* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    150    226     436
    1     0 S   NP   _N1_     1    29.53834    93.30310   -23.75417
    2     1 S   H    _HN1     2     1.03055    94.52023    34.11359
    3     1 S   H    _H1_     3     1.02819    16.87111   173.07913
    4     1 S   H    _H2_     4     1.02757   102.35724   -75.51115
    5     1 S   CT   _CA1     5     1.50025   126.98886   153.97698
    6     5 S   HC   _HA1     6     1.09558   105.36326    66.74045
    7     5 S   CO3  _C1_     7     1.53805   112.23809   -53.67551
    8     7 S   O2Z  _O11     8     1.26358   115.06094   -45.21383
    9     7 S   O2Z  _O12     9     1.26244   114.88767   133.92632
   10     5 S   CT   _CB1    10     1.52905   107.15105  -175.26203
   11    10 S   HC   HB11    11     1.09815   109.46403   -49.59049
   12    10 S   HC   HB12    12     1.09712   110.13953    66.91551
   13    10 S   CT   _CG1    13     1.52963   113.12969  -171.26396
   14    13 S   HC   HG11    14     1.09523   110.23863   -57.52469
   15    13 S   HC   HG12    15     1.09563   110.59809    61.81028
   16    13 S   C    _CD1    16     1.51732   110.73037  -178.61704
   17    16 S   O    _OE1    17     1.22821   122.57608   -31.97808
   18    16 S   N    _N2_    18     1.38438   112.47005   148.73360
   19    18 S   H    _HN2    19     1.01571   119.35688     3.29669
   20    18 S   CT1  _CA2    20     1.46007   123.08686  -175.06747
   21    20 S   HC   _HA2    21     1.09537   109.29973   -11.47885
   22    20 S   C    _C2_    22     1.53277   108.92169  -126.71354
   23    22 S   O    _O2_    23     1.23019   122.23161  -145.53151
   24    20 S   CT   _CB2    32     1.53402   111.28698   110.73989
   25    24 S   HC   HB21    33     1.09687   109.34539    60.44783
   26    24 S   HC   HB22    34     1.09499   111.15337   177.13522
   27    22 S   N    _N3_    24     1.38500   113.33851    42.22504
   28    27 S   H    _HN3    25     1.01520   118.98754    -0.97197
   29    24 S   S    _SG2    35     1.83361   115.00112   -58.83003
   30    27 S   CT   _CA3    26     1.45405   123.12268   174.12921
   31    30 S   HC   HA31    27     1.09542   108.90603    31.18786
   32    30 S   HC   HA32    28     1.09484   107.23781   148.19115
   33    29 S   CT   _C7_    36     1.83454   101.23199   -64.33157
   34    33 S   HC   _H3_    37     1.09381   109.10381    59.07220
   35    30 S   CO3  _C3_    29     1.52969   113.23676   -91.99468
   36    35 S   O2Z  _O31    30     1.26392   115.48971   -42.79568
   37    35 S   O2Z  _O32    31     1.26365   114.92719   138.09603
   38    33 S   CO4  _C6_    38     1.51626   108.67255   -60.43226
   39    38 S   O    _O34    39     1.22436   124.82941   -68.05963
   40    33 S   CT   _C8_    48     1.53782   111.28487   179.52770
   41    40 S   HC   _H9_    49     1.09955   109.36263   165.56585
   42    40 S   HC   _H10    50     1.09889   110.89111    50.87070
   43    38 S   OS   _O33    40     1.36507   109.50227   111.36002
   44    40 S   CA   _C9_    51     1.51083   114.24029   -74.18013
   45    43 S   CT   _C5_    41     1.43448   115.74699  -177.28286
   46    45 S   HC   _H7_    42     1.09519   109.27967   -66.08122
   47    45 S   HC   _H8_    43     1.09562   109.80742    54.29358
   48    44 S   CA   _C10    52     1.39932   120.84188   105.08405
   49    48 S   HA   _H11    53     1.08722   120.46302    -1.09504
   50    45 S   CT   _C4_    44     1.51566   108.06680   174.07229
   51    50 S   HC   _H4_    45     1.09526   110.56966   -59.14730
   52    50 S   HC   _H5_    46     1.09502   110.62166    59.04744
   53    50 S   HC   _H6_    47     1.09349   110.92530   179.97202
   54    48 S   CA   _C11    54     1.39715   120.44875   178.52170
   55    54 S   HA   _H12    55     1.08741   119.29073  -179.72305
   56    54 S   CA   _C12    56     1.39721   120.51982    -0.56890
   57    56 S   CA   _C13    57     1.39556   119.33153     1.97734
   58    57 S   HA   _H13    58     1.08554   121.75687   177.90016
   59    56 S   OS   _O35    61     1.36948   115.35902  -179.23947
   60    44 S   CA   _C14    59     1.40111   120.39865   -75.41933
   61    60 S   HA   _H14    60     1.08765   120.18314     1.33794
   62    59 S   CT   _C15    62     1.43320   116.24308   158.93861
   63    62 S   HC   _H15    63     1.09786   108.42519    78.42762
   64    62 S   HC   _H16    64     1.09744   110.65317   -40.20070
   65    62 S   CT   _C16    65     1.55673   109.73362  -161.87041
   66    65 S   CA   _C19    66     1.54121   110.02111    63.12882
   67    65 S   CT   _C17    77     1.54682   108.48239   -61.63821
   68    67 S   HC   _H17    78     1.09640   110.94138   -57.11909
   69    67 S   HC   _H18    79     1.09548   112.13423    62.73343
