* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    148    246     445
    1     0 S   NP   _N1_     1    29.11780   100.78931   -20.76722
    2     1 S   H    _HN1     2     1.02781    86.35110   -86.79885
    3     1 S   H    _H1_     3     1.02955    58.18325    27.43281
    4     1 S   H    _H2_     4     1.02837    63.69121   161.20125
    5     1 S   CT   _CA1     5     1.50140   161.16471    84.24697
    6     5 S   HC   _HA1     6     1.09577   105.18268   128.21887
    7     5 S   CO3  _C1_     7     1.53710   112.36201     8.11779
    8     7 S   O2Z  _O11     8     1.26371   115.05029   -43.84620
    9     7 S   O2Z  _O12     9     1.26234   114.92905   135.36101
   10     5 S   CT   _CB1    10     1.53104   107.41121  -113.95343
   11    10 S   HC   HB11    11     1.09826   109.14136   -50.64600
   12    10 S   HC   HB12    12     1.09817   110.48332    65.83868
   13    10 S   CT   _CG1    13     1.53061   112.81924  -171.77455
   14    13 S   HC   HG11    14     1.09545   110.49546   -66.22100
   15    13 S   HC   HG12    15     1.09660   109.93563    52.93360
   16    13 S   C    _CD1    16     1.51900   112.27278   173.00597
   17    16 S   O    _OE1    17     1.22761   123.20086    -1.87053
   18    16 S   N    _N2_    18     1.38545   111.80695   178.64116
   19    18 S   H    _HN2    19     1.01556   119.04632     3.34439
   20    18 S   CT1  _CA2    20     1.45965   122.92990   175.78262
   21    20 S   HC   _HA2    21     1.09721   109.08341    21.33786
   22    20 S   C    _C2_    22     1.52924   106.67601   -95.55500
   23    22 S   O    _O2_    23     1.23001   123.00088   -27.77067
   24    20 S   CT   _CB2    32     1.53207   112.17730   144.76193
   25    24 S   HC   HB21    33     1.09429   109.76655    53.39260
   26    24 S   HC   HB22    34     1.09526   109.98952   171.93786
   27    22 S   N    _N3_    24     1.38498   112.65469   154.80209
   28    27 S   H    _HN3    25     1.01663   120.34111    -1.46887
   29    24 S   S    _SG2    35     1.83277   110.38145   -68.78819
   30    27 S   CT   _CA3    26     1.45351   122.40746   178.72420
   31    30 S   HC   HA31    27     1.09570   107.65185   -58.86442
   32    30 S   HC   HA32    28     1.09569   107.73287    57.42226
   33    29 S   CT   _C18    36     1.88896   102.31608   163.90158
   34    33 S   OM   _O37    37     1.32393   108.34582    49.61597
   35    30 S   CO3  _C3_    29     1.52876   114.43441   179.29003
   36    35 S   O2Z  _O31    30     1.26321   116.11176    -1.15893
   37    35 S   O2Z  _O32    31     1.26453   114.38880   178.86875
   38    33 S   CM   _C19    38     1.54280   107.40944   166.23602
   39    33 S   CT   _C17    70     1.58381   108.74598   -70.95155
   40    39 S   HC   _H4_    71     1.09709   109.89228    26.00901
   41    38 S   CMA  _C21    39     1.36501   127.19703   120.36339
   42    41 S   OM   _O34    40     1.26699   130.17060   178.95003
   43    39 S   NT   _N5_    72     1.48090   113.78243   142.29197
   44    43 S   H    _H16    73     1.01956   108.13184   -45.70529
   45    43 S   H    _H17    74     1.01736   109.75128  -162.69848
   46    38 S   C    _C20    77     1.50922   117.98014   -60.22268
   47    46 S   O    _O33    78     1.22671   122.63238    83.63882
   48    41 S   CT   _C22    41     1.54181   117.96707     0.39762
   49    46 S   N    _N4_    79     1.37536   113.08913   -97.12476
   50    49 S   H    _H13    80     1.01411   121.44919     0.74834
   51    49 S   H    _H14    81     1.01219   120.72649  -179.50347
   52    48 S   CO4  _C23    42     1.54838   116.35339  -153.00831
   53    52 S   O    _O35    43     1.23240   121.41041   -91.26061
   54    48 S   OH   _O36    75     1.44146   107.23421    93.00256
   55    54 S   HO   _H15    76     0.97353   106.45694    50.08984
