* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    169    258     488
    1     0 S   NP   _N1_     1    28.70737    96.61570   -24.26014
    2     1 S   H    _HN1     2     1.02791   109.94190   -94.13791
    3     1 S   H    _H1_     3     1.02948    71.01738     9.13749
    4     1 S   H    _H2_     4     1.02827    37.58167   172.17991
    5     1 S   CT   _CA1     5     1.50119   134.36866   109.48462
    6     5 S   HC   _HA1     6     1.09573   105.18048    94.68390
    7     5 S   CO3  _C1_     7     1.53784   112.44738   -25.54394
    8     7 S   O2Z  _O11     8     1.26376   115.00992   -42.94140
    9     7 S   O2Z  _O12     9     1.26238   114.94710   136.11915
   10     5 S   CT   _CB1    10     1.53068   107.40925  -147.34397
   11    10 S   HC   HB11    11     1.09837   109.36776   -49.47621
   12    10 S   HC   HB12    12     1.09811   110.45982    67.13068
   13    10 S   CT   _CG1    13     1.53001   112.61255  -170.42318
   14    13 S   HC   HG11    14     1.09577   110.67408   -66.16795
   15    13 S   HC   HG12    15     1.09670   109.74802    53.07104
   16    13 S   C    _CD1    16     1.51807   112.12118   173.54633
   17    16 S   O    _OE1    17     1.22746   123.23212     9.20434
   18    16 S   N    _N2_    18     1.38637   111.73786  -170.81924
   19    18 S   H    _HN2    19     1.01572   119.01911     1.38677
   20    18 S   CT1  _CA2    20     1.46237   123.44464   177.55792
   21    20 S   HC   _HA2    21     1.09739   109.26228     6.85987
   22    20 S   C    _C2_    22     1.53674   108.98127  -108.67971
   23    22 S   O    _O2_    23     1.23088   122.23869  -149.82516
   24    20 S   CT   _CB2    32     1.53445   111.55602   128.77545
   25    24 S   HC   HB21    33     1.09544   109.59755    56.71328
   26    24 S   HC   HB22    34     1.09369   109.80298   175.38153
   27    22 S   N    _N3_    24     1.38316   113.89094    37.72233
   28    27 S   H    _HN3    25     1.01548   119.60280    -3.32360
   29    24 S   S    _SG2    35     1.83416   111.10904   -64.21953
   30    27 S   CT   _CA3    26     1.45280   123.25707   177.15263
   31    30 S   HC   HA31    27     1.09548   107.51857   -64.63580
   32    30 S   HC   HA32    28     1.09557   107.98569    51.81324
   33    29 S   CT   _C16    36     1.86061   101.47438  -177.91728
   34    33 S   OM   _O37    37     1.31512   110.68352   -57.93238
   35    30 S   CO3  _C3_    29     1.52968   114.06241   173.81870
   36    35 S   O2Z  _O31    30     1.26379   116.08267    -0.15949
   37    35 S   O2Z  _O32    31     1.26426   114.41271   179.89532
   38    33 S   CM   _C15    38     1.50999   106.47296   179.33825
   39    38 S   OS   _O35    39     1.40129   111.64991   -92.90902
   40    38 S   CM   _C14    69     1.34803   127.71203    87.37826
   41    40 S   HC   _H14    70     1.08702   120.21006    -2.87208
   42    39 S   CO4  _C18    40     1.36566   107.17212   -12.75702
   43    42 S   O    _O34    41     1.22451   123.42007   178.31217
   44    40 S   CA   _C10    71     1.46824   124.56213   177.46225
   45    33 S   CT   _C17    42     1.54060   111.82087    70.69772
   46    45 S   HC   _H3_    43     1.09801   110.84696   -23.31554
   47    44 S   CA   _C11    72     1.39801   119.72715   129.93350
   48    47 S   HA   _H11    73     1.08764   120.57734    -1.27518
   49    45 S   CA   _C19    44     1.52545   119.01684  -149.09402
   50    47 S   CA   _C12    74     1.39600   120.28622   179.49178
   51    50 S   HA   _H12    75     1.08640   119.18595   179.12330
   52    49 S   CA   _C20    45     1.40218   119.30712   108.63452
   53    52 S   HA   _H15    46     1.08746   120.33136     0.29074
   54    50 S   CA   _C13    76     1.39657   119.95481    -0.65432
   55    52 S   CA   _C21    47     1.39503   120.70311  -179.25559
   56    55 S   HA   _H16    48     1.08623   119.21513   179.73607
   57    54 S   CA   _C8_    77     1.39940   120.94658    -0.76719
   58    54 S   OH   _O33    94     1.36871   119.78137   179.22696
   59    58 S   HO   _H13    95     0.97227   108.77322    -0.25869
