* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    166    252     477
    1     0 S   NP   _N1_     1    28.82237    98.36487   -19.81026
    2     1 S   H    _HN1     2     1.02961    64.47867    22.13357
    3     1 S   H    _H1_     3     1.02837    56.94782   156.44107
    4     1 S   H    _H2_     4     1.02781    86.89277   -89.85143
    5     1 S   CT   _CA1     5     1.50115   160.49691   101.14949
    6     5 S   HC   _HA1     6     1.09586   105.19439   106.57230
    7     5 S   CO3  _C1_     7     1.53773   112.36456   -13.40156
    8     7 S   O2Z  _O11     8     1.26331   115.03954   -45.66901
    9     7 S   O2Z  _O12     9     1.26331   115.00445   133.45163
   10     5 S   CT   _CB1    10     1.53148   107.38283  -135.75503
   11    10 S   HC   HB11    11     1.09815   109.24060   -52.62171
   12    10 S   HC   HB12    12     1.09810   110.50788    63.96529
   13    10 S   CT   _CG1    13     1.52904   112.52650  -173.78871
   14    13 S   HC   HG11    14     1.09526   110.09079   -66.78682
   15    13 S   HC   HG12    15     1.09659   109.99430    52.30957
   16    13 S   C    _CD1    16     1.51818   112.72824   172.99812
   17    16 S   O    _OE1    17     1.22727   123.41779     1.31448
   18    16 S   N    _N2_    18     1.38476   111.46592  -178.73886
   19    18 S   H    _HN2    19     1.01544   118.97820     3.85011
   20    18 S   CT1  _CA2    20     1.45901   123.34508   178.88197
   21    20 S   HC   _HA2    21     1.09612   109.48813    23.99276
   22    20 S   C    _C2_    22     1.52733   104.78026   -94.23847
   23    22 S   O    _O2_    23     1.23025   122.21752   -64.47939
   24    20 S   CT   _CB2    32     1.53192   111.50029   147.22330
   25    24 S   HC   HB21    33     1.09396   109.79923    51.34200
   26    24 S   HC   HB22    34     1.09519   109.90174   169.98698
   27    22 S   N    _N3_    24     1.38466   113.05941   112.54724
   28    27 S   H    _HN3    25     1.01497   119.77749     4.39182
   29    24 S   S    _SG2    35     1.83271   110.25220   -70.63681
   30    27 S   CT   _CA3    26     1.45514   123.15811  -179.27073
   31    30 S   HC   HA31    27     1.09519   109.29406    22.39325
   32    30 S   HC   HA32    28     1.09496   107.02592   139.38091
   33    29 S   CT   _C16    36     1.83682   102.08793   157.80046
   34    33 S   OM   _O37    37     1.31817   110.28158   170.68242
   35    30 S   CO3  _C3_    29     1.52904   113.54891  -101.10017
   36    35 S   O2Z  _O31    30     1.26365   115.66232   -37.45768
   37    35 S   O2Z  _O32    31     1.26398   114.81000   143.46332
   38    33 S   CM   _C17    38     1.52332   111.80589   -64.52890
   39    38 S   CA   _C19    39     1.48423   123.46161   -53.84431
   40    38 S   CMA  _C18    64     1.36208   110.89688   122.55101
   41    40 S   OM   _O35    65     1.26512   129.39427   179.48452
   42    39 S   CA   _C20    40     1.40375   119.94347   121.15638
   43    42 S   HA   _H14    41     1.08784   120.46396     2.01538
   44    40 S   OS   _O34    66     1.42969   108.31940    -1.27794
   45    42 S   CA   _C21    42     1.39549   120.97672  -176.74244
   46    45 S   HA   _H15    43     1.08619   119.38898   179.28866
   47    33 S   CM   _C15    67     1.50945   112.55304    48.98292
   48    45 S   CA   _C22    44     1.39296   119.76155     0.08393
   49    47 S   CM   _C14    68     1.34565   128.67162    57.18357
   50    49 S   HC   _H13    69     1.08687   119.70456     2.84482
   51    48 S   CA   _C23    45     1.39894   120.88059    -1.17220
   52    48 S   OH   _O36    62     1.36854   119.86057   178.36028
   53    52 S   HO   _H26    63     0.97607   108.72641   -14.79310
   54    49 S   CA   _C10    70     1.46695   124.70623  -176.46183
   55    39 S   CA   _C24    46     1.40270   121.75850   -56.34108
   56    55 S   HA   _H16    47     1.08713   119.88717    -3.17262
   57    51 S   CT   _C25    48     1.51017   121.93732   178.41761
   58    57 S   HC   _H17    49     1.09763   109.65926    38.17278
   59    57 S   HC   _H18    50     1.09532   109.79103   151.96418
