* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    155    252     463
    1     0 S   NP   _N1_     1    28.45004    98.69133   -22.18764
    2     1 S   H    _HN1     2     1.02835    46.66783   151.89635
    3     1 S   H    _H1_     3     1.02776   102.29843  -105.00087
    4     1 S   H    _H2_     4     1.02957    64.99846    -0.30390
    5     1 S   CT   _CA1     5     1.50124   144.19328    90.29794
    6     5 S   HC   _HA1     6     1.09574   105.22313   102.33801
    7     5 S   CO3  _C1_     7     1.53792   112.38594   -17.87013
    8     7 S   O2Z  _O11     8     1.26364   114.99843   -43.50178
    9     7 S   O2Z  _O12     9     1.26238   114.93541   135.64908
   10     5 S   CT   _CB1    10     1.53101   107.42722  -139.73374
   11    10 S   HC   HB11    11     1.09825   109.34979   -50.49131
   12    10 S   HC   HB12    12     1.09817   110.41553    66.07211
   13    10 S   CT   _CG1    13     1.53011   112.66147  -171.56776
   14    13 S   HC   HG11    14     1.09595   110.47754   -64.06989
   15    13 S   HC   HG12    15     1.09655   109.92908    55.12452
   16    13 S   C    _CD1    16     1.51838   112.34731   175.50760
   17    16 S   O    _OE1    17     1.22743   123.29361    -0.34492
   18    16 S   N    _N2_    18     1.38546   111.67122   179.60140
   19    18 S   H    _HN2    19     1.01567   118.97574     4.92720
   20    18 S   CT1  _CA2    20     1.45839   122.97165   177.94977
   21    20 S   HC   _HA2    21     1.09725   108.96642    21.86365
   22    20 S   C    _C2_    22     1.52837   106.95340   -95.23427
   23    22 S   O    _O2_    23     1.22976   122.94948   -30.98180
   24    20 S   CT   _CB2    32     1.53130   111.98008   145.01222
   25    24 S   HC   HB21    33     1.09597   110.27795    50.84967
   26    24 S   HC   HB22    34     1.09485   110.11108   170.04278
   27    22 S   N    _N3_    24     1.38516   112.56284   151.60931
   28    27 S   H    _HN3    25     1.01636   120.27768    -1.76669
   29    24 S   S    _SG2    35     1.82806   110.65233   -70.03818
   30    27 S   CT   _CA3    26     1.45367   122.48974   178.75353
   31    30 S   HC   HA31    27     1.09568   107.44618   -62.42634
   32    30 S   HC   HA32    28     1.09560   107.95796    53.88435
   33    29 S   CT   _C24    36     1.84134    99.94106   167.22485
   34    33 S   HC   _H3_    37     1.09730   104.18587   -59.94578
   35    30 S   CO3  _C3_    29     1.52880   114.34515   175.69948
   36    35 S   O2Z  _O31    30     1.26414   114.50549   172.10571
   37    35 S   O2Z  _O32    31     1.26378   116.07143    -7.92187
   38    33 S   CA   _C10    38     1.52158   110.72733  -175.61841
   39    33 S   C5A  _C17    51     1.49674   113.53890    57.05786
   40    38 S   CA   _C4_    39     1.40551   119.65219   114.81845
   41    40 S   HA   _H34    40     1.08777   120.32504    -0.09279
   42    39 S   C5B  _C11    52     1.37805   133.77486  -138.80532
   43    42 S   OM   _O22    53     1.33229   125.85422    -0.01978
   44    40 S   CA   _C5_    41     1.39697   120.90876   179.73756
   45    44 S   HA   _H35    42     1.08616   119.31479  -179.98022
   46    42 S   C56B _C9_    54     1.41542   108.30441   179.81548
   47    44 S   CA   _C13    43     1.39263   119.72210    -0.07662
   48    46 S   C56A _C12    55     1.39083   104.88150    -0.08393
   49    47 S   CA   _C14    44     1.39168   120.13271    -0.03956
   50    47 S   OH   _O25    49     1.36716   120.47451  -180.00000
   51    50 S   HO   _H47    50     0.97199   108.66875     0.24945
   52    48 S   CA   _C7_    56     1.39741   124.35089  -179.16397
   53    52 S   HA   _H37    57     1.08220   119.66573   179.63792
   54    39 S   OA   _O23    87     1.37136   117.47550    41.57191
   55    38 S   CA   _C6_    45     1.40622   121.78955   -65.64616
   56    55 S   HA   _H36    46     1.08720   119.91540     0.31153
   57    49 S   OH   _O26    47     1.36768   119.30232  -179.92338
   58    57 S   HO   _H48    48     0.97206   108.65019   179.54072
   59    52 S   CA   _C15    58     1.40214   116.81279     0.12195
   60    59 S   CA   _C8_    59     1.40123   120.55736    -1.07738
   61    60 S   HA   _H38    60     1.08798   119.78111  -179.51624
   62    59 S   OS   _O34    64     1.37318   125.15210   179.19521
   63    46 S   CA   _C16    61     1.40644   137.50582  -179.91153
   64    62 S   CO   _C22    65     1.43692   117.71974   -11.05594
   65    64 S   HC   _H43    66     1.09864   108.91260    59.90993
   66    63 S   OH   _O27    62     1.37545   122.04425    -0.46394
   67    66 S   HO   _H49    63     0.97569   106.67603    -0.00000
   68    64 S   CT   _C20    67     1.53602   107.03316   177.98297