   56    52 S   CA   _C13    44     1.49741   119.53385    88.82734
   57    56 S   CA   _C14    45     1.39948   119.56006    10.57354
   58    56 S   CA   _C12    56     1.41055   120.89686  -170.27276
   59    57 S   CA   _C5_    46     1.42117   119.39988  -177.57715
   60    58 S   OH   _O38    57     1.37725   120.54952     1.60657
   61    60 S   HO   _H18    58     0.97264   109.66877     0.42613
   62    57 S   CT   _C15    65     1.51134   120.56470    -0.30390
   63    62 S   HC   _H11    66     1.09691   109.54879   141.42721
   64    62 S   HC   _H12    67     1.09219   105.81821  -102.01989
   65    59 S   CA   _C6_    47     1.42957   120.79610    -6.23593
   66    59 S   CT   _C4_    61     1.51735   119.60425   175.42363
   67    66 S   HC   _H5_    62     1.09441   111.30276  -140.94195
   68    66 S   HC   _H6_    63     1.09320   112.83467   -24.28254
   69    66 S   HC   _H7_    64     1.09333   109.68552    97.18447
   70    48 S   CT   _C16    68     1.53483   113.51669   -27.31085
   71    70 S   HC   _H3_    69     1.10199   108.45584   171.71350
   72    65 S   CA   _C7_    48     1.41865   122.08147  -174.63308
   73    72 S   HA   _H8_    49     1.08824   121.03971     1.64853
   74    72 S   CA   _C8_    50     1.39332   122.66668  -179.16631
   75    74 S   HA   _H9_    51     1.08599   120.06043   179.97202
   76    74 S   CA   _C9_    52     1.38104   119.57824    -0.17583
   77    76 S   HA   _H10    53     1.08595   119.43837   179.95154
   78    76 S   CA   _C10    54     1.39584   119.32727    -0.48295
   79    65 S   CA   _C11    55     1.41940   119.78813     5.12239
   80    78 S   OH   _O39    59     1.37460   117.28867  -179.43837
   81    80 S   HO   _H19    60     0.97153   109.37962    -0.47847
  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
  16   7   2   1   1  14  15   7  13   5   6   2   1   5   3  12
   2   1   1  12   5   5   1  13  15  10  14   4   1   6   3   2
  12   5   2   1   1   1   1   7   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    70    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    62    70    71    39    40    43    44    45    46    47    49  
   38    41    70    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    52    70    39    40    43    54    46    47    49    50    51  
   40    43    44    45    54    46    41    48    52    57    62    63    64    70    71  
   43    44    45    48    62    70    71  
   42    48    52    53    56    62    70    71    54    55    46    47    49  
   48    52    70    54    46  
   44    45    48    62    70    71  
   45    70  
   70  
   47    49    50    51    48  
   49    50    51  
   52    53    56    57    58    62    63    64    70    71    54    55  
   50    51  
   51  
    0  
   53    56    57    59    79    58    60    62    70    71    54    55  
   56    57    58    70    54  
   55    56    62    70    71  
   70  
   57    59    65    78    79    58    60    61    66    62    63    64    70  
   59    65    72    79    58    60    66    67    68    69    62    63    64    70    71  
   60    61    80    62    59    65    72    76    78    79  
   65    72    73    74    78    79    66    67    68    69    62    63    64    70  
   61    65    78    79  
   79  
   63    64    70    71    65    66  
   64    70    71  
   70    71  
   72    73    74    75    76    78    79    80    66    67    68    69  
   67    68    69    72    79  
   68    69  
   69  
    0  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76    79  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   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  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    46   410.000  1.444
   41    42   745.000  1.250
   41    48   270.000  1.512
   48    52   317.000  1.522
   48    70   268.000  1.529
