* LIGAND DATABASE FILE (OPLS2005)
*
001      95    99    192    309     575
    1     0 S   NP   _N1_     1    28.84822    96.52681   -21.08183
    2     1 S   H    _HN1     2     1.02775    89.37020   -90.31197
    3     1 S   H    _H1_     3     1.02953    77.51162    18.66946
    4     1 S   H    _H2_     4     1.02824    42.64324   151.90761
    5     1 S   CT   _CA1     5     1.50170   151.76625   128.55255
    6     5 S   HC   _HA1     6     1.09563   105.20415    76.06315
    7     5 S   CO3  _C1_     7     1.53864   112.17563   -44.20742
    8     7 S   O2Z  _O11     8     1.26410   114.92541   -43.84220
    9     7 S   O2Z  _O12     9     1.26246   114.93309   134.71074
   10     5 S   CT   _CB1    10     1.53024   107.36386  -165.87120
   11    10 S   HC   HB11    11     1.09828   109.58740   -47.37392
   12    10 S   HC   HB12    12     1.09820   110.35979    69.29092
   13    10 S   CT   _CG1    13     1.52966   112.59978  -168.29725
   14    13 S   HC   HG11    14     1.09489   110.55835   -60.52185
   15    13 S   HC   HG12    15     1.09648   110.00021    58.59977
   16    13 S   C    _CD1    16     1.51800   112.06691   178.80958
   17    16 S   O    _OE1    17     1.22753   123.26061    -4.03022
   18    16 S   N    _N2_    18     1.38556   111.74627   176.34259
   19    18 S   H    _HN2    19     1.01611   119.03368     0.38512
   20    18 S   CT1  _CA2    20     1.46148   123.45199  -179.03126
   21    20 S   HC   _HA2    21     1.09728   109.27707    -0.99564
   22    20 S   C    _C2_    22     1.53388   108.96444  -116.77910
   23    22 S   O    _O2_    23     1.23070   122.20355  -149.49707
   24    20 S   CT   _CB2    32     1.53389   111.42179   120.66911
   25    24 S   HC   HB21    33     1.09442   110.11645    61.87039
   26    24 S   HC   HB22    34     1.09545   110.34489   179.58551
   27    22 S   N    _N3_    24     1.38323   113.73327    38.04503
   28    27 S   H    _HN3    25     1.01618   119.50646    -3.88383
   29    24 S   S    _SG2    35     1.82916   111.37296   -61.53772
   30    27 S   CT   _CA3    26     1.45285   123.10354   176.88580
   31    30 S   HC   HA31    27     1.09554   107.54379   -63.08919
   32    30 S   HC   HA32    28     1.09560   107.90977    53.29207
   33    29 S   CT   _C17    36     1.85831   100.58363   139.10076
   34    33 S   HC   _H3_    37     1.09682   105.96727    33.59232
   35    30 S   CO3  _C3_    29     1.52929   114.19625   175.25492
   36    35 S   O2Z  _O31    30     1.26358   116.09168    -0.99150
   37    35 S   O2Z  _O32    31     1.26439   114.40090   179.06686
   38    33 S   CT   _C9_    38     1.54754   111.91826   -84.73382
   39    38 S   HC   _H37    39     1.09418   108.25610   169.92717
   40    38 S   CO4  _C4_    40     1.53511   108.47466   -72.07023
   41    40 S   O    _O23    41     1.23041   120.81642   113.76625
   42    38 S   OS   _O29    91     1.42165   110.98093    52.50468
   43    40 S   CT   _C18    42     1.55363   116.03530   -61.97627
   44    42 S   CT   _C25    92     1.42216   113.36536   160.44687
   45    44 S   HC   _H58    93     1.09337   108.13833   178.37298
   46    44 S   HC   _H59    94     1.09350   111.30130    59.36212
   47    44 S   HC   _H60    95     1.09416   110.35798   -63.16152
   48    43 S   CT   _C11    43     1.57076   102.22144    62.99326
   49    48 S   HC   _H39    44     1.10009   106.54644    55.76947
   50    43 S   CT   _C22    87     1.54127   108.39778   -58.46760
   51    50 S   HC   _H49    88     1.08727   113.06508  -178.72374
   52    50 S   HC   _H50    89     1.09180   113.64903    61.35004
   53    50 S   HC   _H51    90     1.09570   110.94834   -57.54552
   54    48 S   CT   _C7_    45     1.53755   112.43196   169.96023
   55    54 S   HC   _H33    46     1.09366   110.22142    67.05276
   56    54 S   HC   _H34    47     1.09623   109.32118  -176.23766
   57    33 S   CT   _C13    81     1.56586   111.34813   150.80743
   58    57 S   HC   _H41    82     1.09682   106.94988  -170.33674
   59    54 S   CT   _C14    48     1.54209   111.73577   -58.15342
   60    59 S   HC   _H42    49     1.09834   107.77248   179.44645