   70    67 S   HC   _H19    80     1.09648   111.43749  -176.30355
   71    65 S   CT   _C18    81     1.54637   108.62509  -177.36307
   72    71 S   HC   _H20    82     1.09636   111.08712    62.65054
   73    71 S   HC   _H21    83     1.09546   112.27764   -57.04820
   74    71 S   HC   _H22    84     1.09652   111.12858  -177.45901
   75    66 S   CA   _C20    67     1.40561   122.66825  -119.57307
   76    75 S   HA   _H23    68     1.08586   121.56219    -0.32686
   77    75 S   CA   _C21    69     1.39922   121.30671   179.56795
   78    77 S   HA   _H24    70     1.08656   119.77768  -179.95577
   79    77 S   CA   _C22    71     1.39062   120.32086    -0.00000
   80    79 S   HA   _H25    72     1.08581   120.19635  -179.96044
   81    79 S   CA   _C23    73     1.38983   119.59027     0.00000
   82    81 S   HA   _H26    74     1.08629   120.03298  -179.95154
   83    66 S   CA   _C24    75     1.40966   120.16770    59.96060
   84    83 S   HA   _H27    76     1.08736   120.66701     0.32264
  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   9   5   4   3
  11   7   2   1   1  10   3  10   4   3   7   9   6   5   4   8
   4   3   2   1   1   7   3   9   5   3   8   1   1  14   5   4
  15  17   9   3   2   1   5   2   1   1   8   4   6   3   5   3
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    40    41    42    44    48    60  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    45    46    47    50    40    41    42    44  
   43    45    40  
   41    42    44    48    49    54    57    60    61    43  
   42    44    48    60  
   44    48    60  
   45    46    47    50    51    52    53  
   48    49    54    55    56    57    58    60    61  
   46    47    50    51    52    53  
   47    50    51    52    53  
   50    51    52    53  
   49    54    55    56    57    60    61    59  
   54    55    56    60  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    60    59    62  
   56    57    59  
   57    58    60    61    59    62    63    64    65  
   58    60    61    59    62  
   60    61    59  
   62    63    64    65    66    67    71    60  
   61  
    0  
   63    64    65    66    75    83    67    68    69    70    71    72    73    74  
   64    65    66    67    71  
   65    66    67    71  
   66    75    76    77    81    83    84    67    68    69    70    71    72    73    74  
   75    76    77    78    79    81    82    83    84    67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74    75    83  
   69    70    71  
   70    71  
   71  
   72    73    74    75    83  
   73    74  
   74  
    0  
   76    77    78    79    80    81    83    84  
   77    78    79    83  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84  
   83    84  
   84  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.510
   44    48   469.000  1.400
   44    60   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   450.000  1.364
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   59    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   317.000  1.510
   65    67   268.000  1.529
   65    71   268.000  1.529
   66    75   469.000  1.400
   66    83   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    43    45    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    50    50.00000  109.50000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    48    70.00000  120.00000
   40    44    60    70.00000  120.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    48    49    35.00000  120.00000
   44    48    54    63.00000  120.00000
   44    60    57    63.00000  120.00000
   44    60    61    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    56    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    70.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    60    63.00000  120.00000
   56    59    62    75.00000  111.00000
   57    60    61    35.00000  120.00000
   60    44    48    63.00000  120.00000
   60    57    58    35.00000  120.00000
   59    56    57    70.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    50.00000  109.50000
   62    65    66    70.00000  112.17500
   62    65    67    58.35000  112.70000
   62    65    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    66    75    70.00000  120.00000
   65    66    83    70.00000  120.00000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   66    75    76    35.00000  120.00000
   66    75    77    63.00000  120.00000
   66    83    81    63.00000  120.00000
   66    83    84    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   83    66    75    63.00000  120.00000
   83    81    82    35.00000  120.00000
   67    65    66    70.00000  112.17500
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    65    66    70.00000  112.17500
