* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    168    264     492
    1     0 S   NP   _N1_     1    28.64172    93.84528   -22.09552
    2     1 S   H    _HN1     2     1.02778    94.22671   -80.04670
    3     1 S   H    _H1_     3     1.02957    92.53320    28.54499
    4     1 S   H    _H2_     4     1.02837    25.07840   155.29911
    5     1 S   CT   _CA1     5     1.50131   135.78892   151.63973
    6     5 S   HC   _HA1     6     1.09572   105.23420    60.89502
    7     5 S   CO3  _C1_     7     1.53835   112.28836   -59.31900
    8     7 S   O2Z  _O11     8     1.26373   115.01989   -44.71701
    9     7 S   O2Z  _O12     9     1.26227   114.95171   134.36883
   10     5 S   CT   _CB1    10     1.53103   107.40789   178.81535
   11    10 S   HC   HB11    11     1.09820   109.44772   -49.87858
   12    10 S   HC   HB12    12     1.09823   110.37439    66.72167
   13    10 S   CT   _CG1    13     1.52998   112.63694  -170.96743
   14    13 S   HC   HG11    14     1.09513   110.27789   -61.32197
   15    13 S   HC   HG12    15     1.09636   110.09011    57.77266
   16    13 S   C    _CD1    16     1.51841   112.26737   178.06053
   17    16 S   O    _OE1    17     1.22735   123.19531    -7.58530
   18    16 S   N    _N2_    18     1.38612   111.74208   172.85993
   19    18 S   H    _HN2    19     1.01616   118.93686     0.43969
   20    18 S   CT1  _CA2    20     1.46311   123.44359  -178.46201
   21    20 S   HC   _HA2    21     1.09727   109.41118   -11.06657
   22    20 S   C    _C2_    22     1.53385   108.43048  -126.88813
   23    22 S   O    _O2_    23     1.23021   122.18727  -145.96024
   24    20 S   CT   _CB2    32     1.53499   111.22922   110.98150
   25    24 S   HC   HB21    33     1.09325   109.17425    56.86141
   26    24 S   HC   HB22    34     1.09504   110.75054   175.21865
   27    22 S   N    _N3_    24     1.38488   113.40263    41.40071
   28    27 S   H    _HN3    25     1.01527   118.90553    -0.68357
   29    24 S   S    _SG2    35     1.82686   111.33147   -65.30861
   30    27 S   CT   _CA3    26     1.45454   123.48217   175.09887
   31    30 S   HC   HA31    27     1.09521   109.26015    23.78428
   32    30 S   HC   HA32    28     1.09496   107.11139   140.79509
   33    29 S   CT   _C25    36     1.84656   100.57714   158.24388
   34    33 S   HC   _H3_    37     1.09604   106.41084    51.33980
   35    30 S   CO3  _C3_    29     1.52927   113.11899   -99.70948
   36    35 S   O2Z  _O31    30     1.26402   115.41410   -44.09020
   37    35 S   O2Z  _O32    31     1.26357   114.97796   136.84289
   38    33 S   CT   _C24    38     1.55792   113.65945   -68.09772
   39    38 S   HC   _H53    39     1.09566   107.07910    71.35330
   40    33 S   OS   _O27    85     1.43541   110.65361   169.63986
   41    38 S   CO4  _C14    40     1.52567   111.38396   -43.31986
   42    41 S   O    _O25    41     1.22614   122.75923   115.89634
   43    38 S   CT   _C21    47     1.56985   114.60240  -169.19068
   44    43 S   HC   _H46    48     1.09910   107.51351    63.22084
   45    40 S   CT   _C23    86     1.42170   113.52338   -83.21163
   46    45 S   HC   _H50    87     1.09336   108.15153  -179.77706
   47    45 S   HC   _H51    88     1.09344   111.16382    61.31431
   48    45 S   HC   _H52    89     1.09407   110.51921   -61.29957
   49    41 S   OS   _O26    42     1.36133   111.54952   -64.38862
   50    43 S   CT   _C16    49     1.55286   111.92551   179.98022
   51    50 S   HC   _H38    50     1.09566   110.34106   -51.17929
   52    50 S   HC   _H39    51     1.09909   109.10052  -165.63287
   53    43 S   CT   _C20    78     1.55628   112.62070   -56.49978
   54    53 S   HC   _H45    79     1.09475   109.53125    42.67847
   55    49 S   CT   _C22    43     1.43046   115.12855   178.35741
   56    55 S   HC   _H47    44     1.09317   108.12481   178.48406
   57    55 S   HC   _H48    45     1.09426   110.45260    59.67641
   58    55 S   HC   _H49    46     1.09408   110.02615   -62.95172
   59    50 S   CT   _C19    52     1.53605   112.34721    72.69534
