* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    149    215     438
    1     0 S   NP   _N1_     1    28.72079    92.58080   -20.71899
    2     1 S   H    _HN1     2     1.03001   100.33683    50.32696
    3     1 S   H    _H1_     3     1.02804    17.44378   165.19868
    4     1 S   H    _H2_     4     1.02825    95.79510   -59.06841
    5     1 S   CT   _CA1     5     1.50257   128.10868   176.67375
    6     5 S   HC   _HA1     6     1.09569   105.30993    55.42311
    7     5 S   CO3  _C1_     7     1.53719   112.52836   -64.89937
    8     7 S   O2Z  _O11     8     1.26346   115.05256   -43.36622
    9     7 S   O2Z  _O12     9     1.26254   114.90258   135.90248
   10     5 S   CT   _CB1    10     1.52911   106.99164   173.12265
   11    10 S   HC   HB11    11     1.09727   108.72383   -52.57744
   12    10 S   HC   HB12    12     1.09786   110.14088    63.70139
   13    10 S   CT   _CG1    13     1.52951   113.58287  -174.19370
   14    13 S   HC   HG11    14     1.09560   110.06244   -64.45161
   15    13 S   HC   HG12    15     1.09598   110.46928    54.72755
   16    13 S   C    _CD1    16     1.51964   111.44747   174.17486
   17    16 S   O    _OE1    17     1.22846   122.74781   -27.17320
   18    16 S   N    _N2_    18     1.38536   112.32296   154.43791
   19    18 S   H    _HN2    19     1.01580   119.21400     0.56821
   20    18 S   CT1  _CA2    20     1.46198   123.27098  -179.15189
   21    20 S   HC   _HA2    21     1.09589   109.14750   -13.63539
   22    20 S   C    _C2_    22     1.53390   108.45738  -128.84091
   23    22 S   O    _O2_    23     1.23018   122.24217  -146.05194
   24    20 S   CT   _CB2    32     1.53454   111.73895   108.83240
   25    24 S   HC   HB21    33     1.09654   109.62295    58.46303
   26    24 S   HC   HB22    34     1.09555   111.16816   176.03533
   27    22 S   N    _N3_    24     1.38510   113.33821    41.49811
   28    27 S   H    _HN3    25     1.01524   118.93624    -0.83016
   29    24 S   S    _SG2    35     1.82670   114.09030   -61.22742
   30    27 S   CT   _CA3    26     1.45426   123.35034   174.53431
   31    30 S   HC   HA31    27     1.09530   109.10340    27.07059
   32    30 S   HC   HA32    28     1.09489   107.16700   144.09880
   33    29 S   CT   _C15    36     1.82924    99.69395   -75.42821
   34    33 S   HC   _H20    37     1.09456   108.63235   -61.67493
   35    33 S   HC   _H21    38     1.09381   107.60318    55.35416
   36    30 S   CO3  _C3_    29     1.52948   113.18074   -96.27183
   37    36 S   O2Z  _O31    30     1.26396   115.47121   -42.59446
   38    36 S   O2Z  _O32    31     1.26362   114.93138   138.31926
   39    33 S   CT   _C10    39     1.53987   113.61164   175.19356
   40    39 S   HC   _H8_    40     1.09842   105.93515  -178.40259
   41    39 S   CT   _C11    41     1.53087   114.01343    62.36331
   42    41 S   HC   _H12    42     1.09491   110.09151   179.90721
   43    41 S   HC   _H13    43     1.09481   111.67664   -61.96967
   44    39 S   OS1  _O34    61     1.43099   108.01724   -60.66550
   45    41 S   OS   _O35    44     1.42089   109.63859    60.72448
   46    44 S   CO1  _C9_    62     1.43129   114.41182  -146.16919
   47    46 S   HC   _H7_    63     1.09549   108.91102   -51.18198
   48    45 S   P2   _P1_    45     1.63504   118.82020  -170.37794
   49    48 S   O2Z  _O37    46     1.51313   108.18000  -173.34834
   50    48 S   O2Z  _O36    47     1.51296   109.04762   -40.45880
   51    46 S   CT   _C8_    64     1.53365   109.07970  -169.66726
   52    51 S   HC   _H6_    65     1.09705   109.95131   174.57472
   53    48 S   OS   _O38    48     1.63536    99.60622    72.89351
   54    51 S   CT   _C7_    66     1.52955   110.32791   -65.07202