   60    54 S   CA   _C11    71     1.39827   119.67040  -131.67544
   61    60 S   HA   _H10    72     1.08759   120.53422     2.52646
   62    57 S   CM   _C26    51     1.50405   112.21946   -82.75922
   63    62 S   HC   _H19    52     1.09006   114.04220    77.50755
   64    60 S   CA   _C12    73     1.39580   120.31885  -177.55239
   65    64 S   HA   _H11    74     1.08629   119.20487  -179.84051
   66    62 S   CM   _C27    53     1.34687   127.93428  -103.33494
   67    64 S   CA   _C13    75     1.39632   119.91590     0.68300
   68    66 S   CT   _C28    54     1.50555   120.40720  -179.26299
   69    68 S   HC   _H20    55     1.09495   110.22119   120.72391
   70    68 S   HC   _H21    56     1.09498   110.26028  -119.46108
   71    68 S   HC   _H22    57     1.09513   112.42710     0.64194
   72    66 S   CT   _C29    58     1.50260   125.22230     1.64794
   73    72 S   HC   _H23    59     1.09532   110.02055   122.13505
   74    72 S   HC   _H24    60     1.09499   110.05407  -118.58447
   75    72 S   HC   _H25    61     1.09168   113.64999     2.09816
   76    67 S   CA   _C8_    76     1.39986   120.97157    -0.33572
   77    67 S   OH   _O33    93     1.36897   119.78879   179.16140
   78    77 S   HO   _H12    94     0.97218   108.73116     0.41965
   79    54 S   CA   _C9_    77     1.40262   121.10386    51.87849
   80    79 S   HA   _H9_    78     1.08880   119.56354    -1.59446
   81    76 S   CT   _C7_    79     1.51016   122.39005   177.80305
   82    81 S   HC   _H7_    80     1.09736   110.01198    32.82301
   83    81 S   HC   _H8_    81     1.09544   109.55507   146.65795
   84    81 S   CM   _C6_    82     1.50365   112.12639   -88.28394
   85    84 S   HC   _H6_    83     1.08970   114.06916    79.23243
   86    84 S   CM   _C5_    84     1.34719   127.89424  -101.14326
   87    86 S   CT   _C4_    85     1.50585   120.40107  -179.96044
   88    87 S   HC   _H3_    86     1.09491   110.29211   121.99257
   89    87 S   HC   _H4_    87     1.09460   110.22642  -118.07816
   90    87 S   HC   _H5_    88     1.09511   112.39682     1.95465
   91    86 S   CT   _C30    89     1.50330   125.33275     1.10571
   92    91 S   HC   _H27    90     1.09487   109.97306   117.05565
   93    91 S   HC   _H28    91     1.09507   110.13847  -123.55651
   94    91 S   HC   _H29    92     1.09159   113.66906    -3.22076
  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   8   5   4   3
  12   6   2   1   1  12  13   6   2   8   4   4   7   3   5   9
   8   3  10   3   1   9   5   1   7   4   3   8   4  10   3   7
   3   8   9   7   3   2   1   3   2   1   1  10   3   1   5   1
   7   4   3  10   3   8   7   3   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    55    40    41    44    47    49    50    54  
   38    39    40    44    47    49  
   36    37  
   37  
    0  
   39    42    43    45    51    55    56    40    41    44    47    49  
   42    43    45    46    48    51    55    56    57    40    41    44    47  
   41    44    47    49    42    55  
   44    47  
   43    45    46    48    51    55    56    52  
   45    46    48    55  
   47    49    50    54  
   46    48    51    55    57    52    53  
   48    51    52  
   49    50    54    60    79  
   51    55    56    57    58    59    62    52    53  
   50    54    60    61    64    76    79    80  
   54    60    79  
   55    56    57    58    59    62    63    66    52    53  
   53    55    57  
    0  
   60    61    64    65    67    76    79    80    81  
   56    57    58    59    62  
   57  
   58    59    62    63    66    68    72  
   59    62    63    66  
   62    63    66  
   61    64    65    67    76    79    80    77  
   64    65    67    79  
   63    66    68    69    70    71    72    73    74    75  
   66    68    72  
   65    67    76    79    81    77    78  
   67    76    77  
   68    69    70    71    72    73    74    75  
   76    79    80    81    82    83    84    77    78  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   79    80    81    82    83    84    85    86    77    78  
   78    79    81  
    0  