   60    55 S   CA   _C22    49     1.39498   119.86346     0.08156
   61    44 S   CA   _C9_    78     1.40231   121.14852   -52.35762
   62    61 S   HA   _H10    79     1.08818   119.57315     0.91064
   63    57 S   CT   _C7_    80     1.51017   122.56142   179.20377
   64    63 S   HC   _H8_    81     1.09712   110.28259    26.88571
   65    63 S   HC   _H9_    82     1.09532   109.22968   140.73004
   66    60 S   CA   _C23    50     1.39964   120.97299    -0.23985
   67    60 S   OH   _O36    67     1.36906   119.77579   179.46514
   68    67 S   HO   _H27    68     0.97221   108.69783    -0.35773
   69    63 S   CM   _C6_    83     1.50373   112.12513   -94.19468
   70    69 S   HC   _H7_    84     1.08986   114.00957    76.45780
   71    49 S   CA   _C24    51     1.40615   122.13041   -70.26710
   72    71 S   HA   _H17    52     1.08768   119.75965     0.05595
   73    66 S   CT   _C25    53     1.51047   122.16843   178.59319
   74    73 S   HC   _H18    54     1.09745   109.84201    33.50749
   75    73 S   HC   _H19    55     1.09517   109.42341   147.17559
   76    69 S   CM   _C5_    85     1.34730   127.94711  -104.22456
   77    73 S   CM   _C26    56     1.50363   112.28184   -87.44548
   78    77 S   HC   _H20    57     1.08989   114.00483    74.21009
   79    76 S   CT   _C4_    86     1.50580   120.38757  -179.56299
   80    79 S   HC   _H4_    87     1.09496   110.23037   120.56370
   81    79 S   HC   _H5_    88     1.09501   110.24334  -119.62527
   82    79 S   HC   _H6_    89     1.09511   112.42883     0.47354
   83    76 S   CT   _C30    90     1.50313   125.37342     1.30925
   84    83 S   HC   _H28    91     1.09538   110.03611   120.15787
   85    83 S   HC   _H29    92     1.09503   110.07720  -120.51640
   86    83 S   HC   _H30    93     1.09128   113.67771    -0.01978
   87    77 S   CM   _C27    58     1.34701   128.03783  -106.80092
   88    87 S   CT   _C28    59     1.50570   120.41327  -179.16350
   89    88 S   HC   _H21    60     1.09497   110.22117   120.66360
   90    88 S   HC   _H22    61     1.09498   110.25699  -119.52768
   91    88 S   HC   _H23    62     1.09510   112.43150     0.58283
   92    87 S   CT   _C29    63     1.50223   125.30641     1.57010
   93    92 S   HC   _H24    64     1.09526   110.03886   122.33855
   94    92 S   HC   _H25    65     1.09493   110.13792  -118.31448
   95    92 S   HC   _H26    66     1.09104   113.52516     2.33481
  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
  13   7   2   1   1  11   8  10   3   6   3   9   8   3   8   4
   9   7   3   8   4   9   7   3  10   3   1   9   5   1   7   4
   3  10   3   1  10   3   5   1   7   4   3   8  10   3   7   3
   2   1   3   2   1   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    45    46    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    46    49    52    71    40    41    44  
   38    39    42    45    46    49    40  
   36    37  
   37  
    0  
   39    42    43    45    46    49    40    41    44    47    61  
   42    43    45    46    49    40    41    44  
   41    44    47    48    50    57    61    62    42    45  
   44    47    61  
   43    45    46    49    52    71  
   45    46    49  
   47    48    50    51    54    57    61    62    63  
   46    49    52    53    55    66    71    72  
   49    52    71  
   48    50    51    54    57    61    62    58  
   50    51    54    61  
   52    53    55    56    60    66    71    72    73  
   51    54    57    61    63    58    59  
   54    57    58  
   53    55    56    60    66    71    72    67  
   55    56    60    71  
   57    61    62    63    64    65    69    58    59  
   56    60    66    71    73    67    68  
   60    66    67  
   61    62    63    64    65    69    70    76    58    59  
   59    61    63  
    0  
   66    71    72    73    74    75    77    67    68  
   62    63    64    65    69  
   63  
   64    65    69    70    76    79    83  
   65    69    70    76  
   69    70    76  
   71    72    73    74    75    77    78    87    67    68  
   68    71    73  
    0  
   70    76    79    80    81    82    83    84    85    86  