   48    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    58   469.000  1.400
   57    59   469.000  1.400
   57    62   317.000  1.510
   59    65   469.000  1.400
   59    66   317.000  1.510
   65    72   469.000  1.400
   65    79   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    80   450.000  1.364
   79    58   469.000  1.400
   58    60   450.000  1.364
   60    61   553.000  0.945
   80    81   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    44   434.000  1.010
   43    45   434.000  1.010
   54    55   553.000  0.945
   46    47   570.000  1.229
   46    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    46    70.00000  119.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    48    65.00000  122.18000
   38    46    47    80.00000  125.30000
   38    46    49    80.00000  111.56200
   41    48    52    70.00000  109.06800
   41    48    70    70.00000  112.02700
   41    48    54    90.00000  110.39200
   48    41    42    85.00000  112.85300
   48    52    53    80.00000  120.40000
   48    52    56    65.00000  115.47100
   48    70    62    58.35000  112.70000
   48    70    71    37.50000  110.70000
   48    70    39    58.35000  112.70000
   48    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    58    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    59    63.00000  120.00000
   56    57    62    70.00000  120.00000
   56    58    79    63.00000  120.00000
   56    58    60    70.00000  120.00000
   57    59    65    63.00000  120.00000
   57    59    66    70.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    70    70.00000  112.17500
   59    65    72    63.00000  120.00000
   59    65    79    63.00000  120.00000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   65    72    73    35.00000  120.00000
   65    72    74    63.00000  120.00000
   65    79    78    63.00000  120.00000
   65    79    58    63.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    80    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    58    63.00000  120.00000
   78    80    81    35.00000  113.00000
   79    65    72    63.00000  120.00000
   79    58    60    70.00000  120.00000
   58    56    57    63.00000  120.00000
   58    60    61    35.00000  113.00000
   80    78    79    70.00000  120.00000
   66    59    65    70.00000  120.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   62    57    59    70.00000  120.00000
   62    70    71    37.50000  110.70000
   62    70    39    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    48    52    63.00000  111.10000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    70    71    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    43.60000  106.40000
   54    48    52    90.00000  109.61100
   54    48    70    50.00000  109.50000
   46    38    41    60.00000  120.04000
   46    49    50    35.00000  119.80000
   46    49    51    35.00000  119.80000
   49    46    47    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    46   0.09700  1.0 1.0
   29    33    38    46   0.15600 -1.0 2.0
   29    33    38    46  -0.50800  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    46    47  -0.64400  1.0 1.0
   33    38    46    47   0.26850 -1.0 2.0
   33    38    46    49   1.59650  1.0 1.0
   33    38    46    49   0.42750 -1.0 2.0
   33    38    46    49  -0.48350  1.0 3.0
   33    39    43    44  -0.05950  1.0 1.0
   33    39    43    44   0.08850 -1.0 2.0
   33    39    43    44   0.11750  1.0 3.0
   33    39    43    45  -0.05950  1.0 1.0
   33    39    43    45   0.08850 -1.0 2.0
   33    39    43    45   0.11750  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    46   0.09700  1.0 1.0
   34    33    38    46   0.15600 -1.0 2.0
   34    33    38    46  -0.50800  1.0 3.0
   34    33    39    70   0.62750  1.0 1.0
   34    33    39    70  -0.30950 -1.0 2.0