   55    54 S   HC   _H5_    67     1.09405   110.21395    70.11426
   56    51 S   OH5  _O41    82     1.42561   110.70342    56.07424
   57    56 S   HO   _H22    83     0.97241   107.81081    53.76906
   58    53 S   CT   _C12    49     1.42478   118.53683    71.07296
   59    58 S   HC   _H14    50     1.09427   108.97369   -50.70151
   60    58 S   HC   _H15    51     1.09504   108.14897    67.80731
   61    54 S   CT   _C6_    68     1.53290   110.60829   -52.55351
   62    61 S   HC   _H4_    69     1.09704   108.86508   -72.55041
   63    54 S   OH5  _O42    80     1.43124   110.09727  -173.63625
   64    63 S   HO   _H23    81     0.97245   107.91779    58.36214
   65    58 S   CT   _C13    52     1.52626   109.01455  -171.66063
   66    65 S   HC   _H9_    53     1.09510   110.60804    48.65393
   67    61 S   CT   _C5_    70     1.53449   111.68689    49.02171
   68    67 S   HC   _H3_    71     1.09665   110.56789    69.06093
   69    61 S   OH5  _O43    78     1.42735   109.40989   170.98563
   70    69 S   HO   _H24    79     0.97501   107.72807   -63.93011
   71    65 S   CT   _C14    54     1.52628   111.31636   171.99558
   72    71 S   HC   _H16    55     1.09492   111.18252    69.90418
   73    71 S   HC   _H17    56     1.09417   111.09522   -52.14359
   74    65 S   OH   _O40    59     1.43177   109.21838   -67.60301
   75    74 S   HO   _H19    60     0.97211   108.03739   -57.71066
   76    46 S   OS1  _O33    72     1.43197   113.02624    68.94562
   77    67 S   CT   _C4_    73     1.53037   111.30698  -171.48731
   78    77 S   HC   _H10    74     1.09495   110.99423    70.30051
   79    77 S   HC   _H11    75     1.09409   111.47822   -52.04171
   80    71 S   OH   _O39    57     1.42386   109.30639  -171.12779
   81    80 S   HO   _H18    58     0.97230   107.05867  -179.82306
   82    77 S   OH5  _O44    76     1.42506   109.08783  -171.03779
   83    82 S   HO   _H25    77     0.97235   107.01619  -179.84174
  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   7   5   4   3
  10   5   4   2   1   1  11   6   9   4   3   9   5  13   6   7
   3   2  12   7   7  13   7   4   1  10   5   4  12   7   3   1
   8   6   9   6   3   1   6   4   3   2   1   4   4   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    46  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    48    44    46    47    51    76  
   41    42    43    45    44    46  
   42    43    45    48    49    50    53    44    46  
   43    45    48    44  
   45    48    44  
   46    47    51    52    54    67    76    56    45  
   48    49    50    53    58  
   47    51    52    54    55    61    67    68    76    77    63    56    57  
   51    52    54    67    76    56  
   49    50    53    58    59    60    65  
   50    53    58  
   53    58  
   52    54    55    61    62    67    76    69    63    64    56    57  
   54    55    61    76    63    56    57  
   58    59    60    65    66    71    74  
   55    61    62    67    68    76    77    69    70    63    64    56    57  
   61    62    67    69    63    64    56  
   57    61    63    76  
    0  
   59    60    65    66    71    72    73    80    74    75  
   60    65    66    71    74  
   65    66    71    74  
   62    67    68    76    77    78    79    82    69    70    63    64  
   67    68    76    77    69    70    63  
   64    67    69  
    0  
   66    71    72    73    80    81    74    75  
   71    72    73    80    74    75  
   68    76    77    78    79    82    83    69    70  
   76    77    78    79    82    69  
   70    76    77  
    0  
   72    73    80    81    74    75  
   73    80    81    74  
   80    81    74  
   75    80  
    0  
   77    78    79    82  