   80    81    82    83    84  
   81  
   82    83    84    85    86    87    91  
   83    84    85    86  
   84    85    86  
   85    86    87    88    89    90    91    92    93    94  
   86    87    91  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   2.8500   0.1400  -0.570000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.5000   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
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   570.000  1.307
   33    38   317.000  1.510
   33    47   317.000  1.510
   38    39   320.000  1.460
   38    40   465.000  1.376
   39    42   469.000  1.400
   39    55   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    55   469.000  1.400
   51    57   317.000  1.510
   55    56   367.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    68   317.000  1.510
   66    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   52    53   553.000  0.945
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   440.000  1.360
   47    49   549.000  1.340
   49    50   340.000  1.080
   49    54   320.000  1.460
   54    60   469.000  1.400
   54    79   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    76   469.000  1.400
   67    77   450.000  1.364
   76    79   469.000  1.400
   76    81   317.000  1.510
   79    80   367.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.510
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   317.000  1.510
   86    91   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   77    78   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  112.20000
   33    38    39    60.00000  124.00000
   33    38    40    70.00000  124.00000
   33    47    44    85.00000  112.85300
   33    47    49    70.00000  124.00000
   38    33    34    85.00000  110.90400
   38    39    42    60.00000  118.70000
   38    39    55    60.00000  118.70000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   39    42    43    35.00000  120.00000
   39    42    45    63.00000  120.00000
   39    55    51    63.00000  120.00000
   39    55    56    35.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    48    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    55    63.00000  120.00000
   48    51    57    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    55    56    35.00000  120.00000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    62    70.00000  112.99600
   55    39    42    63.00000  120.00000
   57    51    55    70.00000  120.00000
   57    62    63    35.00000  117.00000
   57    62    66    70.00000  124.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    66    68    70.00000  124.00000
   62    66    72    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    66    68    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   52    48    51    70.00000  120.00000
   40    38    39    60.00000  123.66000
   40    44    47    90.00000  114.05000
   44    40    41    65.00000  121.00000
   44    47    49    80.00000  120.01400
   47    33    34    85.00000  110.90400
   47    33    38    70.00000  110.12100
   47    49    50    35.00000  120.00000
   47    49    54    60.00000  123.20500
   49    54    60    60.00000  120.93500
   49    54    79    60.00000  120.93500
   54    49    50    40.00000  117.26300
   54    60    61    35.00000  120.00000
   54    60    64    63.00000  120.00000
   54    79    76    63.00000  120.00000
   54    79    80    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    67    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    76    63.00000  120.00000
   64    67    77    70.00000  120.00000
   67    64    65    35.00000  120.00000
   67    76    79    63.00000  120.00000
   67    76    81    70.00000  120.00000
   67    77    78    35.00000  113.00000
   76    79    80    35.00000  120.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    70.00000  112.99600
   79    54    60    63.00000  120.00000
   81    76    79    70.00000  120.00000
   81    84    85    35.00000  117.00000
   81    84    86    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    86    87    70.00000  124.00000
