* LIGAND DATABASE FILE (OPLS2005)
*
001      94    93    176    257     520
    1     0 S   NP   _N1_     1    28.81388    95.13410   -20.04891
    2     1 S   H    _HN1     2     1.02850    36.02248   147.97062
    3     1 S   H    _H1_     3     1.02792    79.47023   -70.41763
    4     1 S   H    _H2_     4     1.02951    96.09721    37.03523
    5     1 S   CT   _CA1     5     1.50048   144.33022   176.11652
    6     5 S   HC   _HA1     6     1.09577   105.33196    42.26494
    7     5 S   CO3  _C1_     7     1.53864   112.10212   -78.02259
    8     7 S   O2Z  _O11     8     1.26354   115.12240   -53.95135
    9     7 S   O2Z  _O12     9     1.26222   114.86204   125.39174
   10     5 S   CT   _CB1    10     1.53104   107.45951   160.05585
   11    10 S   HC   HB11    11     1.09816   109.59282   -51.25857
   12    10 S   HC   HB12    12     1.09828   110.37119    65.31869
   13    10 S   CT   _CG1    13     1.53002   112.48209  -172.36740
   14    13 S   HC   HG11    14     1.09514   110.29530   -56.27169
   15    13 S   HC   HG12    15     1.09606   110.25757    62.82430
   16    13 S   C    _CD1    16     1.51743   111.96635  -176.86587
   17    16 S   O    _OE1    17     1.22729   123.08963   -16.60769
   18    16 S   N    _N2_    18     1.38576   111.78449   163.88522
   19    18 S   H    _HN2    19     1.01592   119.03899     2.46132
   20    18 S   CT1  _CA2    20     1.46259   123.38768  -176.70497
   21    20 S   HC   _HA2    21     1.09727   109.40524   -17.60063
   22    20 S   C    _C2_    22     1.53358   108.08376  -133.45449
   23    22 S   O    _O2_    23     1.22993   122.31473  -143.77058
   24    20 S   CT   _CB2    32     1.53508   111.16061   104.58158
   25    24 S   HC   HB21    33     1.09463   109.54534    54.56268
   26    24 S   HC   HB22    34     1.09512   110.69609   172.99296
   27    22 S   N    _N3_    24     1.38523   113.23687    43.37805
   28    27 S   H    _HN3    25     1.01538   118.94177    -0.32385
   29    24 S   S    _SG2    35     1.82876   111.81166   -67.70125
   30    27 S   CT   _CA3    26     1.45456   123.39472   175.12762
   31    30 S   HC   HA31    27     1.09526   109.17529    25.29913
   32    30 S   HC   HA32    28     1.09493   107.12651   142.31110
   33    29 S   CT   _C21    36     1.82410   100.03588   154.72821
   34    33 S   HC   _H36    37     1.09615   108.08823    47.03744
   35    33 S   HC   _H37    38     1.09583   107.11429   161.39979
   36    30 S   CO3  _C3_    29     1.52942   113.20006   -98.12398
   37    36 S   O2Z  _O31    30     1.26396   115.45286   -42.72562
   38    36 S   O2Z  _O32    31     1.26362   114.94469   138.21294
   39    33 S   CT   _C20    39     1.53911   113.77407   -76.42305
   40    39 S   HC   _H4_    40     1.09365   110.10979    63.58419
   41    39 S   CT   _C19    41     1.54484   114.68403   -62.25283
   42    41 S   HC   _H3_    42     1.09608   109.23649    60.92056
   43    39 S   NP   _N4_    91     1.50127   106.70537   177.29231
   44    43 S   H    _H38    92     1.02829   111.76610  -170.67209
   45    43 S   H    _H39    93     1.02982   110.80867    69.52739
   46    43 S   H    _H40    94     1.02867   111.93431   -50.80409
   47    41 S   CT   _C18    43     1.53746   115.52580  -177.15579
   48    47 S   HC   _H34    44     1.09802   108.11876   179.06896
   49    47 S   HC   _H35    45     1.09694   110.45003    65.10196
   50    41 S   OH   _O33    89     1.43062   108.68647   -55.51969
   51    50 S   HO   _H41    90     0.97362   107.45130   173.77984
   52    47 S   CT   _C17    46     1.52831   113.59256   -59.39458
   53    52 S   HC   _H32    47     1.09557   110.09713    65.95803
   54    52 S   HC   _H33    48     1.09578   109.58573   -51.82601
   55    52 S   CT   _C16    49     1.52987   111.27358  -173.09533
   56    55 S   HC   _H30    50     1.09678   109.57754   -59.52648
   57    55 S   HC   _H31    51     1.09662   109.63074    57.75729
   58    55 S   CT   _C15    52     1.52945   111.24555   179.08957
   59    58 S   HC   _H28    53     1.09679   109.55262    59.77544
   60    58 S   HC   _H29    54     1.09675   109.61537   -57.48176