   78    79    82    83  
   79    82    83  
   82    83  
   81  
    0  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   335.000  1.422
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    48   230.000  1.697
   48    49   525.000  1.480
   48    50   525.000  1.480
   48    53   230.000  1.697
   53    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    65   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    80   320.000  1.410
   80    81   553.000  0.945
   74    75   553.000  0.945
   44    46   370.000  1.399
   46    47   360.000  1.097
   46    51   255.000  1.525
   46    76   370.000  1.399
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    56   355.000  1.421
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    63   355.000  1.421
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   355.000  1.421
   67    68   340.000  1.090
   67    76   335.000  1.422
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   355.000  1.421
   82    83   580.000  0.967
   69    70   580.000  0.967
   63    64   580.000  0.967
   56    57   580.000  0.967
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    95.00000  107.88500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    46    90.00000  112.10700
   41    39    40    37.50000  110.70000
   41    45    48   100.00000  120.50000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   45    48    49   100.00000  108.23000
   45    48    50   100.00000  108.23000
   45    48    53    45.00000  102.60000
   48    53    58   100.00000  120.50000
   50    48    49   140.00000  119.90000
   53    48    49   100.00000  108.23000
   53    48    50   100.00000  108.23000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    65    50.00000  109.50000
   58    65    66    37.50000  110.70000
   58    65    71    58.35000  112.70000
   58    65    74    50.00000  109.50000
   60    58    59    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    80    50.00000  109.50000
   65    74    75    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    80    81    55.00000  108.50000
   73    71    72    33.00000  107.80000
   80    71    72    35.00000  109.50000
   80    71    73    35.00000  109.50000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   44    39    40    55.00000  108.98800
   44    39    41    95.00000  107.88500
   44    46    47    60.00000  105.75400
   44    46    51    90.00000  109.70700
   44    46    76   110.00000  113.16000
   46    51    52    45.00000  109.54000
   46    51    54    70.00000  111.10000
   46    51    56    90.00000  109.42000
   46    76    67    90.00000  112.10700
   51    46    47    45.00000  111.65000
   51    54    55    37.50000  110.70000
   51    54    61    58.35000  112.70000
   51    54    63    90.00000  111.45300
   51    56    57    65.00000  108.53500
   54    51    52    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    67    58.35000  112.70000
   54    61    69    90.00000  111.45300
   54    63    64    65.00000  108.53500
   61    54    55    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    76    95.00000  107.88500
   61    67    77    58.35000  112.70000
   61    69    70    65.00000  108.53500
   67    61    62    37.50000  110.70000
   67    77    78    37.50000  110.70000
   67    77    79    37.50000  110.70000
   67    77    82    90.00000  111.45300
   76    46    47    60.00000  105.75400
   76    46    51    90.00000  109.70700
   76    67    68    55.00000  108.98800
   77    67    68    37.50000  110.70000
   77    67    76    95.00000  107.88500
   77    82    83    65.00000  108.53500
   79    77    78    33.00000  107.80000
   82    77    78    60.00000  109.39000