   84    86    91    70.00000  124.00000
   86    84    85    35.00000  120.00000
   86    87    88    35.00000  109.50000
   86    87    89    35.00000  109.50000
   86    87    90    35.00000  109.50000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    94    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    86    87    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   77    67    76    70.00000  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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.09700  1.0 1.0
   29    33    47    44   0.15600 -1.0 2.0
   29    33    47    44  -0.50800  1.0 3.0
   29    33    47    49   0.42700  1.0 1.0
   29    33    47    49  -0.70350 -1.0 2.0
   29    33    47    49  -0.43150  1.0 3.0
   33    38    39    42  -0.02500  1.0 1.0
   33    38    39    42  -0.32150 -1.0 2.0
   33    38    39    42  -0.01500  1.0 3.0
   33    38    39    55  -0.02500  1.0 1.0
   33    38    39    55  -0.32150 -1.0 2.0
   33    38    39    55  -0.01500  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    44   7.00000 -1.0 2.0
   33    47    49    50   7.00000 -1.0 2.0
   33    47    49    54   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    47    44   0.09700  1.0 1.0
   34    33    47    44   0.15600 -1.0 2.0
   34    33    47    44  -0.50800  1.0 3.0
   34    33    47    49   0.39000  1.0 1.0
   34    33    47    49  -0.05800 -1.0 2.0
   34    33    47    49  -0.55150  1.0 3.0
   38    33   -47    44   0.09700  1.0 1.0
   38    33   -47    44   0.15600 -1.0 2.0
   38    33   -47    44  -0.50800  1.0 3.0
   38    33    47    49  -0.28300  1.0 1.0
   38    33    47    49   0.26700 -1.0 2.0
   38    33    47    49  -0.63300  1.0 3.0
   38    39    42    43   3.62500 -1.0 2.0
   38    39    42    45   3.62500 -1.0 2.0
   38    39    55    51   3.62500 -1.0 2.0
   38    39    55    56   3.62500 -1.0 2.0
   38    40   -44    47   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    48   3.62500 -1.0 2.0
   42    39    55    51   3.62500 -1.0 2.0
   42    39    55    56   3.62500 -1.0 2.0
   42    45   -48    51   3.62500 -1.0 2.0
   42    45    48    52   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    48   3.62500 -1.0 2.0
   45    48    51    55   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -55    39   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    57    58   0.00000  1.0 1.0
   48    51    57    59   0.00000  1.0 1.0
   48    51    57    62   0.18050 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    57    62    63   0.00000  1.0 1.0
   51    57    62    66   1.44450  1.0 1.0
   51    57    62    66   0.06600 -1.0 2.0
   51    57    62    66   0.29250  1.0 3.0
   55    39    42    43   3.62500 -1.0 2.0
   55    39   -42    45   3.62500 -1.0 2.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    59   0.00000  1.0 1.0
   55    51    57    62   0.18050 -1.0 2.0
   57    51    55    39   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   57    62    66    68   7.00000 -1.0 2.0
   57    62    66    72   7.00000 -1.0 2.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   59    57    62    63   0.33100  1.0 3.0
   59    57    62    66   0.00000  1.0 1.0
   62    66    68    69   0.00000  1.0 1.0
   62    66    68    70   0.00000  1.0 1.0
   62    66    68    71   0.00000  1.0 1.0
   62    66    72    73   0.00000  1.0 1.0
   62    66    72    74   0.00000  1.0 1.0
   62    66    72    75   0.00000  1.0 1.0
   63    62    66    68   7.00000 -1.0 2.0
   63    62    66    72   7.00000 -1.0 2.0
   68    66    72    73   0.34800  1.0 3.0
   68    66    72    74   0.34800  1.0 3.0
   68    66    72    75   0.34800  1.0 3.0
   72    66    68    69   0.34800  1.0 3.0
   72    66    68    70   0.34800  1.0 3.0
   72    66    68    71   0.34800  1.0 3.0
   52    48    51    55   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   40    38    39    42   0.15800  1.0 1.0
   40    38    39    42   1.85350 -1.0 2.0
   40    38    39    42  -0.48700  1.0 3.0
   40    38    39    55   0.15800  1.0 1.0
   40    38    39    55   1.85350 -1.0 2.0
