50    52    55   1.07500 -1.0 2.0
   44    50    52    55  -0.10950  1.0 3.0
   45    44    50    33   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40  -0.95700  1.0 1.0
   50    33   -38    40  -0.18200 -1.0 2.0
   50    33   -38    40   0.29450  1.0 3.0
   50    33    38    42  -0.95700  1.0 1.0
   50    33    38    42  -0.18200 -1.0 2.0
   50    33    38    42   0.29450  1.0 3.0
   50    52    55    56   0.04150 -1.0 2.0
   50    52    55    68   0.04150 -1.0 2.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.43200  1.0 3.0
   52    55    56    57   3.62500 -1.0 2.0
   52    55    56    58   3.62500 -1.0 2.0
   52    55    68    60   3.62500 -1.0 2.0
   52    55    68    67   3.62500 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    68   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    68   0.00000  1.0 1.0
   55    56    58    59   1.40000 -1.0 2.0
   55    56   -58    60   3.62500 -1.0 2.0
   56    55   -68    60   3.50000 -1.0 2.0
   56    55    68    67   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    68   3.62500 -1.0 2.0
   57    56    58    59   2.00000 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60   -68    55   3.00000 -1.0 2.0
   58    60    68    67   3.00000 -1.0 2.0
   59    58    60    61   1.52500 -1.0 2.0
   59    58    60    68   1.52500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    68    55   3.00000 -1.0 2.0
   61    60    68    67   3.00000 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    55   3.62500 -1.0 2.0
   65    67   -68    60   3.50000 -1.0 2.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.00000  1.0 1.0
   65    67    69    72   0.18050 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    74   1.44450  1.0 1.0
   67    69    72    74   0.06600 -1.0 2.0
   67    69    72    74   0.29250  1.0 3.0
   68    55    56    57   3.62500 -1.0 2.0
   68    55   -56    58   3.62500 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.18050 -1.0 2.0
   69    67    68    55   3.62500 -1.0 2.0
   69    67    68    60   3.62500 -1.0 2.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    79   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    78   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.00000  1.0 1.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   45    40    44    50   1.00000 -1.0 2.0
   56    68    55    52   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   59    56    58    60   1.00000 -1.0 2.0
   61    68    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    69    67    65   4.00000 -1.0 2.0
   60    67    68    55   4.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   75    79    74    72  15.00000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
END