   82    77    79    60.00000  109.39000
   69    61    62    60.00000  109.39000
   69    61    67    90.00000  111.45300
   63    54    55    60.00000  109.39000
   63    54    61    90.00000  111.45300
   56    51    52    60.00000  109.39000
   56    51    54    90.00000  111.45300
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    44    46   0.06250  1.0 1.0
   33    39    44    46  -0.01100 -1.0 2.0
   33    39    44    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    45    48  -2.65550  1.0 1.0
   39    41    45    48  -0.22350 -1.0 2.0
   39    41    45    48   0.24150  1.0 3.0
   39    44    46    47   0.37050  1.0 3.0
   39    44    46    51   0.06250  1.0 1.0
   39    44    46    51  -0.01100 -1.0 2.0
   39    44    46    51   0.28050  1.0 3.0
   39    44    46    76  -0.12700  1.0 1.0
   39    44    46    76  -1.16200 -1.0 2.0
   39    44    46    76   0.58800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    44    46   0.37050  1.0 3.0
   41    39    44    46   0.06250  1.0 1.0
   41    39    44    46  -0.01100 -1.0 2.0
   41    39    44    46   0.28050  1.0 3.0
   41    45    48    49   0.00000  1.0 1.0
   41    45    48    50   0.00000  1.0 1.0
   41    45    48    53   0.05050  1.0 1.0
   41    45    48    53  -1.30700 -1.0 2.0
   41    45    48    53   0.91550  1.0 3.0
   42    41    45    48   0.03000  1.0 3.0
   43    41    45    48   0.03000  1.0 3.0
   45    48    53    58   0.05050  1.0 1.0
   45    48    53    58  -1.30700 -1.0 2.0
   45    48    53    58   0.91550  1.0 3.0
   48    53    58    59   0.03000  1.0 3.0
   48    53    58    60   0.03000  1.0 3.0
   48    53    58    65  -2.65550  1.0 1.0
   48    53    58    65  -0.22350 -1.0 2.0
   48    53    58    65   0.24150  1.0 3.0
   49    48    53    58   0.00000  1.0 1.0
   50    48    53    58   0.00000  1.0 1.0
   53    58    65    66   0.23400  1.0 3.0
   53    58    65    71   0.62750  1.0 1.0
   53    58    65    71  -0.30950 -1.0 2.0
   53    58    65    71   0.27300  1.0 3.0
   53    58    65    74   3.69350  1.0 1.0
   53    58    65    74  -1.82950 -1.0 2.0
   58    65    71    72   0.15000  1.0 3.0
   58    65    71    73   0.15000  1.0 3.0
   58    65    71    80   0.86500  1.0 1.0
   58    65    71    80  -0.17500 -1.0 2.0
   58    65    71    80   0.20800  1.0 3.0
   58    65    74    75  -0.11600  1.0 1.0
   58    65    74    75  -0.09450 -1.0 2.0
   58    65    74    75   0.21250  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    71   0.15000  1.0 3.0
   59    58    65    74   0.23400  1.0 3.0
   60    58    65    66   0.15000  1.0 3.0
   60    58    65    71   0.15000  1.0 3.0
   60    58    65    74   0.23400  1.0 3.0
   65    71    80    81  -0.11600  1.0 1.0
   65    71    80    81  -0.09450 -1.0 2.0
   65    71    80    81   0.21250  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    80   0.23400  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   71    65    74    75  -0.11600  1.0 1.0
   71    65    74    75  -0.09450 -1.0 2.0
   71    65    74    75   0.21250  1.0 3.0
   72    71    80    81   0.19450  1.0 3.0
   73    71    80    81   0.19450  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    80   3.75450  1.0 1.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   1.11900  1.0 1.0
   44    39    41    45  -1.16350 -1.0 2.0
   44    39    41    45  -0.34150  1.0 3.0
   44    46    51    52   0.23400  1.0 3.0
   44    46    51    54   0.62750  1.0 1.0
   44    46    51    54  -0.30950 -1.0 2.0
   44    46    51    54   0.27300  1.0 3.0
   44    46    51    56   1.51850  1.0 1.0
   44    46    76    67  -0.70400  1.0 1.0
   44    46    76    67  -0.90350 -1.0 2.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    61   0.56750  1.0 1.0