   60    59 S   HC   _H44    53     1.09824   109.80783   -61.60296
   61    53 S   CM   _C13    80     1.51743   111.11996   160.45533
   62    61 S   HC   _H35    81     1.08736   118.06863    66.67882
   63    59 S   C5A  _C11    54     1.49902   112.53562   179.71333
   64    61 S   CM   _C12    82     1.33857   123.83048  -113.50515
   65    64 S   HC   _H33    83     1.08476   120.43290  -179.92087
   66    64 S   HC   _H34    84     1.08440   121.69111     0.21489
   67    63 S   C5B  _C9_    55     1.37937   125.05695  -140.10126
   68    63 S   NA   _N23    66     1.36641   126.63121    44.01087
   69    68 S   H    _H55    67     1.01079   125.62498    -1.87795
   70    67 S   C56B _C8_    56     1.42054   107.75395  -178.10081
   71    67 S   CT   _C15    68     1.48921   121.08827     2.50640
   72    71 S   HC   _H36    69     1.09703   108.71607   105.38870
   73    71 S   HC   _H37    70     1.09556   110.56041  -136.53540
   74    70 S   CA   _C6_    57     1.40916   134.47372  -179.26832
   75    74 S   HA   _H31    58     1.08615   120.72253     0.20842
   76    71 S   CT   _C17    71     1.54802   110.81648   -14.93076
   77    76 S   HC   _H40    72     1.09686   107.66794   166.26472
   78    76 S   HC   _H41    73     1.09835   109.98178   -77.30425
   79    74 S   CA   _C4_    59     1.39951   119.27295  -179.79633
   80    79 S   HA   _H29    60     1.08686   119.52185  -179.97202
   81    59 S   NT   _N24    74     1.48703   109.06035    58.48294
   82    79 S   CA   _C5_    61     1.39329   120.76282     0.07402
   83    82 S   HA   _H30    62     1.08714   119.56085   179.94405
   84    81 S   CT   _C18    75     1.46745   111.26933   -61.50764
   85    84 S   HC   _H42    76     1.09767   110.40831   -62.36307
   86    84 S   HC   _H43    77     1.09806   109.62884  -179.39155
   87    82 S   CA   _C7_    63     1.39785   121.04843    -0.00000
   88    87 S   HA   _H32    64     1.08497   120.92316   179.91377
   89    70 S   C56A _C10    65     1.39905   106.79142     0.95757
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  17   8   6  10   3  17   8   3   2   1   1
   4  13   6   5  12   7   3   2   1   1  15   6   8   4  13   3
   1   1  15   9   3  12   9   5   4   7   4   6   3   2   6   3
   3   4   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    43    44    50    53    40    45    46    47    48  
   38    39    41    43    40    45  
   36    37  
   37  
    0  
   39    41    42    49    55    43    44    50    51    52    59    84    53    54    61    40    45  
   41    42    49    43    44    50    53    40  
   45    46    47    48    41    43  
   42    49    55    56    57    58    43    44    50    53  
   49    55    43  
   44    50    51    52    59    60    63    81    84    85    86    53    54    61    62    64    49  
   50    51    52    59    84    53    54    61  
   46    47    48  
   47    48  
   48  
    0  
   55    56    57    58  
   51    52    59    60    63    67    68    76    81    84    53    54    61  
   52    59    60    63    81    53  
   59    60    63    81    53  
   54    61    62    64    65    66    59    76    81    84    85    86  
   61    62    64    81    84    85    86  
   56    57    58  
   57    58  
   58  
    0  
   60    63    67    70    89    68    69    71    76    77    78    81    84    85    86  
   63    67    68    76    81    84  
   62    64    65    66    81    84    85    86  
   64    65    66    84  
   67    70    74    87    89    68    69    71    72    73    76    81    84  
   65    66    84  
   66  
    0  
   70    74    75    79    87    89    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    82    87    88    89  
   70    87    89  
   74    75    79    80    82    87    88    89    71    72    73    76  
   72    73    76    77    78    81    84    74    89  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    82    83    87    89  
   79    80    82    89  
   77    78    81    84    85    86  
   78    81    84  
   81    84  
   80    82    83    87    88    89  
   82    83    87  
   84    85    86  
