* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    155    251     457
    1     0 S   NP   _N1_     1    28.98440    95.30955   -25.64268
    2     1 S   H    _HN1     2     1.02793   119.40560   -97.89141
    3     1 S   H    _H1_     3     1.02948    77.99354     6.59240
    4     1 S   H    _H2_     4     1.02827    29.12034  -171.18791
    5     1 S   CT   _CA1     5     1.50132   121.61522   113.32482
    6     5 S   HC   _HA1     6     1.09575   105.15409    89.49295
    7     5 S   CO3  _C1_     7     1.53764   112.44933   -30.68611
    8     7 S   O2Z  _O11     8     1.26377   114.99825   -42.62929
    9     7 S   O2Z  _O12     9     1.26236   114.93827   136.33403
   10     5 S   CT   _CB1    10     1.53057   107.40258  -152.56376
   11    10 S   HC   HB11    11     1.09841   109.30195   -49.49837
   12    10 S   HC   HB12    12     1.09810   110.48804    67.08842
   13    10 S   CT   _CG1    13     1.53022   112.64887  -170.44202
   14    13 S   HC   HG11    14     1.09570   110.71942   -67.64694
   15    13 S   HC   HG12    15     1.09671   109.70548    51.60204
   16    13 S   C    _CD1    16     1.51819   111.99673   172.05018
   17    16 S   O    _OE1    17     1.22759   123.18381    12.05166
   18    16 S   N    _N2_    18     1.38655   111.83740  -167.95754
   19    18 S   H    _HN2    19     1.01576   118.98512     0.85272
   20    18 S   CT1  _CA2    20     1.46199   123.33877   176.25080
   21    20 S   HC   _HA2    21     1.09740   109.27843     6.45218
   22    20 S   C    _C2_    22     1.53661   108.79385  -109.00341
   23    22 S   O    _O2_    23     1.23080   122.22707  -148.69411
   24    20 S   CT   _CB2    32     1.53328   111.76122   128.43021
   25    24 S   HC   HB21    33     1.09590   110.17971    56.65556
   26    24 S   HC   HB22    34     1.09433   109.99078   175.61528
   27    22 S   N    _N3_    24     1.38312   113.84441    38.78994
   28    27 S   H    _HN3    25     1.01553   119.60564    -3.25329
   29    24 S   S    _SG2    35     1.82713   111.59321   -64.02607
   30    27 S   CT   _CA3    26     1.45285   123.29072   177.19893
   31    30 S   HC   HA31    27     1.09547   107.50847   -64.88181
   32    30 S   HC   HA32    28     1.09555   108.00238    51.57887
   33    29 S   CT   _C19    36     1.86358    99.52807  -177.46626
   34    33 S   HC   _H6_    37     1.09994   105.17962   -31.51537
   35    30 S   CO3  _C3_    29     1.52978   114.03320   173.57801
   36    35 S   O2Z  _O31    30     1.26385   116.06875    -0.56614
   37    35 S   O2Z  _O32    31     1.26423   114.42258   179.49410
   38    33 S   CT   _C20    38     1.58580   117.35836  -148.58761
   39    38 S   OM   _O36    39     1.32644   107.84656    44.35053
   40    38 S   HC   _H7_    40     1.10362   102.40212   168.63533
   41    38 S   CT   _C12    41     1.58565   115.69214   -80.10644
   42    41 S   CA   _C7_    42     1.57182   115.15151  -159.54655
   43    41 S   CT   _C13    57     1.55342   115.68204    74.85749
   44    43 S   HC   _H14    58     1.09687   112.45813    91.10968
   45    43 S   HC   _H15    59     1.09150   112.99488   -29.14593
   46    41 S   CT   _C16    60     1.54611   110.13513   -40.33055
   47    46 S   HC   _H4_    61     1.09926   112.54900   -80.04634
   48    42 S   CA   _C8_    43     1.40174   122.50157   -24.59816
   49    48 S   HA   _H11    44     1.08222   122.80773     1.27211
   50    46 S   CT   _C17    62     1.52503   116.88342    46.20331
   51    50 S   HC   _H20    63     1.09496   112.00600    66.99350
   52    50 S   HC   _H21    64     1.09772   108.34280  -175.93134
   53    48 S   CA   _C9_    45     1.38207   118.91366  -178.71580
   54    33 S   CT   _C18    65     1.54096   108.20538    83.77913
   55    54 S   HC   _H5_    66     1.09543   111.61370   -45.99303
   56    53 S   CA   _C10    46     1.37736   122.83207    -0.00000
   57    54 S   OH   _O37    67     1.43022   109.82167  -163.21612
   58    57 S   HO   _H22    68     0.97277   107.53612    57.56259
   59    56 S   CA   _C5_    47     1.38240   121.08943    -0.08156
   60    56 S   OS   _O34    74     1.36248   111.11246  -179.92338
   61    42 S   CA   _C6_    48     1.43673   119.37897   156.88926
   62    59 S   OS   _O33    69     1.36709   127.14423  -179.41416
   63    60 S   CO   _C11    75     1.43807   101.99532    -0.08393
   64    63 S   HC   _H12    76     1.09601   108.72641  -120.83353
   65    63 S   HC   _H13    77     1.09600   108.72238   121.02008