   46    51    54    61  -0.07550 -1.0 2.0
   46    51    54    61   0.20000  1.0 3.0
   46    51    54    63  -0.47750  1.0 1.0
   46    51    56    57   0.29150  1.0 1.0
   46    51    56    57  -0.28350 -1.0 2.0
   46    51    56    57   0.43600  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    46    51    56   0.23400  1.0 3.0
   47    46    76    67   0.37050  1.0 3.0
   51    46    76    67   0.06250  1.0 1.0
   51    46    76    67  -0.01100 -1.0 2.0
   51    46    76    67   0.28050  1.0 3.0
   51    54    61    62   0.15000  1.0 3.0
   51    54   -61    67   0.56750  1.0 1.0
   51    54   -61    67  -0.07550 -1.0 2.0
   51    54   -61    67   0.20000  1.0 3.0
   51    54    61    69  -0.47750  1.0 1.0
   51    54    63    64   0.29150  1.0 1.0
   51    54    63    64  -0.28350 -1.0 2.0
   51    54    63    64   0.43600  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.15000  1.0 3.0
   52    51    54    63   0.23400  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   54    51    56    57   0.29150  1.0 1.0
   54    51    56    57  -0.28350 -1.0 2.0
   54    51    56    57   0.43600  1.0 3.0
   54    61    67    68   0.15000  1.0 3.0
   54    61    67    76   0.62750  1.0 1.0
   54    61    67    76  -0.30950 -1.0 2.0
   54    61    67    76   0.27300  1.0 3.0
   54    61    67    77   0.56750  1.0 1.0
   54    61    67    77  -0.07550 -1.0 2.0
   54    61    67    77   0.20000  1.0 3.0
   54    61    69    70   0.29150  1.0 1.0
   54    61    69    70  -0.28350 -1.0 2.0
   54    61    69    70   0.43600  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    67   0.15000  1.0 3.0
   55    54    61    69   0.23400  1.0 3.0
   55    54    63    64   0.19450  1.0 3.0
   61    54    63    64   0.29150  1.0 1.0
   61    54    63    64  -0.28350 -1.0 2.0
   61    54    63    64   0.43600  1.0 3.0
   61    67   -76    46   0.06250  1.0 1.0
   61    67   -76    46  -0.01100 -1.0 2.0
   61    67   -76    46   0.28050  1.0 3.0
   61    67    77    78   0.15000  1.0 3.0
   61    67    77    79   0.15000  1.0 3.0
   61    67    77    82  -0.47750  1.0 1.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    76   0.23400  1.0 3.0
   62    61    67    77   0.15000  1.0 3.0
   62    61    69    70   0.19450  1.0 3.0
   67    61    69    70   0.29150  1.0 1.0
   67    61    69    70  -0.28350 -1.0 2.0
   67    61    69    70   0.43600  1.0 3.0
   67    77    82    83   0.29150  1.0 1.0
   67    77    82    83  -0.28350 -1.0 2.0
   67    77    82    83   0.43600  1.0 3.0
   68    67    76    46   0.37050  1.0 3.0
   68    67    77    78   0.15000  1.0 3.0
   68    67    77    79   0.15000  1.0 3.0
   68    67    77    82   0.23400  1.0 3.0
   76    46    51    52   0.23400  1.0 3.0
   76    46   -51    54   0.62750  1.0 1.0
   76    46   -51    54  -0.30950 -1.0 2.0
   76    46   -51    54   0.27300  1.0 3.0
   76    46    51    56   1.51850  1.0 1.0
   76    67    77    78   0.23400  1.0 3.0
   76    67    77    79   0.23400  1.0 3.0
   76    67    77    82   1.51850  1.0 1.0
   77    67    76    46   0.06250  1.0 1.0
   77    67    76    46  -0.01100 -1.0 2.0
   77    67    76    46   0.28050  1.0 3.0
   78    77    82    83   0.19450  1.0 3.0
   79    77    82    83   0.19450  1.0 3.0
   69    61    67    68   0.23400  1.0 3.0
   69    61    67    76   1.51850  1.0 1.0
   69    61    67    77  -0.47750  1.0 1.0
   63    54    61    62   0.23400  1.0 3.0
   63    54    61    67  -0.47750  1.0 1.0
   63    54    61    69   3.77950  1.0 1.0
   56    51    54    55   0.23400  1.0 3.0
   56    51    54    61  -0.47750  1.0 1.0
   56    51    54    63   3.77950  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
   37    30    36    38  10.50000 -1.0 2.0
END