   83    87    88    89  
   87    88    89  
   85    86  
   86  
    0  
   88    89  
   89  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   82   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    43   268.000  1.529
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   295.000  1.489
   59    81   382.000  1.448
   63    67   520.000  1.370
   63    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    89   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    82   469.000  1.400
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   382.000  1.448
   81    84   382.000  1.448
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    53   268.000  1.529
   53    54   340.000  1.090
   53    61   317.000  1.510
   61    62   340.000  1.080
   61    64   549.000  1.340
   64    65   340.000  1.080
   64    66   340.000  1.080
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    43    58.35000  112.70000
   33    40    45    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    49    81.00000  111.40000
   38    43    44    37.50000  110.70000
   38    43    50    58.35000  112.70000
   38    43    53    58.35000  112.70000
   41    38    39    35.00000  109.50000
   41    49    55    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    41    63.00000  111.10000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    59    58.35000  112.70000
   43    53    84    58.35000  112.70000
   43    53    54    37.50000  110.70000
   43    53    61    70.00000  112.02700
   50    43    44    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    63    70.00000  113.44400
   50    59    81    56.20000  109.47000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    67    55.00000  130.44200
   59    63    68    65.00000  122.56900
   59    81    76    51.80000  107.20000
   59    81    84    51.80000  107.20000
   63    59    60    45.00000  110.47400
   63    67    70    80.00000  105.82900
   63    67    71    55.00000  127.77900
   63    68    89    90.00000  107.14200
   63    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    89    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    89    87    85.00000  122.70000
   70    89    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    82    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    87    63.00000  120.00000
   82    79    80    35.00000  120.00000
   82    87    88    35.00000  120.00000
   82    87    89    85.00000  120.00000
   87    82    83    35.00000  120.00000
   87    89    68    70.00000  132.80000
   89    70    74    85.00000  116.20000
   89    87    88    35.00000  120.00000
   89    68    69    35.00000  123.10000
   68    63    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    56.20000  109.47000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    84    51.80000  107.20000
   78    76    77    33.00000  107.80000
   81    59    60    35.00000  109.50000
   81    59    63    75.00000  112.58000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    53    56.20000  109.47000
   84    53    54    37.50000  110.70000
   84    53    61    70.00000  112.02700
   86    84    85    33.00000  107.80000
   53    43    44    37.50000  110.70000
   53    43    50    58.35000  112.70000
   53    84    85    37.50000  110.70000
   53    84    86    37.50000  110.70000
   53    61    62    35.00000  117.00000
   53    61    64    70.00000  124.00000
   61    53    54    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   64    61    62    35.00000  120.00000
   66    64    65    35.00000  117.00000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    40    45   0.14700  1.0 1.0
   29    33    40    45  -1.16150 -1.0 2.0
   29    33    40    45   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    49   0.36750  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    38    43    53   0.56750  1.0 1.0
   33    38    43    53  -0.07550 -1.0 2.0
   33    38    43    53   0.20000  1.0 3.0
   33    40    45    46   0.37050  1.0 3.0
   33    40    45    47   0.37050  1.0 3.0
