* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.78823    97.43623   -23.68679
    2     1 S   H    _HN1     2     1.02794   110.25754   -96.91758
    3     1 S   H    _H1_     3     1.02948    64.89615     4.51206
    4     1 S   H    _H2_     4     1.02827    43.74866   168.03855
    5     1 S   CT   _CA1     5     1.50137   136.15531    98.41777
    6     5 S   HC   _HA1     6     1.09575   105.15029   103.14686
    7     5 S   CO3  _C1_     7     1.53768   112.44562   -17.02038
    8     7 S   O2Z  _O11     8     1.26376   115.00327   -42.66610
    9     7 S   O2Z  _O12     9     1.26237   114.94559   136.28670
   10     5 S   CT   _CB1    10     1.53057   107.39279  -138.91916
   11    10 S   HC   HB11    11     1.09841   109.30238   -49.46154
   12    10 S   HC   HB12    12     1.09809   110.48942    67.12766
   13    10 S   CT   _CG1    13     1.53017   112.64640  -170.40388
   14    13 S   HC   HG11    14     1.09571   110.71320   -67.64834
   15    13 S   HC   HG12    15     1.09671   109.70562    51.59497
   16    13 S   C    _CD1    16     1.51823   112.00558   172.04322
   17    16 S   O    _OE1    17     1.22755   123.17961    11.80726
   18    16 S   N    _N2_    18     1.38632   111.81229  -168.06521
   19    18 S   H    _HN2    19     1.01569   119.03549     0.86818
   20    18 S   CT1  _CA2    20     1.46264   123.46130   176.87363
   21    20 S   HC   _HA2    21     1.09740   109.22879     9.17183
   22    20 S   C    _C2_    22     1.53736   109.10089  -106.39964
   23    22 S   O    _O2_    23     1.23097   122.22728  -150.43387
   24    20 S   CT   _CB2    32     1.53427   111.49923   131.14523
   25    24 S   HC   HB21    33     1.09519   109.63459    56.72361
   26    24 S   HC   HB22    34     1.09456   109.79613   175.58545
   27    22 S   N    _N3_    24     1.38309   113.99174    37.12074
   28    27 S   H    _HN3    25     1.01526   119.62735    -3.21565
   29    24 S   S    _SG2    35     1.83357   111.10278   -64.86752
   30    27 S   CT   _CA3    26     1.45276   123.27502   177.22117
   31    30 S   HC   HA31    27     1.09548   107.51654   -64.85290
   32    30 S   HC   HA32    28     1.09557   107.99485    51.60527
   33    29 S   CT   _C18    36     1.85505   101.74568   171.90115
   34    33 S   OM   _O38    37     1.31954   109.87959   -66.00614
   35    30 S   CO3  _C3_    29     1.52971   114.04997   173.62127
   36    35 S   O2Z  _O31    30     1.26385   116.09185     0.13417
   37    35 S   O2Z  _O32    31     1.26426   114.41415  -179.81337
   38    33 S   CO4  _C17    38     1.54326   108.15703    52.94631
   39    38 S   O    _O33    39     1.23583   122.64723  -105.40852
   40    33 S   CT   _C19    72     1.55647   111.58141   173.26620
   41    40 S   HC   _H4_    73     1.10319   108.89799   175.39130
   42    38 S   CT   _C16    40     1.54436   117.02026    71.03830
   43    42 S   HC   _H3_    41     1.10062   104.97925   -66.43670
   44    40 S   C    _C23    74     1.54217   113.72389    57.93265
   45    44 S   O    _O37    75     1.22874   124.27685   -88.82329
   46    42 S   CT   _C15    42     1.53774   111.32066   178.89784
   47    46 S   HC   _H11    43     1.09779   109.66322   162.38254
   48    46 S   HC   _H12    44     1.09674   107.78102    46.39621
   49    44 S   N    _N4_    76     1.37797   113.58319    91.09453
   50    49 S   H    _H13    77     1.01433   121.97405    -4.53527
   51    49 S   H    _H14    78     1.01314   120.42843  -179.77272
   52    46 S   CA   _C14    45     1.51551   114.45293   -76.24957
   53    52 S   CA   _C13    46     1.40447   120.70329   -20.89975
   54    53 S   CA   _C12    47     1.41122   119.39039   177.94205
   55    53 S   CO4  _C22    66     1.50677   120.04963    -2.39065
   56    55 S   O    _O35    67     1.23229   119.34403   177.87275
   57    54 S   CA   _C11    48     1.42437   122.52668    -0.36154
   58    54 S   OH   _O39    64     1.37736   120.64695   179.92087
   59    58 S   HO   _H15    65     0.97239   109.72004    -0.73168
   60    42 S   CT   _C21    68     1.52854   111.14150    53.23474
   61    60 S   OM   _O36    69     1.32181   110.46940  -170.58078
   62    57 S   CA   _C6_    49     1.41929   117.80206     1.81467
   63    60 S   CO4  _C20    70     1.54394   109.63655   -51.09315
   64    63 S   O    _O34    71     1.23388   123.13683  -130.26142
   65    62 S   CA   _C7_    50     1.41880   118.05429  -178.98722
   66    65 S   HA   _H8_    51     1.08775   121.02391   178.29981
   67    52 S   CA   _C5_    59     1.42195   119.89229   160.66431