   34    33    39    70   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    70   0.34400  1.0 1.0
   38    33    39    70   0.09450 -1.0 2.0
   38    33    39    70   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    48    52  -0.51250  1.0 1.0
   38    41    48    52  -0.88800 -1.0 2.0
   38    41    48    52   0.08850  1.0 3.0
   38    41   -48    70   0.09850  1.0 1.0
   38    41   -48    70   0.15250 -1.0 2.0
   38    41   -48    70  -0.50650  1.0 3.0
   38    41    48    54   0.67800  1.0 1.0
   38    41    48    54   0.47050 -1.0 2.0
   38    41    48    54  -0.62500  1.0 3.0
   38    46    49    50   2.56700 -1.0 2.0
   38    46    49    51   2.56700 -1.0 2.0
   41    38    46    47   1.00000 -1.0 2.0
   41    38    46    49   0.49500  1.0 1.0
   41    38    46    49   1.31600 -1.0 2.0
   41    38    46    49  -0.02300  1.0 3.0
   41    48    52    53   0.30150 -1.0 2.0
   41    48    52    56   0.65300  1.0 1.0
   41    48    52    56  -0.03850 -1.0 2.0
   41    48    52    56   0.33900  1.0 3.0
   41    48    70    62   0.34400  1.0 1.0
   41    48    70    62   0.09450 -1.0 2.0
   41    48    70    62   0.11100  1.0 3.0
   41    48    70    71   0.15000  1.0 3.0
   41    48    70    39   0.34400  1.0 1.0
   41    48    70    39   0.09450 -1.0 2.0
   41    48    70    39   0.11100  1.0 3.0
   41    48    54    55  -0.07800  1.0 1.0
   41    48    54    55  -0.21500 -1.0 2.0
   41    48    54    55  -0.03150  1.0 3.0
   42    41    48    52   0.09700  1.0 1.0
   42    41    48    52   0.15600 -1.0 2.0
   42    41    48    52  -0.50800  1.0 3.0
   42    41    48    70   0.09700  1.0 1.0
   42    41    48    70   0.15600 -1.0 2.0
   42    41    48    70  -0.50800  1.0 3.0
   42    41    48    54   0.09700  1.0 1.0
   42    41    48    54   0.15600 -1.0 2.0
   42    41    48    54  -0.50800  1.0 3.0
   48    52    56    57   2.26350  1.0 1.0
   48    52    56    57   0.76750 -1.0 2.0
   48    52    56    57   0.22500  1.0 3.0
   48    52    56    58   2.26350  1.0 1.0
   48    52    56    58   0.76750 -1.0 2.0
   48    52    56    58   0.22500  1.0 3.0
   48    70   -39    33   0.56750  1.0 1.0
   48    70   -39    33  -0.07550 -1.0 2.0
   48    70   -39    33   0.20000  1.0 3.0
   48    70    39    40   0.15000  1.0 3.0
   48    70    39    43   1.85550  1.0 1.0
   48    70    39    43  -0.84100 -1.0 2.0
   52    48    70    62  -0.95700  1.0 1.0
   52    48    70    62  -0.18200 -1.0 2.0
   52    48    70    62   0.29450  1.0 3.0
   52    48    70    71  -0.11250  1.0 3.0
   52    48    70    39  -0.95700  1.0 1.0
   52    48    70    39  -0.18200 -1.0 2.0
   52    48    70    39   0.29450  1.0 3.0
   52    48    54    55   0.91850  1.0 1.0
   52    48    54    55   0.57950  1.0 3.0
   52    56    57    59   3.62500 -1.0 2.0
   52    56   -57    62   3.62500 -1.0 2.0
   52    56    58    79   3.62500 -1.0 2.0
   52    56    58    60   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    58   1.05000 -1.0 2.0
   56    57    59    65   3.62500 -1.0 2.0
   56    57    59    66   3.62500 -1.0 2.0
   56    57    62    63   0.00000  1.0 1.0
   56    57    62    64   0.00000  1.0 1.0
   56    57    62    70   0.04150 -1.0 2.0
   56    58    60    61   0.84100 -1.0 2.0
   57    56    58    79   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   57    59    65    72   3.62500 -1.0 2.0
   57    59   -65    79   3.62500 -1.0 2.0
   57    59    66    67   0.00000  1.0 1.0
   57    59    66    68   0.00000  1.0 1.0
   57    59    66    69   0.00000  1.0 1.0
   57    62   -70    48  -0.03700  1.0 1.0
   57    62   -70    48   0.37200 -1.0 2.0
   57    62   -70    48  -0.47300  1.0 3.0
   57    62    70    71   0.43200  1.0 3.0
   57    62    70    39  -0.03700  1.0 1.0
   57    62    70    39   0.37200 -1.0 2.0
   57    62    70    39  -0.47300  1.0 3.0