   33    40    45    48   0.37050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    40    45   0.37050  1.0 3.0
   38    33    40    45   0.06250  1.0 1.0
   38    33    40    45  -0.01100 -1.0 2.0
   38    33    40    45   0.28050  1.0 3.0
   38    41    49    55   1.63150  1.0 1.0
   38    41    49    55   2.92000 -1.0 2.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    59   0.56750  1.0 1.0
   38    43    50    59  -0.07550 -1.0 2.0
   38    43    50    59   0.20000  1.0 3.0
   38    43    53    84   0.56750  1.0 1.0
   38    43    53    84  -0.07550 -1.0 2.0
   38    43    53    84   0.20000  1.0 3.0
   38    43    53    54   0.15000  1.0 3.0
   38    43    53    61   0.34400  1.0 1.0
   38    43    53    61   0.09450 -1.0 2.0
   38    43    53    61   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    49   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   41    38    43    44  -0.11250  1.0 3.0
   41    38    43    50  -0.95700  1.0 1.0
   41    38    43    50  -0.18200 -1.0 2.0
   41    38    43    50   0.29450  1.0 3.0
   41    38    43    53  -0.95700  1.0 1.0
   41    38    43    53  -0.18200 -1.0 2.0
   41    38    43    53   0.29450  1.0 3.0
   41    49    55    56   0.08050  1.0 3.0
   41    49    55    57   0.08050  1.0 3.0
   41    49    55    58   0.08050  1.0 3.0
   42    41    49    55   3.00000 -1.0 2.0
   43    38    41    42   0.30150 -1.0 2.0
   43    38    41    49   0.36750  1.0 3.0
   43    50    59    60   0.15000  1.0 3.0
   43    50    59    63  -0.03700  1.0 1.0
   43    50    59    63   0.37200 -1.0 2.0
   43    50    59    63  -0.47300  1.0 3.0
   43    50    59    81   1.53400  1.0 1.0
   43    50    59    81  -0.09950 -1.0 2.0
   43    50    59    81   0.05700  1.0 3.0
   43    53    61    62   0.00000  1.0 1.0
   43    53    61    64   0.09850  1.0 1.0
   43    53    61    64   0.15250 -1.0 2.0
   43    53    61    64  -0.50650  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    59   0.15000  1.0 3.0
   44    43    53    84   0.15000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   44    43    53    61   0.15000  1.0 3.0
   50    43    53    84   0.56750  1.0 1.0
   50    43    53    84  -0.07550 -1.0 2.0
   50    43    53    84   0.20000  1.0 3.0
   50    43    53    54   0.15000  1.0 3.0
   50    43    53    61   0.34400  1.0 1.0
   50    43    53    61   0.09450 -1.0 2.0
   50    43    53    61   0.11100  1.0 3.0
   50    59    63    67   0.04150 -1.0 2.0
   50    59    63    68   0.39850  1.0 1.0
   50    59    63    68   0.06450 -1.0 2.0
   50    59    63    68   0.32400  1.0 3.0
   50    59    81    76   0.23450  1.0 1.0
   50    59    81    76   0.02050 -1.0 2.0
   50    59    81    76   0.25250  1.0 3.0
   50    59   -81    84   0.23450  1.0 1.0
   50    59   -81    84   0.02050 -1.0 2.0
   50    59   -81    84   0.25250  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.43200  1.0 3.0
   51    50    59    81   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.43200  1.0 3.0
   52    50    59    81   0.15000  1.0 3.0
   59    63    67    70   3.62500 -1.0 2.0
   59    63    67    71   3.62500 -1.0 2.0
   59    63    68    89   3.62500 -1.0 2.0
   59    63    68    69   2.00000 -1.0 2.0
   59    81    84    85   0.28000  1.0 3.0
   59    81    84    86   0.28000  1.0 3.0
   59    81    84    53   0.23450  1.0 1.0
   59    81    84    53   0.02050 -1.0 2.0
   59    81    84    53   0.25250  1.0 3.0
   60    59    63    67   0.00000  1.0 1.0
   60    59    63    68   0.00000  1.0 1.0
   60    59    81    76   0.28000  1.0 3.0
   60    59    81    84   0.28000  1.0 3.0
   63    59    81    76   0.82600  1.0 1.0
   63    59    81    76  -0.32100 -1.0 2.0
   63    59    81    76   1.02000  1.0 3.0
   63    59    81    84   0.82600  1.0 1.0
   63    59    81    84  -0.32100 -1.0 2.0
   63    59    81    84   1.02000  1.0 3.0
   63    67    70    74   3.62500 -1.0 2.0
   63    67   -70    89   3.50000 -1.0 2.0
   63    67    71    72   0.00000  1.0 1.0
   63    67    71    73   0.00000  1.0 1.0
   63    67   -71    76   0.04150 -1.0 2.0
   67    63   -68    89   3.62500 -1.0 2.0