   61    57 S   CT   _C21    83     1.53673   111.68144   -56.20344
   62    61 S   HC   _H46    84     1.09440   112.21458    77.28000
   63    61 S   HC   _H47    85     1.09543   110.90021   -44.13976
   64    61 S   HC   _H48    86     1.09524   110.64759  -162.38405
   65    59 S   CT   _C19    50     1.54163   112.69780    57.74125
   66    65 S   CT   _C10    51     1.58166   109.05181  -170.96004
   67    66 S   HC   _H38    52     1.10036   106.93945   -67.46605
   68    65 S   CT   _C23    77     1.55956   105.78403    73.34156
   69    68 S   HC   _H52    78     1.09091   113.29873   -43.22236
   70    68 S   HC   _H53    79     1.08980   114.21494  -165.31709
   71    68 S   HC   _H54    80     1.09728   110.47296    74.16243
   72    66 S   CT   _C6_    53     1.53422   111.11254    48.10462
   73    72 S   HC   _H31    54     1.09701   108.57497  -162.84051
   74    72 S   HC   _H32    55     1.09447   111.93299    79.09800
   75    66 S   CT   _C20    59     1.57790   112.99852   174.42290
   76    72 S   CO4  _C5_    56     1.50151   115.94085   -43.15481
   77    76 S   O    _O24    57     1.22787   121.72152  -150.06875
   78    75 S   CT   _C16    60     1.53267   109.51886   -50.29912
   79    78 S   HC   _H44    61     1.09921   109.57713   -68.86106
   80    75 S   CT   _C24    71     1.53350   113.47718  -174.13525
   81    80 S   HC   _H55    72     1.09631   110.84063  -170.98888
   82    80 S   HC   _H56    73     1.09423   112.34612    68.17845
   83    80 S   HC   _H57    74     1.09594   110.67355   -53.29228
   84    75 S   OH   _O28    75     1.43256   109.04074    68.23375
   85    84 S   HO   _H61    76     0.97247   108.01615    62.41747
   86    59 S   OS   _O25    58     1.44220   106.38314   -67.48654
   87    78 S   CT   _C15    62     1.51499   113.05679    54.40060
   88    87 S   HC   _H43    63     1.09452   111.56838    60.78963
   89    43 S   CT   _C12    64     1.57211   111.03001   179.48871
   90    89 S   HC   _H40    65     1.10002   103.44400   -44.59104
   91    87 S   OS   _O26    66     1.42406   101.06093   171.89751
   92    91 S   CO   _C8_    67     1.44021   103.11641   -37.06205
   93    92 S   HC   _H35    68     1.09305   109.34836   136.35868
   94    92 S   HC   _H36    69     1.09412   109.46438  -103.73491
   95    78 S   OS   _O27    70     1.42769   116.01690   171.64659
  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  10   5   4   3
  17   8   2   1   1  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  20  24  10   9   3   2   1  10   5   4  15   2   1  16   8   7
   3   2   1   3   1   1   8   5   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    89    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    87    89    90    57    50    51    52    53    42    44  
   43    48    89    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    66    78    87    88    89    90    91    68    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    86    87    89    90    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    89    57    58    61    50  
   51    52    53    54    57    65    87    89    90  
   52    53    89  
   53    89  
   89  
   55    56    59    60    65    66    76    86    89    68    57    58    61  
   56    59    60    65    86    57  
   59    60    65    86    57  
   58    61    62    63    64    59    89  
   61    62    63    64  
   60    65    66    67    72    76    77    86    75    87    89    90    68    69    70    71  
   65    66    76    86    89    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    73    74    76    86    75    78    87    88    89    90    91    80    84    68    69    70    71  
   67    72    73    74    76    77    86    75    78    79    87    89    90    95    80    81    82    83    84    85    68    69    70    71  
   72    73    74    76    75    78    89    80    84    68  
   69    70    71    72    75    86    87    89    90  
   70    71    89  
   71    89  
   89  
   73    74    76    77    86    75    78    89    80    84  
   74    76    77    86    75  
   76    77    86    75  