   66    61 S   CT   _C15    49     1.51592   119.59265    -3.16607
   67    66 S   HC   _H18    50     1.09553   111.74645   128.55836
   68    66 S   HC   _H19    51     1.09636   109.71909  -110.58985
   69    62 S   CT   _C4_    70     1.42036   118.42005    -0.07662
   70    69 S   HC   _H8_    71     1.09449   107.61604   179.95154
   71    69 S   HC   _H9_    72     1.09454   111.21149    62.59961
   72    69 S   HC   _H10    73     1.09453   111.20461   -62.70088
   73    53 S   OS   _O35    78     1.36359   124.32015  -179.97202
   74    66 S   NP   _N4_    52     1.51020   113.45570     7.67984
   75    74 S   H    _H3_    53     1.02858   108.81150  -167.45955
   76    74 S   CT   _C14    54     1.51536   111.75097    70.60384
   77    76 S   HC   _H16    55     1.09466   107.06559   147.18058
   78    76 S   HC   _H17    56     1.09418   109.66455    28.68213
  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
  15   8   2   1   1  17   6   5  21  19  13   6   5  17   8   9
   4  10   5   4   9   4   2  10   1   1  13   6   8   5   3   2
   1   7   4   3   3   2   1   1   1   4   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    54    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    50    51    52    54    55    57    58  
   38    39    40    41    50    54    55    57  
   36    37  
   37  
    0  
   39    40    41    42    48    61    74    76    43    44    45    46    47    50    54    55    57  
   40    41    42    43    46    54  
   41    42    43    46    54  
   42    48    49    53    59    61    66    74    75    76    77    78    43    44    45    46    47    50    51    52    54  
   48    49    53    56    59    61    66    67    68    74    76    43    44    45    46    47    50    62    73  
   44    45    46    47    50    48    61    66    74    75    76    77    78  
   45    46    74    76    77    78  
   46    74    76    77    78  
   47    50    51    52    54    55    57    48    61    66    67    68    74    75    76    77    78  
   50    51    52    54    66    74    75    76  
   49    53    56    59    61    66    60    63    73  
   53    56    61    73  
   51    52    54    55    57    58    66    74    75    76  
   52    54    55    57    74  
   54    55    57    74  
   56    59    61    62    60    63    64    65    73  
   55    57    58    74  
   57    58  
   59    61    66    62    69    60    63    64    65    73  
   58  
    0  
   61    66    67    68    74    62    69    70    71    72    60    63    73  
   63    64    65    73    61    62  
   66    67    68    74    75    76    62    69  
   69    70    71    72    66  
   64    65    73  
   65    73  
   73  
   67    68    74    75    76    77    78  
   68    74    75    76  
   74    75    76  
   70    71    72  
   71    72  
   72  
    0  
    0  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   75   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   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   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    46   268.000  1.529
   42    48   469.000  1.400
   42    61   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    56   469.000  1.400
   53    73   450.000  1.364
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   367.000  1.471
   74    75   434.000  1.010
   74    76   367.000  1.471
   74    46   367.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    63   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   320.000  1.380
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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    54    50    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    48    70.00000  120.00000
   41    42    61    70.00000  120.00000
   41    43    76    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    46    74    80.00000  111.20000
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   42    48    49    35.00000  120.00000
   42    48    53    63.00000  120.00000
   42    61    59    63.00000  120.00000
   42    61    66    70.00000  120.00000
   48    53    56    63.00000  120.00000
   48    53    73    70.00000  120.00000
   53    48    49    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    56    60    70.00000  120.00000
   53    73    63   100.00000  112.36700
   56    59    61    63.00000  120.00000
   56    59    62    70.00000  120.00000
   56    60    63   100.00000  112.36700