   76    79    83  
   72    73    74    75    77  
   73  
   74    75    77    78    87    88    92  
   75    77    78    87  
   77    78    87  
   79    80    81    82    83    84    85    86  
   78    87    88    89    90    91    92    93    94    95  
   87    88    92  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   95   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    45   268.000  1.529
   38    39   440.000  1.360
   38    40   549.000  1.340
   39    42   214.000  1.327
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    49   317.000  1.510
   49    52   469.000  1.400
   49    71   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    66   469.000  1.400
   60    67   450.000  1.364
   66    71   469.000  1.400
   66    73   317.000  1.510
   71    72   367.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.510
   77    78   340.000  1.080
   77    87   549.000  1.340
   87    88   317.000  1.510
   87    92   317.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   67    68   553.000  0.945
   40    41   340.000  1.080
   40    44   320.000  1.460
   44    47   469.000  1.400
   44    61   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    61   469.000  1.400
   57    63   317.000  1.510
   61    62   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.510
   69    70   340.000  1.080
   69    76   549.000  1.340
   76    79   317.000  1.510
   76    83   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   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    45    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    45    42    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    49    70.00000  112.17500
   38    33    34    85.00000  110.90400
   38    39    42    90.00000  114.22900
   38    40    41    35.00000  120.00000
   38    40    44    60.00000  123.20500
   39    42    43    83.00000  123.40000
   39    42    45    81.00000  111.40000
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  110.93000
   45    33    34    50.00000  109.50000
   45    33    38    70.00000  112.02700
   45    42    43    80.00000  120.40000
   45    49    52    70.00000  120.00000
   45    49    71    70.00000  120.00000
   49    45    46    35.00000  109.50000
   49    52    53    35.00000  120.00000
   49    52    55    63.00000  120.00000
   49    71    66    63.00000  120.00000
   49    71    72    35.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    60    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    60    66    63.00000  120.00000
   55    60    67    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    66    71    63.00000  120.00000
   60    66    73    70.00000  120.00000
   60    67    68    35.00000  113.00000
   66    71    72    35.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    77    70.00000  112.99600
   71    49    52    63.00000  120.00000
   73    66    71    70.00000  120.00000
   73    77    78    35.00000  117.00000
   73    77    87    70.00000  124.00000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    87    88    70.00000  124.00000
   77    87    92    70.00000  124.00000
   87    77    78    35.00000  120.00000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   87    92    93    35.00000  109.50000
   87    92    94    35.00000  109.50000
   87    92    95    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    87    88    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   67    60    66    70.00000  120.00000
   40    38    39    80.00000  120.01400
   40    44    47    60.00000  120.93500
   40    44    61    60.00000  120.93500
   44    40    41    40.00000  117.26300
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    61    57    63.00000  120.00000
   44    61    62    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    54    57    63.00000  120.00000
   50    54    58    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    61    63.00000  120.00000
   54    57    63    70.00000  120.00000
   54    58    59    35.00000  113.00000