   68    65 S   CA   _C8_    52     1.39341   122.74150    -0.94108
   69    68 S   HA   _H9_    53     1.08595   120.09803  -179.96574
   70    67 S   CT   _C4_    60     1.51808   119.75857     3.00218
   71    70 S   HC   _H5_    61     1.09423   110.00981   -98.58880
   72    70 S   HC   _H6_    62     1.09310   112.84410    23.09642
   73    70 S   HC   _H7_    63     1.09478   111.12068   139.65850
   74    68 S   CA   _C9_    54     1.38069   119.56264     0.17804
   75    74 S   HA   _H10    55     1.08596   119.45854  -179.95154
   76    57 S   CA   _C10    56     1.42845   124.47205  -178.26980
   77    76 S   OH   _O40    57     1.37467   120.15970    -0.22642
   78    77 S   HO   _H16    58     0.97154   109.40498   180.00000
  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
  14   7   2   1   1  14   5  12   6  13   8   7   4  12   5   4
   3   1   1  14  13  12   8   3  13   3   1   3   2  12   1   1
   8   4   6   5   3   3   2   1   1   4   2   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    42    63    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    63    64    40    41    44    45    49  
   38    39    42    63    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    61    63    40    41    44  
   42    43    46    60    40  
   41    44    45    49    50    51    42    55    60    61    63    64  
   44    45    49    60    63    64  
   43    46    47    48    52    53    67    55    56    60    61    63    64  
   46    47    48    52    55    60    61    63  
   45    49    50    51    60    63    64  
   49    50    51    63  
   47    48    52    53    54    62    67    70    55    60    61    63  
   48    52    53    67    60  
   52    53    67    60  
   50    51    63  
   51  
    0  
   53    54    57    62    65    67    70    71    72    73    58    55    56    60  
   54    57    62    76    67    70    58    59    55    56    60    61    63  
   57    62    65    74    76    77    67    58    59    55    56    60  
   56    60    61    63    64    57    58    67  
   60    61    63  
   62    65    66    68    74    75    76    77    78    67    70    58    59  
   59    62    76  
    0  
   61    63    64  
   63    64  
   65    66    68    69    74    76    77    67    70    71    72    73  
   64  
    0  
   66    68    69    74    75    76    67    70  
   68    69    74    67  
   70    71    72    73    68    76  
   69    74    75    76    77  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76    77  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    62   469.000  1.400
   57    76   469.000  1.400
   62    65   469.000  1.400
   62    67   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   67    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   570.000  1.307
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    63    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    61    50.00000  109.50000
   42    60    63    63.00000  111.10000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    67    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    67    62    63.00000  120.00000
   52    67    70    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    62    63.00000  120.00000
   54    57    76    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    62    65    63.00000  120.00000
   57    62    67    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    67    70    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    74    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    57    62    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   67    52    53    63.00000  120.00000
   67    62    65    63.00000  120.00000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    61    90.00000  108.74100
   55    60    63    75.00000  107.99600
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    63    64    80.00000  120.40000
   60    63    40    70.00000  116.00000
   63    60    61    90.00000  108.74100
   63    40    41    35.00000  109.50000
   63    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    63    64    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    63   0.56750  1.0 1.0
   29    33    40    63  -0.07550 -1.0 2.0
   29    33    40    63   0.20000  1.0 3.0
   29    33    40    41   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    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    63  -0.09450  1.0 1.0
   34    33    40    63  -1.12950 -1.0 2.0
   34    33    40    63   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    63   0.11950  1.0 1.0