   61    58 S   CT   _C14    55     1.52931   111.31436  -178.82098
   62    61 S   HC   _H26    56     1.09679   109.57421   -58.78580
   63    61 S   HC   _H27    57     1.09685   109.55604    58.51230
   64    61 S   CT   _C13    58     1.52951   111.31249   179.82529
   65    64 S   HC   _H24    59     1.09683   109.56144   -58.61463
   66    64 S   HC   _H25    60     1.09681   109.56988    58.67220
   67    64 S   CT   _C12    61     1.52955   111.32790  -179.96044
   68    67 S   HC   _H22    62     1.09681   109.56799    58.62277
   69    67 S   HC   _H23    63     1.09681   109.56551   -58.66572
   70    67 S   CT   _C11    64     1.52959   111.32761   180.00000
   71    70 S   HC   _H20    65     1.09681   109.56688    58.61914
   72    70 S   HC   _H21    66     1.09681   109.56607   -58.66749
   73    70 S   CT   _C10    67     1.52958   111.33089   179.97202
   74    73 S   HC   _H18    68     1.09681   109.56773    58.63828
   75    73 S   HC   _H19    69     1.09682   109.56478   -58.64815
   76    73 S   CT   _C9_    70     1.52959   111.33069   180.00000
   77    76 S   HC   _H16    71     1.09681   109.56689    58.61173
   78    76 S   HC   _H17    72     1.09681   109.56642   -58.67599
   79    76 S   CT   _C8_    73     1.52959   111.32876   179.95577
   80    79 S   HC   _H14    74     1.09682   109.56386   -58.64371
   81    79 S   HC   _H15    75     1.09682   109.56749    58.64195
   82    79 S   CT   _C7_    76     1.52961   111.33297   179.98022
   83    82 S   HC   _H12    77     1.09682   109.56651    58.61494
   84    82 S   HC   _H13    78     1.09682   109.56672   -58.67224
   85    82 S   CT   _C6_    79     1.52957   111.33143   179.97202
   86    85 S   HC   _H10    80     1.09685   109.57631    58.63496
   87    85 S   HC   _H11    81     1.09686   109.57436   -58.63462
   88    85 S   CT   _C5_    82     1.52848   111.33008  -180.00000
   89    88 S   HC   _H8_    83     1.09623   109.86586   -58.88058
   90    88 S   HC   _H9_    84     1.09623   109.86671    58.84791
   91    88 S   CT   _C4_    85     1.52036   111.49424   180.00000
   92    91 S   HC   _H5_    86     1.09470   111.00049   -60.26664
   93    91 S   HC   _H6_    87     1.09450   110.26099   179.97202
   94    91 S   HC   _H7_    88     1.09469   111.00112    60.25343
  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   7   5   4   3
  12   5   4   2   1   1  13   8  14   7   5   2   1   1  11   6
   5   2   1   9   5   4   9   5   4   9   5   4   9   5   4   9
   5   4   9   5   4   9   5   4   9   5   4   9   5   4   9   5
   4   9   5   4   9   5   4   6   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    50    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    49    52    50    51    43    44    45    46  
   41    42    47    50    43    44    45    46  
   42    47    48    49    52    53    54    55    50    51    43    44    45    46  
   47    48    49    52    50    51    43  
   44    45    46    47    50  
   45    46  
   46  
    0  
   48    49    52    53    54    55    56    57    58    50    51  
   49    52    53    54    55    50  
   52    53    54    55    50  
   51    52  
    0  
   53    54    55    56    57    58    59    60    61  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90    91    92    93    94  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94  
   90    91    92    93    94  
   91    92    93    94  
   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  -0.335000   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   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   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   367.000  1.471
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   50    51   553.000  0.945
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    46   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    80.00000  111.20000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    47    58.35000  112.70000
   39    41    50    50.00000  109.50000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   41    39    40    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    52    58.35000  112.70000
