* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    138    194     401
    1     0 S   NP   _N1_     1    30.86602    90.21319   -20.50809
    2     1 S   H    _HN1     2     1.02674    21.10581     8.59658
    3     1 S   H    _H1_     3     1.03569   123.60315   -36.92386
    4     1 S   H    _H2_     4     1.03212   111.28116    92.09096
    5     1 S   CT   _CA1     5     1.50048    91.48884  -154.55484
    6     5 S   HC   _HA1     6     1.09555   105.22063    65.51270
    7     5 S   CO3  _C1_     7     1.53647   113.11340   -55.15883
    8     7 S   O2Z  _O11     8     1.26366   115.28547   -39.93888
    9     7 S   O2Z  _O12     9     1.26294   114.90361   139.43053
   10     5 S   CT   _CB1    10     1.52719   107.00502  -176.56270
   11    10 S   HC   HB11    11     1.09730   109.18729   -48.97773
   12    10 S   HC   HB12    12     1.09768   110.05056    67.08091
   13    10 S   CT   _CG1    13     1.52999   113.83932  -169.97720
   14    13 S   HC   HG11    14     1.09520   111.34875   -73.68210
   15    13 S   HC   HG12    15     1.09567   111.09297    46.48468
   16    13 S   C    _CD1    16     1.51359   108.52722   165.22512
   17    16 S   O    _OE1    17     1.22822   121.74816   -98.59366
   18    16 S   N    _N2_    18     1.38427   112.87363    78.33585
   19    18 S   H    _HN2    19     1.01541   119.22669     9.59911
   20    18 S   CT1  _CA2    20     1.46055   123.08524  -166.99731
   21    20 S   HC   _HA2    21     1.09564   108.30726    16.31775
   22    20 S   C    _C2_    22     1.53687   111.19273   -99.99235
   23    22 S   O    _O2_    23     1.23184   121.75883  -154.29739
   24    20 S   CT   _CB2    32     1.53860   111.52932   137.06784
   25    24 S   HC   HB21    33     1.09697   109.07589    75.40677
   26    24 S   HC   HB22    34     1.09460   110.64312  -168.39016
   27    22 S   N    _N3_    24     1.38183   114.69869    32.59554
   28    27 S   H    _HN3    25     1.01526   119.82614    -2.30749
   29    24 S   S    _SG2    35     1.83160   115.65728   -42.90456
   30    27 S   CT   _CA3    26     1.45336   122.84482   177.11432
   31    30 S   HC   HA31    27     1.09558   107.41283   -66.18095
   32    30 S   HC   HA32    28     1.09571   108.02365    50.16227
   33    29 S   CT   _C7_    36     1.84248   101.65793   -67.93962
   34    33 S   HC   _H6_    37     1.09583   106.65935    43.90245
   35    30 S   CO3  _C3_    29     1.52888   114.41529   172.29949
   36    35 S   O2Z  _O31    30     1.26318   116.16361     0.62024
   37    35 S   O2Z  _O32    31     1.26466   114.37221  -179.29947
   38    33 S   CT   _C6_    38     1.54658   112.53294   -74.63671
   39    38 S   HC   _H5_    39     1.09414   109.94273    44.56796
   40    38 S   CT   _C5_    40     1.53861   114.45861   -78.71598
   41    40 S   HC   _H4_    41     1.09554   109.09846  -169.83877
   42    38 S   OS   _O41    73     1.43362   107.83010   161.90576
   43    40 S   CT   _C4_    42     1.53874   111.08967   -50.80799
   44    43 S   HC   _H3_    43     1.09695   109.16422   -64.57081
   45    40 S   OS   _O45    67     1.42494   110.71961    71.06954
   46    42 S   P2   _P3_    74     1.63014   118.79317  -104.48525
   47    46 S   O2Z  _O44    75     1.51103   109.13893   -73.30871
   48    46 S   O2Z  _O42    76     1.51087   109.71857    61.70187
   49    43 S   CT   _C9_    44     1.53824   112.60646    55.02520
   50    49 S   HC   _H8_    45     1.09480   107.54072  -176.62409
   51    43 S   OS   _O49    61     1.42865   111.87772   176.34789
   52    45 S   P2   _P4_    68     1.62923   119.72676    88.05361
   53    52 S   O2Z  _O48    69     1.51056   109.77931   -79.46974
   54    52 S   O2Z  _O46    70     1.51218   109.54253    56.01249
   55    46 S   OS   _O43    77     1.63028    98.52812   174.40430
   56    55 S   HO   _H12    78     0.97822   116.13505   173.51188
   57    33 S   CT   _C8_    46     1.55404   110.22329   158.72245
   58    57 S   HC   _H7_    47     1.09446   108.56705   -42.61000