   40    38    39    55  -0.48700  1.0 3.0
   40    44   -47    33   2.00000 -1.0 2.0
   40    44    47    49   2.00000 -1.0 2.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    49    50   7.00000 -1.0 2.0
   44    47    49    54   7.00000 -1.0 2.0
   47    33    38    39   0.09700  1.0 1.0
   47    33    38    39   0.15600 -1.0 2.0
   47    33    38    39  -0.50800  1.0 3.0
   47    33   -38    40  -0.28300  1.0 1.0
   47    33   -38    40   0.26700 -1.0 2.0
   47    33   -38    40  -0.63300  1.0 3.0
   47    49    54    60   0.15800  1.0 1.0
   47    49    54    60   1.85350 -1.0 2.0
   47    49    54    60  -0.48700  1.0 3.0
   47    49    54    79   0.15800  1.0 1.0
   47    49    54    79   1.85350 -1.0 2.0
   47    49    54    79  -0.48700  1.0 3.0
   49    54    60    61   3.62500 -1.0 2.0
   49    54    60    64   3.62500 -1.0 2.0
   49    54    79    76   3.62500 -1.0 2.0
   49    54    79    80   3.62500 -1.0 2.0
   50    49    54    60   0.56550  1.0 3.0
   50    49    54    79   0.56550  1.0 3.0
   54    60    64    65   3.62500 -1.0 2.0
   54    60    64    67   3.62500 -1.0 2.0
   60    54    79    76   3.62500 -1.0 2.0
   60    54    79    80   3.62500 -1.0 2.0
   60    64   -67    76   3.62500 -1.0 2.0
   60    64    67    77   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   64    67    76    79   3.62500 -1.0 2.0
   64    67    76    81   3.62500 -1.0 2.0
   64    67    77    78   0.84100 -1.0 2.0
   65    64    67    76   3.62500 -1.0 2.0
   65    64    67    77   3.62500 -1.0 2.0
   67    76   -79    54   3.62500 -1.0 2.0
   67    76    79    80   3.62500 -1.0 2.0
   67    76    81    82   0.00000  1.0 1.0
   67    76    81    83   0.00000  1.0 1.0
   67    76    81    84   0.18050 -1.0 2.0
   76    67    77    78   0.84100 -1.0 2.0
   76    81    84    85   0.00000  1.0 1.0
   76    81    84    86   1.44450  1.0 1.0
   76    81    84    86   0.06600 -1.0 2.0
   76    81    84    86   0.29250  1.0 3.0
   79    54    60    61   3.62500 -1.0 2.0
   79    54   -60    64   3.62500 -1.0 2.0
   79    76    81    82   0.00000  1.0 1.0
   79    76    81    83   0.00000  1.0 1.0
   79    76    81    84   0.18050 -1.0 2.0
   81    76    79    54   3.62500 -1.0 2.0
   81    76    79    80   3.62500 -1.0 2.0
   81    84    86    87   7.00000 -1.0 2.0
   81    84    86    91   7.00000 -1.0 2.0
   82    81    84    85   0.33100  1.0 3.0
   82    81    84    86   0.00000  1.0 1.0
   83    81    84    85   0.33100  1.0 3.0
   83    81    84    86   0.00000  1.0 1.0
   84    86    87    88   0.00000  1.0 1.0
   84    86    87    89   0.00000  1.0 1.0
   84    86    87    90   0.00000  1.0 1.0
   84    86    91    92   0.00000  1.0 1.0
   84    86    91    93   0.00000  1.0 1.0
   84    86    91    94   0.00000  1.0 1.0
   85    84    86    87   7.00000 -1.0 2.0
   85    84    86    91   7.00000 -1.0 2.0
   87    86    91    92   0.34800  1.0 3.0
   87    86    91    93   0.34800  1.0 3.0
   87    86    91    94   0.34800  1.0 3.0
   91    86    87    88   0.34800  1.0 3.0
   91    86    87    89   0.34800  1.0 3.0
   91    86    87    90   0.34800  1.0 3.0
   77    67    76    79   3.62500 -1.0 2.0
   77    67    76    81   3.62500 -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    39    38    40   1.10000 -1.0 2.0
   42    55    39    38   4.00000 -1.0 2.0
   45    43    42    39   1.10000 -1.0 2.0
   48    46    45    42   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   55    57    51    48   4.00000 -1.0 2.0
   51    56    55    39   1.10000 -1.0 2.0
   57    63    62    66  15.00000 -1.0 2.0
   68    72    66    62  15.00000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   33    44    47    49   1.10000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   60    79    54    49   4.00000 -1.0 2.0
   64    61    60    54   1.10000 -1.0 2.0
   67    65    64    60   1.10000 -1.0 2.0
   76    77    67    64   4.00000 -1.0 2.0
   79    81    76    67   4.00000 -1.0 2.0
   76    80    79    54   1.10000 -1.0 2.0
   81    85    84    86  15.00000 -1.0 2.0
   87    91    86    84  15.00000 -1.0 2.0
END