   38    33    40    63   0.20300 -1.0 2.0
   38    33    40    63  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42    60    61  -0.09450  1.0 1.0
   38    42    60    61  -1.12950 -1.0 2.0
   38    42    60    61   0.54000  1.0 3.0
   38    42   -60    63   0.11950  1.0 1.0
   38    42   -60    63   0.20300 -1.0 2.0
   38    42   -60    63  -0.70800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    67   0.04150 -1.0 2.0
   42    60    63    64   0.30150 -1.0 2.0
   42    60    63    40   0.60050  1.0 1.0
   42    60    63    40   0.05600 -1.0 2.0
   42    60    63    40   0.26150  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    61   0.23400  1.0 3.0
   43    42    60    63  -0.11250  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    61   0.62750  1.0 1.0
   46    42    60    61  -0.30950 -1.0 2.0
   46    42    60    61   0.27300  1.0 3.0
   46    42    60    63  -0.95700  1.0 1.0
   46    42    60    63  -0.18200 -1.0 2.0
   46    42    60    63   0.29450  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    67    62   3.62500 -1.0 2.0
   46    52    67    70   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    67   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    67   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    67    70    71   0.00000  1.0 1.0
   52    67    70    72   0.00000  1.0 1.0
   52    67    70    73   0.00000  1.0 1.0
   53    52    67    62   3.62500 -1.0 2.0
   53    52    67    70   3.62500 -1.0 2.0
   53    54   -57    62   3.62500 -1.0 2.0
   53    54    57    76   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    61   0.65300  1.0 1.0
   53    55    60    61  -0.03850 -1.0 2.0
   53    55    60    61   0.33900  1.0 3.0
   53    55    60    63   0.65300  1.0 1.0
   53    55    60    63  -0.03850 -1.0 2.0
   53    55    60    63   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    62    65   3.62500 -1.0 2.0
   54    57    62    67   3.62500 -1.0 2.0
   54    57    76    74   3.62500 -1.0 2.0
   54    57    76    77   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    62    65    66   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   57    62   -67    52   3.62500 -1.0 2.0
   57    62    67    70   3.62500 -1.0 2.0
   57    76    77    78   0.84100 -1.0 2.0
   62    57    76    74   3.62500 -1.0 2.0
   62    57    76    77   3.62500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65   -68    74   3.62500 -1.0 2.0
   62    67    70    71   0.00000  1.0 1.0
   62    67    70    72   0.00000  1.0 1.0
   62    67    70    73   0.00000  1.0 1.0
   65    62    67    52   3.62500 -1.0 2.0
   65    62    67    70   3.62500 -1.0 2.0
   65    68    74    75   3.62500 -1.0 2.0
   65    68    74    76   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    74   3.62500 -1.0 2.0
   68    74   -76    57   3.62500 -1.0 2.0
   68    74    76    77   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57   -62    65   3.62500 -1.0 2.0
   76    57    62    67   3.62500 -1.0 2.0
   67    52   -53    54   3.62500 -1.0 2.0
   67    52    53    55   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    68   3.62500 -1.0 2.0
   58    54    57    62   3.62500 -1.0 2.0
   58    54    57    76   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   0.33900  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    61   0.30150 -1.0 2.0
   56    55    60    63   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    63   -40    33   0.60050  1.0 1.0
   60    63   -40    33   0.05600 -1.0 2.0
   60    63   -40    33   0.26150  1.0 3.0
   60    63    40    41   0.00000  1.0 1.0
   60    63    40    44   0.65300  1.0 1.0
   60    63    40    44  -0.03850 -1.0 2.0
   60    63    40    44   0.33900  1.0 3.0
   61    60    63    64   0.30150 -1.0 2.0
   61    60    63    40   0.55300  1.0 1.0
   61    60    63    40   1.25850 -1.0 2.0
   61    60    63    40  -0.23600  1.0 3.0
   63    40    44    45   0.30150 -1.0 2.0
   63    40    44    49   0.00000  1.0 1.0
   64    63    40    33   0.30150 -1.0 2.0
   64    63    40    41   0.00000  1.0 1.0
   64    63    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    67    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   62    76    57    54   4.00000 -1.0 2.0
   65    67    62    57   4.00000 -1.0 2.0
   68    66    65    62   1.10000 -1.0 2.0
   74    69    68    65   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   62    70    67    52   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    63    64  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