   59    49 S   OS   _O33    54     1.42722   110.06718    66.74142
   60    51 S   P2   _P5_    62     1.62972   121.69368    72.71025
   61    60 S   O2Z  _O52    63     1.51122   111.00787    11.05013
   62    60 S   O2Z  _O50    64     1.51291   108.29370   145.64183
   63    52 S   OS   _O47    71     1.63084    98.09565   167.88514
   64    63 S   HO   _H13    72     0.97884   115.88586   -77.40601
   65    57 S   OS   _O37    48     1.43246   107.31358  -158.12862
   66    59 S   P1   _P1_    55     1.61345   119.53209   145.10835
   67    66 S   O2Z  _O34    56     1.50005   115.64101    54.90558
   68    60 S   OS   _O51    65     1.62933    98.82889  -102.53815
   69    68 S   HO   _H14    66     0.98395   117.77761    75.55257
   70    65 S   P2   _P2_    49     1.63050   120.39812   158.99431
   71    70 S   O2Z  _O40    50     1.51223   110.25943   -50.89050
   72    70 S   O2Z  _O38    51     1.51052   109.54657    84.46094
   73    66 S   OS   _O35    57     1.61289   104.21085   -71.99400
   74    73 S   HO   _H9_    58     0.97874   118.18664   170.88387
   75    66 S   OS   _O36    59     1.61364   103.38641  -179.40455
   76    75 S   HO   _H10    60     0.97892   117.92207  -168.90215
   77    70 S   OS   _O39    52     1.63020    98.12663  -163.76492
   78    77 S   HO   _H11    53     0.97905   116.00443   -77.66817
  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  17   7  16   7   8  15   7   7   4   3   2
  12   6   7   4   3   2   1   1   8   3   7   4   3   2   1   1
   5   5   4   1   1   4   3   2   3   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    65    70    59    45    42    46  
   38    39    40    49    57    58    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    65    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    63    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    65    59    66    51    60    61    62    68    45    52  
   49    50    57    59    51    60    45  
   52    53    54    63    64    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    65    70    59    66    67    73    75    51    60  
   57    58    65    59    66    51  
   60    61    62    68    69    57    59  
   53    54    63    64  
   54    63    64  
   63    64  
   56  
    0  
   58    65    70    71    72    77    59    66  
   65    70    59  
   66    67    73    74    75    76    65  
   61    62    68    69  
   62    68    69  
   68    69  
   64  
    0  
   70    71    72    77    78  
   67    73    74    75    76  
   73    74    75    76  
   69  
    0  
   71    72    77    78  
   72    77    78  
   77    78  
   74    75    76  
   75  
   76  
    0  
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    70   230.000  1.697
   70    71   525.000  1.480
   70    72   525.000  1.480
   70    77   230.000  1.697
   77    78   553.000  0.945
   59    66   405.000  1.623
   66    67   675.000  1.490
   66    73   405.000  1.623
   66    75   405.000  1.623
   73    74   553.000  0.945
   75    76   553.000  0.945
   51    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    68   230.000  1.697
   68    69   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    63   230.000  1.697
   63    64   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60   100.00000  120.50000
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    65    50.00000  109.50000
   49    59    66    75.00000  119.24600
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    65    70   100.00000  120.50000
   65    57    58    35.00000  109.50000
   65    70    71   100.00000  108.23000
   65    70    72   100.00000  108.23000
   65    70    77    45.00000  102.60000
   70    77    78    45.00000  108.50000
   72    70    71   140.00000  119.90000
   77    70    71   100.00000  108.23000
   77    70    72   100.00000  108.23000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    66    67   100.00000  115.86100
   59    66    73   120.00000  102.38000
   59    66    75   120.00000  102.38000
   66    73    74    50.00000  113.86100