   67    63    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    89    87   3.00000 -1.0 2.0
   67    70   -89    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   0.83750  1.0 1.0
   67    71    76    81   0.32200 -1.0 2.0
   67    71    76    81   0.70600  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    82   3.62500 -1.0 2.0
   70    89   -68    63   3.62500 -1.0 2.0
   70    89    68    69   1.52500 -1.0 2.0
   74    70    89    87   3.00000 -1.0 2.0
   74    70    89    68   3.00000 -1.0 2.0
   74    79    82    83   3.62500 -1.0 2.0
   74    79   -82    87   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    82   3.62500 -1.0 2.0
   79    82    87    88   3.62500 -1.0 2.0
   79    82    87    89   3.62500 -1.0 2.0
   80    79    82    83   3.62500 -1.0 2.0
   80    79    82    87   3.62500 -1.0 2.0
   82    87   -89    70   3.62500 -1.0 2.0
   82    87    89    68   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   83    82    87    89   3.62500 -1.0 2.0
   87    89    68    63   3.62500 -1.0 2.0
   87    89    68    69   1.52500 -1.0 2.0
   88    87    89    70   3.62500 -1.0 2.0
   88    87    89    68   3.62500 -1.0 2.0
   89    70    74    75   3.50000 -1.0 2.0
   89    70   -74    79   3.50000 -1.0 2.0
   68    63   -67    70   3.62500 -1.0 2.0
   68    63    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    89   3.62500 -1.0 2.0
   71    76   -81    59   0.23450  1.0 1.0
   71    76   -81    59   0.02050 -1.0 2.0
   71    76   -81    59   0.25250  1.0 3.0
   71    76    81    84   0.23450  1.0 1.0
   71    76    81    84   0.02050 -1.0 2.0
   71    76    81    84   0.25250  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.15000  1.0 3.0
   76    81    84    85   0.28000  1.0 3.0
   76    81    84    86   0.28000  1.0 3.0
   76    81    84    53   0.23450  1.0 1.0
   76    81    84    53   0.02050 -1.0 2.0
   76    81    84    53   0.25250  1.0 3.0
   77    76    81    59   0.28000  1.0 3.0
   77    76    81    84   0.28000  1.0 3.0
   78    76    81    59   0.28000  1.0 3.0
   78    76    81    84   0.28000  1.0 3.0
   81    59   -63    67   0.18550 -1.0 2.0
   81    59   -63    67   0.14000  1.0 3.0
   81    59    63    68   0.04300 -1.0 2.0
   81    84   -53    43   1.53400  1.0 1.0
   81    84   -53    43  -0.09950 -1.0 2.0
   81    84   -53    43   0.05700  1.0 3.0
   81    84    53    54   0.15000  1.0 3.0
   81    84    53    61   0.59950  1.0 1.0
   81    84    53    61  -0.21400 -1.0 2.0
   81    84    53    61   0.56200  1.0 3.0
   84    53    61    62   0.00000  1.0 1.0
   84    53    61    64   0.09850  1.0 1.0
   84    53    61    64   0.15250 -1.0 2.0
   84    53    61    64  -0.50650  1.0 3.0
   85    84    53    43   0.15000  1.0 3.0
   85    84    53    54   0.15000  1.0 3.0
   85    84    53    61   0.15000  1.0 3.0
   86    84    53    43   0.15000  1.0 3.0
   86    84    53    54   0.15000  1.0 3.0
   86    84    53    61   0.15000  1.0 3.0
   53    43    50    51   0.15000  1.0 3.0
   53    43    50    52   0.15000  1.0 3.0
   53    43   -50    59   0.56750  1.0 1.0
   53    43   -50    59  -0.07550 -1.0 2.0
   53    43   -50    59   0.20000  1.0 3.0
   53    61    64    65   7.00000 -1.0 2.0
   53    61    64    66   7.00000 -1.0 2.0
   54    53    61    62   0.33100  1.0 3.0
   54    53    61    64   0.00000  1.0 1.0
   62    61    64    65   7.00000 -1.0 2.0
   62    61    64    66   7.00000 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    43   0.62750  1.0 1.0
   40    33    38    43  -0.30950 -1.0 2.0
   40    33    38    43   0.27300  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    49    41    42  10.50000 -1.0 2.0
   67    68    63    59   4.00000 -1.0 2.0
   70    71    67    63   4.00000 -1.0 2.0
   74    89    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   82    80    79    74   1.10000 -1.0 2.0
   87    83    82    79   1.10000 -1.0 2.0
   89    88    87    82   1.10000 -1.0 2.0
   87    68    89    70   4.00000 -1.0 2.0
   69    63    68    89   1.00000 -1.0 2.0
   53    62    61    64  15.00000 -1.0 2.0
   65    66    64    61  15.00000 -1.0 2.0
END