   57    61    62    35.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    69    70.00000  112.99600
   61    44    47    63.00000  120.00000
   63    57    61    70.00000  120.00000
   63    69    70    35.00000  117.00000
   63    69    76    70.00000  124.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    76    79    70.00000  124.00000
   69    76    83    70.00000  124.00000
   76    69    70    35.00000  120.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    79    65.00000  117.92700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    54    57    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  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    45    42   0.56750  1.0 1.0
   29    33    45    42  -0.07550 -1.0 2.0
   29    33    45    42   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    38   -39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    45    49    52   0.04150 -1.0 2.0
   33    45    49    71   0.04150 -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    45    42  -0.09450  1.0 1.0
   34    33    45    42  -1.12950 -1.0 2.0
   34    33    45    42   0.54000  1.0 3.0
   34    33    45    46   0.23400  1.0 3.0
   34    33    45    49  -0.64350  1.0 1.0
   34    33    45    49  -0.04200 -1.0 2.0
   34    33    45    49   0.19800  1.0 3.0
   38    33   -45    42  -0.98800  1.0 1.0
   38    33   -45    42   0.48800 -1.0 2.0
   38    33   -45    42   0.76800  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    49   0.21200  1.0 1.0
   38    33    45    49   0.16900 -1.0 2.0
   38    33    45    49  -1.15100  1.0 3.0
   38    39    42    43   3.00000 -1.0 2.0
   38    39   -42    45   0.82650  1.0 1.0
   38    39   -42    45   1.69000 -1.0 2.0
   38    40    44    47   0.15800  1.0 1.0
   38    40    44    47   1.85350 -1.0 2.0
   38    40    44    47  -0.48700  1.0 3.0
   38    40    44    61   0.15800  1.0 1.0
   38    40    44    61   1.85350 -1.0 2.0
   38    40    44    61  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42   -45    33   0.36750  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.40000  1.0 3.0
   42    45    49    52   0.04300 -1.0 2.0
   42    45    49    71   0.04300 -1.0 2.0
   43    42    45    33   0.30150 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49   0.30150 -1.0 2.0
   45    33   -38    39   0.09700  1.0 1.0
   45    33   -38    39   0.15600 -1.0 2.0
   45    33   -38    39  -0.50800  1.0 3.0
   45    33    38    40   0.09850  1.0 1.0
   45    33    38    40   0.15250 -1.0 2.0
   45    33    38    40  -0.50650  1.0 3.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    55   3.62500 -1.0 2.0
   45    49    71    66   3.62500 -1.0 2.0
   45    49    71    72   3.62500 -1.0 2.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    71   0.00000  1.0 1.0
   49    52    55    56   3.62500 -1.0 2.0
   49    52    55    60   3.62500 -1.0 2.0
   52    49    71    66   3.62500 -1.0 2.0
   52    49    71    72   3.62500 -1.0 2.0
   52    55   -60    66   3.62500 -1.0 2.0
   52    55    60    67   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    60   3.62500 -1.0 2.0
   55    60    66    71   3.62500 -1.0 2.0
   55    60    66    73   3.62500 -1.0 2.0
   55    60    67    68   0.84100 -1.0 2.0
   56    55    60    66   3.62500 -1.0 2.0
   56    55    60    67   3.62500 -1.0 2.0
   60    66   -71    49   3.62500 -1.0 2.0
   60    66    71    72   3.62500 -1.0 2.0
   60    66    73    74   0.00000  1.0 1.0
   60    66    73    75   0.00000  1.0 1.0
   60    66    73    77   0.18050 -1.0 2.0
   66    60    67    68   0.84100 -1.0 2.0
   66    73    77    78   0.00000  1.0 1.0
   66    73    77    87   1.44450  1.0 1.0
   66    73    77    87   0.06600 -1.0 2.0
   66    73    77    87   0.29250  1.0 3.0
   71    49    52    53   3.62500 -1.0 2.0
   71    49   -52    55   3.62500 -1.0 2.0
   71    66    73    74   0.00000  1.0 1.0
   71    66    73    75   0.00000  1.0 1.0
   71    66    73    77   0.18050 -1.0 2.0
   73    66    71    49   3.62500 -1.0 2.0
   73    66    71    72   3.62500 -1.0 2.0
   73    77    87    88   7.00000 -1.0 2.0
