* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    166    252     477
    1     0 S   NP   _N1_     1    28.84532    98.55610   -17.85683
    2     1 S   H    _HN1     2     1.02959    78.46287    26.80385
    3     1 S   H    _H1_     3     1.02836    58.02547   145.46058
    4     1 S   H    _H2_     4     1.02775    70.73520   -87.51076
    5     1 S   CT   _CA1     5     1.50128   168.10552   165.69017
    6     5 S   HC   _HA1     6     1.09584   105.19323    40.77049
    7     5 S   CO3  _C1_     7     1.53806   112.49164   -79.26739
    8     7 S   O2Z  _O11     8     1.26357   114.97393   -41.45474
    9     7 S   O2Z  _O12     9     1.26249   114.93508   137.64894
   10     5 S   CT   _CB1    10     1.53125   107.41784   158.59683
   11    10 S   HC   HB11    11     1.09809   109.23379   -51.31276
   12    10 S   HC   HB12    12     1.09809   110.50937    65.29094
   13    10 S   CT   _CG1    13     1.52924   112.51648  -172.48885
   14    13 S   HC   HG11    14     1.09542   110.22575   -64.82042
   15    13 S   HC   HG12    15     1.09567   109.80925    54.36303
   16    13 S   C    _CD1    16     1.51728   112.69961   174.15967
   17    16 S   O    _OE1    17     1.22739   123.14518    -9.88302
   18    16 S   N    _N2_    18     1.38508   111.61797   171.00920
   19    18 S   H    _HN2    19     1.01609   119.27534     1.56636
   20    18 S   CT1  _CA2    20     1.45958   123.38179   178.35456
   21    20 S   HC   _HA2    21     1.09639   109.54716    -1.91928
   22    20 S   C    _C2_    22     1.52695   105.56404  -119.60580
   23    22 S   O    _O2_    23     1.23050   122.64085   -37.77620
   24    20 S   CT   _CB2    32     1.53332   111.94176   121.41942
   25    24 S   HC   HB21    33     1.09354   109.25110    56.40073
   26    24 S   HC   HB22    34     1.09478   110.14671   174.39521
   27    22 S   N    _N3_    24     1.38374   113.03238   144.27535
   28    27 S   H    _HN3    25     1.01632   120.39384    -2.37125
   29    24 S   S    _SG2    35     1.83305   110.40600   -66.13815
   30    27 S   CT   _CA3    26     1.45395   122.18489   178.60184
   31    30 S   HC   HA31    27     1.09586   107.40567   -60.01525
   32    30 S   HC   HA32    28     1.09556   107.97720    56.19448
   33    29 S   CT   _C16    36     1.83499   102.52956   151.78768
   34    33 S   OM   _O37    37     1.31827   110.04363  -175.33284
   35    30 S   CO3  _C3_    29     1.52811   114.28088   177.71381
   36    35 S   O2Z  _O31    30     1.26316   115.90773   -20.65373
   37    35 S   O2Z  _O32    31     1.26407   114.57062   159.51716
   38    33 S   CM   _C17    38     1.51922   112.36047    59.77293
   39    38 S   CA   _C19    39     1.48029   123.83726    58.29436
   40    38 S   CMA  _C18    64     1.36090   111.12701  -120.80395
   41    40 S   OM   _O35    65     1.26503   129.29892  -179.72305
   42    39 S   CA   _C20    40     1.40000   121.40514    64.17954
   43    42 S   HA   _H14    41     1.08676   120.81064     1.13021
   44    40 S   OS   _O34    66     1.42942   108.26878     0.13562
   45    42 S   CA   _C21    42     1.39593   120.71726  -179.46441
   46    45 S   HA   _H15    43     1.08619   119.13191   179.60933
   47    33 S   CM   _C15    67     1.51162   112.44365   -53.99731
   48    45 S   CA   _C22    44     1.39442   119.91126    -0.39565
   49    47 S   CM   _C14    68     1.34612   128.82353   -56.56212
   50    49 S   HC   _H13    69     1.08704   119.65476     0.15323
   51    48 S   CA   _C23    45     1.39903   120.87430    -0.64346
   52    48 S   OH   _O36    62     1.36888   119.76032   179.31987
   53    52 S   HO   _H26    63     0.97219   108.64077    -0.01978
   54    49 S   CA   _C10    70     1.46810   124.71531   178.52144
   55    39 S   CA   _C24    46     1.40463   120.04367  -116.22335
   56    55 S   HA   _H16    47     1.08890   119.40060     0.28531
   57    51 S   CT   _C25    48     1.51009   122.19717   179.17980
   58    57 S   HC   _H17    49     1.09716   110.25828    27.87635
   59    57 S   HC   _H18    50     1.09471   109.11625   141.65213
   60    54 S   CA   _C11    71     1.40006   121.79126    50.78628
   61    60 S   HA   _H10    72     1.08773   120.65892    -0.48457
   62    57 S   CM   _C26    51     1.50314   111.96880   -93.06475
   63    62 S   HC   _H19    52     1.08976   114.09085    73.59961
   64    60 S   CA   _C12    73     1.39502   120.46034   179.59218
   65    64 S   HA   _H11    74     1.08618   119.20645   179.34628
   66    62 S   CM   _C27    53     1.34674   127.87038  -106.38108
   67    64 S   CA   _C13    75     1.39507   119.83208    -0.47354
   68    66 S   CT   _C28    54     1.50553   120.38033   179.41383
   69    68 S   HC   _H20    55     1.09490   110.33787   122.88256
   70    68 S   HC   _H21    56     1.09471   110.12912  -117.15527
   71    68 S   HC   _H22    57     1.09511   112.40747     2.81765
   72    66 S   CT   _C29    58     1.50236   125.27283     0.45885
   73    72 S   HC   _H23    59     1.09348   109.84624   116.79879
   74    72 S   HC   _H24    60     1.09505   110.17118  -123.80649
   75    72 S   HC   _H25    61     1.09140   113.82077    -3.31044
   76    67 S   CA   _C8_    76     1.40045   120.98193    -0.71655
   77    67 S   OH   _O33    93     1.36908   119.74988   179.19619
   78    77 S   HO   _H12    94     0.97218   108.69176    -0.26393
   79    54 S   CA   _C9_    77     1.40215   119.11243  -131.12698
   80    79 S   HA   _H9_    78     1.08824   119.62315     1.25710
   81    76 S   CT   _C7_    79     1.51051   122.05634   178.64376
   82    81 S   HC   _H7_    80     1.09738   109.90096    33.25868
   83    81 S   HC   _H8_    81     1.09458   109.41595   147.02565
   84    81 S   CM   _C6_    82     1.50420   112.05929   -87.60765
   85    84 S   HC   _H6_    83     1.08989   114.02531    73.17723
   86    84 S   CM   _C5_    84     1.34691   128.02444  -107.63372
   87    86 S   CT   _C4_    85     1.50564   120.46535  -179.50742
   88    87 S   HC   _H3_    86     1.09495   110.23016   120.58717
   89    87 S   HC   _H4_    87     1.09505   110.24194  -119.60553
   90    87 S   HC   _H5_    88     1.09509   112.42467     0.49218
   91    86 S   CT   _C30    89     1.50176   125.24445     1.16634
   92    91 S   HC   _H27    90     1.09512   110.07522   122.15655
   93    91 S   HC   _H28    91     1.09494   110.11736  -118.50417
   94    91 S   HC   _H29    92     1.09119   113.52291     2.10217
  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