   71    65    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    45   1.63150  1.0 1.0
   33    38    43    45   2.92000 -1.0 2.0
   33    40    44    48   0.04150 -1.0 2.0
   33    40    44    60   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44   0.43200  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    43    45    46   0.08050  1.0 3.0
   38    43    45    47   0.08050  1.0 3.0
   38    43    45    50  -0.25900  1.0 1.0
   38    43    45    50  -0.47000 -1.0 2.0
   38    43    45    50   0.11750  1.0 3.0
   39    38    43    45   3.00000 -1.0 2.0
   43    45    50    51   0.23400  1.0 3.0
   43    45    50    52   0.23400  1.0 3.0
   43    45    50    53   0.23400  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    54   3.62500 -1.0 2.0
   40    44    60    57   3.62500 -1.0 2.0
   40    44    60    61   3.62500 -1.0 2.0
   41    40    44    48   0.00000  1.0 1.0
   41    40    44    60   0.00000  1.0 1.0
   42    40    44    48   0.00000  1.0 1.0
   42    40    44    60   0.00000  1.0 1.0
   44    48    54    55   3.62500 -1.0 2.0
   44    48    54    56   3.62500 -1.0 2.0
   48    44    60    57   3.62500 -1.0 2.0
   48    44    60    61   3.62500 -1.0 2.0
   48    54   -56    57   3.62500 -1.0 2.0
   48    54    56    59   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    56   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    60   3.62500 -1.0 2.0
   54    56    59    62   1.63200 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57   -60    44   3.62500 -1.0 2.0
   56    57    60    61   3.62500 -1.0 2.0
   56    59    62    63   0.08050  1.0 3.0
   56    59    62    64   0.08050  1.0 3.0
   56    59    62    65  -0.32850  1.0 1.0
   56    59    62    65  -0.35800 -1.0 2.0
   56    59    62    65   0.33950  1.0 3.0
   57    56    59    62   1.63200 -1.0 2.0
   58    57    60    44   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   60    44    48    49   3.62500 -1.0 2.0
   60    44   -48    54   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    60   3.62500 -1.0 2.0
   59    62    65    66  -0.64350  1.0 1.0
   59    62    65    66  -0.04200 -1.0 2.0
   59    62    65    66   0.19800  1.0 3.0
   59    62    65    67   0.62750  1.0 1.0
   59    62    65    67  -0.30950 -1.0 2.0
   59    62    65    67   0.27300  1.0 3.0
   59    62    65    71   0.62750  1.0 1.0
   59    62    65    71  -0.30950 -1.0 2.0
   59    62    65    71   0.27300  1.0 3.0
   62    65    66    75   0.04150 -1.0 2.0
   62    65    66    83   0.04150 -1.0 2.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.15000  1.0 3.0
   62    65    67    70   0.15000  1.0 3.0
   62    65    71    72   0.15000  1.0 3.0
   62    65    71    73   0.15000  1.0 3.0
   62    65    71    74   0.15000  1.0 3.0
   63    62    65    66   0.43200  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    71   0.15000  1.0 3.0
   64    62    65    66   0.43200  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    71   0.15000  1.0 3.0
   65    66    75    76   3.62500 -1.0 2.0
   65    66    75    77   3.62500 -1.0 2.0
   65    66    83    81   3.62500 -1.0 2.0
   65    66    83    84   3.62500 -1.0 2.0
   66    65    67    68   0.43200  1.0 3.0
   66    65    67    69   0.43200  1.0 3.0
   66    65    67    70   0.43200  1.0 3.0
   66    65    71    72   0.43200  1.0 3.0
   66    65    71    73   0.43200  1.0 3.0
   66    65    71    74   0.43200  1.0 3.0
   66    75    77    78   3.62500 -1.0 2.0
   66    75    77    79   3.62500 -1.0 2.0
   75    66    83    81   3.62500 -1.0 2.0
   75    66    83    84   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77   -79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    66   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   82    81    83    66   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    66    75    76   3.62500 -1.0 2.0
   83    66   -75    77   3.62500 -1.0 2.0
   67    65    66    75   0.04150 -1.0 2.0
   67    65    66    83   0.04150 -1.0 2.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.15000  1.0 3.0
   71    65    66    75   0.04150 -1.0 2.0
   71    65    66    83   0.04150 -1.0 2.0
   71    65    67    68   0.15000  1.0 3.0
   71    65    67    69   0.15000  1.0 3.0
   71    65    67    70   0.15000  1.0 3.0
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
   33    43    38    39  10.50000 -1.0 2.0
   48    60    44    40   4.00000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   56    55    54    48   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   60    58    57    56   1.10000 -1.0 2.0
   57    61    60    44   1.10000 -1.0 2.0
   75    83    66    65   4.00000 -1.0 2.0
   77    76    75    66   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    66   1.10000 -1.0 2.0
END