   73    77    87    92   7.00000 -1.0 2.0
   74    73    77    78   0.33100  1.0 3.0
   74    73    77    87   0.00000  1.0 1.0
   75    73    77    78   0.33100  1.0 3.0
   75    73    77    87   0.00000  1.0 1.0
   77    87    88    89   0.00000  1.0 1.0
   77    87    88    90   0.00000  1.0 1.0
   77    87    88    91   0.00000  1.0 1.0
   77    87    92    93   0.00000  1.0 1.0
   77    87    92    94   0.00000  1.0 1.0
   77    87    92    95   0.00000  1.0 1.0
   78    77    87    88   7.00000 -1.0 2.0
   78    77    87    92   7.00000 -1.0 2.0
   88    87    92    93   0.34800  1.0 3.0
   88    87    92    94   0.34800  1.0 3.0
   88    87    92    95   0.34800  1.0 3.0
   92    87    88    89   0.34800  1.0 3.0
   92    87    88    90   0.34800  1.0 3.0
   92    87    88    91   0.34800  1.0 3.0
   67    60    66    71   3.62500 -1.0 2.0
   67    60    66    73   3.62500 -1.0 2.0
   40    38    39    42  -1.93650  1.0 1.0
   40    38    39    42   2.17750 -1.0 2.0
   40    38    39    42  -0.40250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   40    44    61    57   3.62500 -1.0 2.0
   40    44    61    62   3.62500 -1.0 2.0
   41    40    44    47   0.56550  1.0 3.0
   41    40    44    61   0.56550  1.0 3.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    54   3.62500 -1.0 2.0
   47    44    61    57   3.62500 -1.0 2.0
   47    44    61    62   3.62500 -1.0 2.0
   47    50   -54    57   3.62500 -1.0 2.0
   47    50    54    58   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    54   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   50    54    57    63   3.62500 -1.0 2.0
   50    54    58    59   0.84100 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    57   -61    44   3.62500 -1.0 2.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    63    64   0.00000  1.0 1.0
   54    57    63    65   0.00000  1.0 1.0
   54    57    63    69   0.18050 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    63    69    70   0.00000  1.0 1.0
   57    63    69    76   1.44450  1.0 1.0
   57    63    69    76   0.06600 -1.0 2.0
   57    63    69    76   0.29250  1.0 3.0
   61    44    47    48   3.62500 -1.0 2.0
   61    44   -47    50   3.62500 -1.0 2.0
   61    57    63    64   0.00000  1.0 1.0
   61    57    63    65   0.00000  1.0 1.0
   61    57    63    69   0.18050 -1.0 2.0
   63    57    61    44   3.62500 -1.0 2.0
   63    57    61    62   3.62500 -1.0 2.0
   63    69    76    79   7.00000 -1.0 2.0
   63    69    76    83   7.00000 -1.0 2.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    76   0.00000  1.0 1.0
   65    63    69    70   0.33100  1.0 3.0
   65    63    69    76   0.00000  1.0 1.0
   69    76    79    80   0.00000  1.0 1.0
   69    76    79    81   0.00000  1.0 1.0
   69    76    79    82   0.00000  1.0 1.0
   69    76    83    84   0.00000  1.0 1.0
   69    76    83    85   0.00000  1.0 1.0
   69    76    83    86   0.00000  1.0 1.0
   70    69    76    79   7.00000 -1.0 2.0
   70    69    76    83   7.00000 -1.0 2.0
   79    76    83    84   0.34800  1.0 3.0
   79    76    83    85   0.34800  1.0 3.0
   79    76    83    86   0.34800  1.0 3.0
   83    76    79    80   0.34800  1.0 3.0
   83    76    79    81   0.34800  1.0 3.0
   83    76    79    82   0.34800  1.0 3.0
   58    54    57    61   3.62500 -1.0 2.0
   58    54    57    63   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
   39    45    42    43  10.50000 -1.0 2.0
   52    71    49    45   4.00000 -1.0 2.0
   55    53    52    49   1.10000 -1.0 2.0
   60    56    55    52   1.10000 -1.0 2.0
   66    67    60    55   4.00000 -1.0 2.0
   71    73    66    60   4.00000 -1.0 2.0
   66    72    71    49   1.10000 -1.0 2.0
   73    78    77    87  15.00000 -1.0 2.0
   88    92    87    77  15.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    61    44    40   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   57    58    54    50   4.00000 -1.0 2.0
   61    63    57    54   4.00000 -1.0 2.0
   57    62    61    44   1.10000 -1.0 2.0
   63    70    69    76  15.00000 -1.0 2.0
   79    83    76    69  15.00000 -1.0 2.0
END