   59    61    66    70.00000  120.00000
   59    62    69    75.00000  111.00000
   61    42    48    63.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    74    75.00000  110.83300
   66    74    75    35.00000  109.50000
   66    74    76    75.00000  113.01200
   66    74    46    75.00000  113.01200
   68    66    67    33.00000  107.80000
   74    66    67    35.00000  109.50000
   74    66    68    35.00000  109.50000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    43    80.00000  111.20000
   74    46    47    35.00000  109.50000
   74    46    50    80.00000  111.20000
   76    74    75    35.00000  109.50000
   76    43    44    37.50000  110.70000
   76    43    45    37.50000  110.70000
   78    76    77    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    76    77    37.50000  110.70000
   43    76    78    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    41    42    70.00000  112.17500
   46    41    43    58.35000  112.70000
   46    74    75    35.00000  109.50000
   46    74    76    75.00000  113.01200
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    33.00000  107.80000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   62    59    61    70.00000  120.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    56    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    73    92.60000  111.55000
   65    63    64    33.00000  109.50000
   73    53    56    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    63    65    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.32350  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   33    38    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    54    57    58  -0.11600  1.0 1.0
   33    54    57    58  -0.09450 -1.0 2.0
   33    54    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57   0.23400  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    57   0.86500  1.0 1.0
   38    33    54    57  -0.17500 -1.0 2.0
   38    33    54    57   0.20800  1.0 3.0
   38    41    42    48   0.04150 -1.0 2.0
   38    41    42    61   0.04150 -1.0 2.0
   38    41    43    76   0.56750  1.0 1.0
   38    41    43    76  -0.07550 -1.0 2.0
   38    41    43    76   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41    46    74   1.36600  1.0 1.0
   38    41    46    74  -0.11450 -1.0 2.0
   38    41    46    74   0.24250  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41   -46    50   0.56750  1.0 1.0
   38    41   -46    50  -0.07550 -1.0 2.0
   38    41   -46    50   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   0.62750  1.0 1.0
   39    38    41    46  -0.30950 -1.0 2.0
   39    38    41    46   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    42    48    49   3.62500 -1.0 2.0
   41    42    48    53   3.62500 -1.0 2.0
   41    42    61    59   3.62500 -1.0 2.0
   41    42    61    66   3.62500 -1.0 2.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    54   0.56750  1.0 1.0
   41    46    50    54  -0.07550 -1.0 2.0
   41    46    50    54   0.20000  1.0 3.0
   42    41    43    76  -0.03700  1.0 1.0
   42    41    43    76   0.37200 -1.0 2.0
   42    41    43    76  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    45   0.43200  1.0 3.0
   42    41    46    74   1.24050  1.0 1.0
   42    41    46    74   0.48100 -1.0 2.0
   42    41    46    74   1.08150  1.0 3.0
   42    41    46    47   0.43200  1.0 3.0
   42    41    46    50  -0.03700  1.0 1.0
   42    41    46    50   0.37200 -1.0 2.0
   42    41    46    50  -0.47300  1.0 3.0
   42    48    53    56   3.62500 -1.0 2.0
   42    48    53    73   3.62500 -1.0 2.0
   42    61    66    67   0.00000  1.0 1.0
   42    61    66    68   0.00000  1.0 1.0
   42    61   -66    74  -0.46400 -1.0 2.0
   48    42    61    59   3.62500 -1.0 2.0
   48    42    61    66   3.62500 -1.0 2.0
   48    53   -56    59   3.62500 -1.0 2.0
   48    53    56    60   3.62500 -1.0 2.0
   48    53    73    63   1.63200 -1.0 2.0
   49    48    53    56   3.62500 -1.0 2.0
   49    48    53    73   3.62500 -1.0 2.0
   53    56    59    61   3.62500 -1.0 2.0
   53    56    59    62   3.62500 -1.0 2.0
   53    56   -60    63   1.63200 -1.0 2.0
   56    53   -73    63   1.63200 -1.0 2.0
   56    59   -61    42   3.62500 -1.0 2.0
   56    59    61    66   3.62500 -1.0 2.0
   56    59    62    69   1.63200 -1.0 2.0
   56    60    63    64   0.08050  1.0 3.0
   56    60    63    65   0.08050  1.0 3.0
   56    60   -63    73  -0.25600  1.0 1.0