   59    57    62    63   0.00000  1.0 1.0
   59    57    62    64   0.00000  1.0 1.0
   59    57    62    70   0.04150 -1.0 2.0
   59    65    72    73   3.62500 -1.0 2.0
   59    65    72    74   3.62500 -1.0 2.0
   59    65    79    78   3.62500 -1.0 2.0
   59    65    79    58   3.62500 -1.0 2.0
   65    59    66    67   0.00000  1.0 1.0
   65    59    66    68   0.00000  1.0 1.0
   65    59    66    69   0.00000  1.0 1.0
   65    72    74    75   3.62500 -1.0 2.0
   65    72    74    76   3.62500 -1.0 2.0
   65    79   -58    56   3.62500 -1.0 2.0
   65    79    58    60   3.62500 -1.0 2.0
   72    65    79    78   3.62500 -1.0 2.0
   72    65    79    58   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -79    65   3.62500 -1.0 2.0
   76    78    79    58   3.62500 -1.0 2.0
   76    78    80    81   0.84100 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    79    58    56   3.62500 -1.0 2.0
   78    79    58    60   3.62500 -1.0 2.0
   79    65    72    73   3.62500 -1.0 2.0
   79    65   -72    74   3.62500 -1.0 2.0
   79    78    80    81   0.84100 -1.0 2.0
   79    58    60    61   0.84100 -1.0 2.0
   58    56   -57    59   3.62500 -1.0 2.0
   58    56    57    62   3.62500 -1.0 2.0
   80    78    79    65   3.62500 -1.0 2.0
   80    78    79    58   3.62500 -1.0 2.0
   66    59    65    72   3.62500 -1.0 2.0
   66    59    65    79   3.62500 -1.0 2.0
   62    57    59    65   3.62500 -1.0 2.0
   62    57    59    66   3.62500 -1.0 2.0
   62    70    39    33   0.56750  1.0 1.0
   62    70    39    33  -0.07550 -1.0 2.0
   62    70    39    33   0.20000  1.0 3.0
   62    70    39    40   0.15000  1.0 3.0
   62    70    39    43   1.85550  1.0 1.0
   62    70    39    43  -0.84100 -1.0 2.0
   63    62    70    48   0.15000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    39   0.15000  1.0 3.0
   64    62    70    48   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    39   0.15000  1.0 3.0
   70    48    52    53   0.30150 -1.0 2.0
   70    48   -52    56   0.05850 -1.0 2.0
   70    48   -52    56   0.17250  1.0 3.0
   70    48    54    55  -0.11600  1.0 1.0
   70    48    54    55  -0.09450 -1.0 2.0
   70    48    54    55   0.21250  1.0 3.0
   70    39    43    44  -0.05950  1.0 1.0
   70    39    43    44   0.08850 -1.0 2.0
   70    39    43    44   0.11750  1.0 3.0
   70    39    43    45  -0.05950  1.0 1.0
   70    39    43    45   0.08850 -1.0 2.0
   70    39    43    45   0.11750  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    46   0.09700  1.0 1.0
   39    33    38    46   0.15600 -1.0 2.0
   39    33    38    46  -0.50800  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    56   0.65300  1.0 1.0
   54    48    52    56  -0.03850 -1.0 2.0
   54    48    52    56   0.33900  1.0 3.0
   54    48    70    62   0.86500  1.0 1.0
   54    48    70    62  -0.17500 -1.0 2.0
   54    48    70    62   0.20800  1.0 3.0
   54    48    70    71   0.23400  1.0 3.0
   54    48    70    39   0.86500  1.0 1.0
   54    48    70    39  -0.17500 -1.0 2.0
   54    48    70    39   0.20800  1.0 3.0
   46    38    41    42   7.00000 -1.0 2.0
   46    38    41    48   7.00000 -1.0 2.0
   47    46    49    50   2.45000 -1.0 2.0
   47    46    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    46    38    41   1.10000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   57    58    56    52   4.00000 -1.0 2.0
   59    62    57    56   4.00000 -1.0 2.0
   65    66    59    57   4.00000 -1.0 2.0
   72    79    65    59   4.00000 -1.0 2.0
   74    73    72    65   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    80    78    76   4.00000 -1.0 2.0
   78    58    79    65   4.00000 -1.0 2.0
   79    60    58    56   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
   51    46    49    50   1.00000 -1.0 2.0
END