   66    75    76    50.00000  113.86100
   73    66    67   100.00000  115.86100
   75    66    67   100.00000  115.86100
   75    66    73   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  108.23000
   51    60    62   100.00000  108.23000
   51    60    68    45.00000  102.60000
   60    68    69    45.00000  108.50000
   62    60    61   140.00000  119.90000
   68    60    61   100.00000  108.23000
   68    60    62   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    63    45.00000  102.60000
   52    63    64    45.00000  108.50000
   54    52    53   140.00000  119.90000
   63    52    53   100.00000  108.23000
   63    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    65   0.56750  1.0 1.0
   29    33    57    65  -0.07550 -1.0 2.0
   29    33    57    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    57    65    70  -2.65550  1.0 1.0
   33    57    65    70  -0.22350 -1.0 2.0
   33    57    65    70   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    65   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    65   0.62750  1.0 1.0
   38    33    57    65  -0.30950 -1.0 2.0
   38    33    57    65   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    63   0.05050  1.0 1.0
   40    45    52    63  -1.30700 -1.0 2.0
   40    45    52    63   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    65   0.62750  1.0 1.0
   43    49    57    65  -0.30950 -1.0 2.0
   43    49    57    65   0.27300  1.0 3.0
   43    49    59    66  -2.65550  1.0 1.0
   43    49    59    66  -0.22350 -1.0 2.0
   43    49    59    66   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    62   0.00000  1.0 1.0
   43    51    60    68   0.05050  1.0 1.0
   43    51    60    68  -1.30700 -1.0 2.0
   43    51    60    68   0.91550  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    65    70  -2.65550  1.0 1.0
   49    57    65    70  -0.22350 -1.0 2.0
   49    57    65    70   0.24150  1.0 3.0
   49    59    66    67   0.00000  1.0 1.0
   49    59    66    73   0.91800  1.0 1.0
   49    59    66    73   0.22900 -1.0 2.0
   49    59    66    73   0.32050  1.0 3.0
   49    59    66    75   0.91800  1.0 1.0
   49    59    66    75   0.22900 -1.0 2.0
   49    59    66    75   0.32050  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    65   0.23400  1.0 3.0
   50    49    59    66   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    66  -2.65550  1.0 1.0
   57    49    59    66  -0.22350 -1.0 2.0
   57    49    59    66   0.24150  1.0 3.0
   57    65    70    71   0.00000  1.0 1.0
   57    65    70    72   0.00000  1.0 1.0
   57    65    70    77   0.05050  1.0 1.0
   57    65    70    77  -1.30700 -1.0 2.0
   57    65    70    77   0.91550  1.0 3.0
   58    57    65    70   0.03000  1.0 3.0
   65    70    77    78   0.00000  1.0 1.0
   71    70    77    78   0.00000  1.0 1.0
   72    70    77    78   0.00000  1.0 1.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    65   1.11900  1.0 1.0
   59    49    57    65  -1.16350 -1.0 2.0
   59    49    57    65  -0.34150  1.0 3.0
   59    66    73    74  -0.22900  1.0 1.0
   59    66    73    74   0.09450 -1.0 2.0
   59    66    73    74  -0.07800  1.0 3.0
   59    66    75    76  -0.22900  1.0 1.0
   59    66    75    76   0.09450 -1.0 2.0
   59    66    75    76  -0.07800  1.0 3.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    75    76   0.00000  1.0 1.0
   73    66    75    76  -0.22900  1.0 1.0
   73    66    75    76   0.09450 -1.0 2.0
   73    66    75    76  -0.07800  1.0 3.0
   75    66    73    74  -0.22900  1.0 1.0
   75    66    73    74   0.09450 -1.0 2.0
   75    66    73    74  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    68    69   0.00000  1.0 1.0
   61    60    68    69   0.00000  1.0 1.0
   62    60    68    69   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    63    64   0.00000  1.0 1.0
   53    52    63    64   0.00000  1.0 1.0
   54    52    63    64   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   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
END