   41    50    51    55.00000  108.50000
   47    41    42    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   50    41    42    35.00000  109.50000
   50    41    47    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    80.00000  111.20000
   45    43    44    35.00000  109.50000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    47   0.56750  1.0 1.0
   33    39    41    47  -0.07550 -1.0 2.0
   33    39    41    47   0.20000  1.0 3.0
   33    39    41    50   0.86500  1.0 1.0
   33    39    41    50  -0.17500 -1.0 2.0
   33    39    41    50   0.20800  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    45   0.17350  1.0 3.0
   33    39    43    46   0.17350  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.19200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.19200  1.0 3.0
   39    41    47    48   0.15000  1.0 3.0
   39    41    47    49   0.15000  1.0 3.0
   39    41    47    52   0.56750  1.0 1.0
   39    41    47    52  -0.07550 -1.0 2.0
   39    41    47    52   0.20000  1.0 3.0
   39    41    50    51  -0.11600  1.0 1.0
   39    41    50    51  -0.09450 -1.0 2.0
   39    41    50    51   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    47   0.15000  1.0 3.0
   40    39    41    50   0.23400  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    45   0.13050  1.0 3.0
   40    39    43    46   0.13050  1.0 3.0
   41    39    43    44   0.17350  1.0 3.0
   41    39    43    45   0.17350  1.0 3.0
   41    39    43    46   0.17350  1.0 3.0
   41    47    52    53   0.15000  1.0 3.0
   41    47    52    54   0.15000  1.0 3.0
   41    47    52    55   0.56750  1.0 1.0
   41    47    52    55  -0.07550 -1.0 2.0
   41    47    52    55   0.20000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    52   0.15000  1.0 3.0
   42    41    50    51   0.19450  1.0 3.0
   47    41    50    51  -0.11600  1.0 1.0
   47    41    50    51  -0.09450 -1.0 2.0
   47    41    50    51   0.21250  1.0 3.0
   47    52    55    56   0.15000  1.0 3.0
   47    52    55    57   0.15000  1.0 3.0
   47    52    55    58   0.56750  1.0 1.0
   47    52    55    58  -0.07550 -1.0 2.0
   47    52    55    58   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55   0.15000  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60   0.15000  1.0 3.0
   52    55    58    61   0.56750  1.0 1.0
   52    55    58    61  -0.07550 -1.0 2.0
   52    55    58    61   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    64   0.56750  1.0 1.0
   55    58    61    64  -0.07550 -1.0 2.0
   55    58    61    64   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.56750  1.0 1.0
   58    61    64    67  -0.07550 -1.0 2.0
   58    61    64    67   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.56750  1.0 1.0
   79    82    85    88  -0.07550 -1.0 2.0
   79    82    85    88   0.20000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   82    85    88    89   0.15000  1.0 3.0
   82    85    88    90   0.15000  1.0 3.0
   82    85    88    91   0.56750  1.0 1.0
   82    85    88    91  -0.07550 -1.0 2.0
   82    85    88    91   0.20000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   85    88    91    92   0.15000  1.0 3.0
   85    88    91    93   0.15000  1.0 3.0
   85    88    91    94   0.15000  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   89    88    91    92   0.15000  1.0 3.0
   89    88    91    93   0.15000  1.0 3.0
   89    88    91    94   0.15000  1.0 3.0
   90    88    91    92   0.15000  1.0 3.0
   90    88    91    93   0.15000  1.0 3.0
   90    88    91    94   0.15000  1.0 3.0
   50    41    47    48   0.23400  1.0 3.0
   50    41    47    49   0.23400  1.0 3.0
   50    41    47    52   0.86500  1.0 1.0
   50    41    47    52  -0.17500 -1.0 2.0
   50    41    47    52   0.20800  1.0 3.0
   43    39    41    42   0.19200  1.0 3.0
   43    39    41    47   1.36600  1.0 1.0
   43    39    41    47  -0.11450 -1.0 2.0
   43    39    41    47   0.24250  1.0 3.0
   43    39    41    50   1.69300  1.0 1.0
   43    39    41    50  -0.48450 -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
   37    30    36    38  10.50000 -1.0 2.0
END