   78    79    87    88    89    91    92    95    80    81    82    83    84    85    76  
   77    86  
   86  
   79    87    88    89    90    91    92    93    94    95    80    81    82    83    84    85  
   87    88    89    91    92    95    80    84  
   81    82    83    84    85    87    95  
   82    83    84  
   83    84  
   84  
   85    87    95  
    0  
   89  
   88    89    90    91    92    93    94    95  
   89    90    91    92    95  
   90    91    92    95  
   91  
   92    93    94    95  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   95   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    89   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    86   320.000  1.410
   65    66   268.000  1.529
   65    89   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.522
   76    77   570.000  1.229
   76    86   214.000  1.327
   75    78   268.000  1.529
   75    80   268.000  1.529
   75    84   320.000  1.410
   78    79   340.000  1.090
   78    87   268.000  1.529
   78    95   320.000  1.410
   87    88   340.000  1.090
   87    89   268.000  1.529
   87    91   320.000  1.410
   89    90   340.000  1.090
   91    92   320.000  1.380
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   320.000  1.380
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    89    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    89    65    58.35000  112.70000
   43    89    87    58.35000  112.70000
   43    89    90    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    86    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    58.35000  112.70000
   59    65    89    58.35000  112.70000
   59    65    68    58.35000  112.70000
   59    86    76    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    75    58.35000  112.70000
   65    89    87    58.35000  112.70000
   65    89    90    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    76    63.00000  111.10000
   66    75    78    58.35000  112.70000
   66    75    80    58.35000  112.70000
   66    75    84    50.00000  109.50000
   72    66    67    37.50000  110.70000
   72    76    77    80.00000  120.40000
   72    76    86    81.00000  111.40000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   86    59    60    35.00000  109.50000
   86    59    65    50.00000  109.50000
   86    76    77    83.00000  123.40000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    87    58.35000  112.70000
   75    78    95    50.00000  109.50000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   75    84    85    55.00000  108.50000
   78    87    88    37.50000  110.70000
   78    87    89    58.35000  112.70000
   78    87    91    50.00000  109.50000
   78    95    92    60.00000  109.50000
   87    78    79    37.50000  110.70000
   87    89    90    37.50000  110.70000
   87    91    92    60.00000  109.50000
   89    43    48    58.35000  112.70000
   89    65    66    58.35000  112.70000
   89    87    88    37.50000  110.70000
   91    87    88    35.00000  109.50000
   91    87    89    50.00000  109.50000
   91    92    93    35.00000  109.50000
   91    92    94    35.00000  109.50000
   91    92    95    92.60000  111.55000
   94    92    93    33.00000  109.50000
   95    78    79    35.00000  109.50000
   95    78    87    50.00000  109.50000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   80    75    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    75    78    50.00000  109.50000
   84    75    80    50.00000  109.50000
   68    65    66    58.35000  112.70000
   68    65    89    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    89    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.44750  1.0 1.0
   29    33    57    61  -0.17800 -1.0 2.0
   29    33    57    61   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    44   0.06250  1.0 1.0
   33    38    42    44  -0.01100 -1.0 2.0
   33    38    42    44   0.28050  1.0 3.0
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   50    43    89    90   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   72    86    76    77  10.50000 -1.0 2.0
END