   56    60   -63    73  -0.40050 -1.0 2.0
   56    60   -63    73   0.34700  1.0 3.0
   59    56    60    63   1.63200 -1.0 2.0
   59    61    66    67   0.00000  1.0 1.0
   59    61    66    68   0.00000  1.0 1.0
   59    61    66    74  -0.46400 -1.0 2.0
   59    62    69    70   0.08050  1.0 3.0
   59    62    69    71   0.08050  1.0 3.0
   59    62    69    72   0.08050  1.0 3.0
   61    42    48    49   3.62500 -1.0 2.0
   61    42   -48    53   3.62500 -1.0 2.0
   61    59    62    69   1.63200 -1.0 2.0
   61    66    74    75   0.17350  1.0 3.0
   61    66    74    76   0.03550  1.0 1.0
   61    66    74    76   0.09800 -1.0 2.0
   61    66    74    46   0.03550  1.0 1.0
   61    66    74    46   0.09800 -1.0 2.0
   66    74    76    77   0.15000  1.0 3.0
   66    74    76    78   0.15000  1.0 3.0
   66    74    76    43   0.47100  1.0 1.0
   66    74   -46    41   0.47100  1.0 1.0
   66    74    46    47   0.15000  1.0 3.0
   66    74    46    50   0.47100  1.0 1.0
   67    66    74    75   0.13050  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    46   0.15000  1.0 3.0
   68    66    74    75   0.13050  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    46   0.15000  1.0 3.0
   74    76   -43    41   1.36600  1.0 1.0
   74    76   -43    41  -0.11450 -1.0 2.0
   74    76   -43    41   0.24250  1.0 3.0
   74    76    43    44   0.19200  1.0 3.0
   74    76    43    45   0.19200  1.0 3.0
   74    46    50    51   0.19200  1.0 3.0
   74    46    50    52   0.19200  1.0 3.0
   74    46    50    54   1.36600  1.0 1.0
   74    46    50    54  -0.11450 -1.0 2.0
   74    46    50    54   0.24250  1.0 3.0
   75    74    76    77   0.13050  1.0 3.0
   75    74    76    78   0.13050  1.0 3.0
   75    74    76    43   0.17350  1.0 3.0
   75    74    46    41   0.17350  1.0 3.0
   75    74    46    47   0.13050  1.0 3.0
   75    74    46    50   0.17350  1.0 3.0
   76    74   -46    41   0.47100  1.0 1.0
   76    74    46    47   0.15000  1.0 3.0
   76    74    46    50   0.47100  1.0 1.0
   77    76    43    41   0.15000  1.0 3.0
   77    76    43    44   0.15000  1.0 3.0
   77    76    43    45   0.15000  1.0 3.0
   78    76    43    41   0.15000  1.0 3.0
   78    76    43    44   0.15000  1.0 3.0
   78    76    43    45   0.15000  1.0 3.0
   43    41    42    48   0.04150 -1.0 2.0
   43    41    42    61   0.04150 -1.0 2.0
   43    41   -46    74   1.36600  1.0 1.0
   43    41   -46    74  -0.11450 -1.0 2.0
   43    41   -46    74   0.24250  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   46    41    42    48   0.04150 -1.0 2.0
   46    41   -42    61   0.04150 -1.0 2.0
   46    41   -43    76   0.56750  1.0 1.0
   46    41   -43    76  -0.07550 -1.0 2.0
   46    41   -43    76   0.20000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    74    76    77   0.15000  1.0 3.0
   46    74    76    78   0.15000  1.0 3.0
   46    74   -76    43   0.47100  1.0 1.0
   46    50   -54    33   0.56750  1.0 1.0
   46    50   -54    33  -0.07550 -1.0 2.0
   46    50   -54    33   0.20000  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    57   0.86500  1.0 1.0
   46    50    54    57  -0.17500 -1.0 2.0
   46    50    54    57   0.20800  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50    54    33   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.23400  1.0 3.0
   54    33    38    39   0.62750  1.0 1.0
   54    33    38    39  -0.30950 -1.0 2.0
   54    33    38    39   0.27300  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41   0.56750  1.0 1.0
   54    33   -38    41  -0.07550 -1.0 2.0
   54    33   -38    41   0.20000  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   62    59    61    42   3.62500 -1.0 2.0
   62    59    61    66   3.62500 -1.0 2.0
   60    56    59    61   3.62500 -1.0 2.0
   60    56    59    62   3.62500 -1.0 2.0
   60    63   -73    53  -0.25600  1.0 1.0
   60    63   -73    53  -0.40050 -1.0 2.0
   60    63   -73    53   0.34700  1.0 3.0
   64    63    73    53   0.08050  1.0 3.0
   65    63    73    53   0.08050  1.0 3.0
   73    53    56    59   3.62500 -1.0 2.0
   73    53   -56    60   3.62500 -1.0 2.0
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
   48    61    42    41   4.00000 -1.0 2.0
   53    49    48    42   1.10000 -1.0 2.0
   56    73    53    48   4.00000 -1.0 2.0
   59    60    56    53   4.00000 -1.0 2.0
   61    62    59    56   4.00000 -1.0 2.0
   59    66    61    42   4.00000 -1.0 2.0
END