   69    68 S   HC   _H41    68     1.09688   109.91500    52.73563
   70    68 S   CT   _C18    69     1.53201   111.32422   174.64222
   71    70 S   HC   _H39    70     1.09670   110.19658    73.86933
   72    68 S   OH   _O30    85     1.42947   109.98835   -63.92115
   73    72 S   HO   _H52    86     0.97230   108.24977   -62.08713
   74    70 S   CT   _C19    71     1.53248   111.50973   -48.81250
   75    74 S   HC   _H40    72     1.09700   109.08906   -71.60841
   76    70 S   OH   _O28    83     1.42952   109.57976  -170.34172
   77    76 S   HO   _H50    84     0.97245   108.12093    61.46804
   78    74 S   CT   _C21    73     1.53130   110.50878    49.61404
   79    78 S   HC   _H42    74     1.09837   110.97498    63.94560
   80    74 S   OH   _O29    81     1.42578   109.66048   171.50470
   81    80 S   HO   _H51    82     0.97247   108.21965   -59.27896
   82    64 S   OS   _O24    75     1.42907   111.25707   -62.75103
   83    78 S   CT   _C23    76     1.52892   111.88482  -174.93515
   84    83 S   HC   _H44    77     1.09520   110.94128    69.90502
   85    83 S   HC   _H45    78     1.09374   111.77923   -52.66308
   86    83 S   OH   _O33    79     1.42537   108.74273  -171.54653
   87    86 S   HO   _H53    80     0.97686   106.69228  -170.61079
  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
  14   6   2   1   1  12   9   8   4   8   4   7   3  10   7   8
   6   3   1   8   4   2   3   1   1   1   9   6   3   9   2  13
   6   1   1  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    39    42    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    49    55    56    39    42    43    46    48    54  
   38    40    55    39    42    54  
   36    37  
   37  
    0  
   40    41    44    45    47    49    55    56    57    39    42    54  
   42    43    46    48    52    63    54    40    55  
   41    44    45    47    49    55    56    50  
   44    45    47    55  
   43    46    48    52    60    63    66    54  
   46    48    63    54  
   45    47    49    55    57    50    51  
   47    49    50  
   48    52    53    59    60    61    63    66    67    54  
   49    55    56    57    58    50    51  
   52    53    59    60    63    66    62    54  
   55    56    57    58    50    51  
   51    55    57  
    0  
   53    59    60    61    63    62    64    54  
   59    60    62    54  
   59    63  
   56    57    58  
   57  
   58  
    0  
   60    61    63    66    62    64    65    68    82  
   61    63    66    67    62    64  
   63    66    62  
   64    65    68    69    70    78    82    72    63  
   66    67  
   65    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   67  
    0  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.337500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.442700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   54   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700   0.039200   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   295.000  1.489
   38    40   469.000  1.400
   38    55   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    50   450.000  1.364
   49    55   469.000  1.400
   49    57   450.000  1.364
   55    56   367.000  1.080
   57    58   553.000  0.945
   50    51   553.000  0.945
   39    42   520.000  1.370
   39    54   340.000  1.360
   42    43   480.000  1.345
   42    46   380.000  1.440
   46    48   447.000  1.419
   46    63   469.000  1.404
   48    52   469.000  1.400
   48    54   425.000  1.380
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    66   450.000  1.364
   66    67   553.000  0.945
   62    64   320.000  1.380
   64    65   340.000  1.090
   64    68   250.000  1.527
   64    82   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   320.000  1.410
   78    79   340.000  1.090
   78    82   320.000  1.410
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   320.000  1.410
   86    87   553.000  0.945
   80    81   553.000  0.945
   76    77   553.000  0.945
   72    73   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    80.00000  109.48900
   33    38    40    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    42    55.00000  130.44200
   33    39    54    80.00000  116.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    55    49    63.00000  120.00000
   38    55    56    35.00000  120.00000
   40    44    45    35.00000  120.00000
   40    44    47    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    47    49    63.00000  120.00000
   44    47    50    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    55    63.00000  120.00000
   47    49    57    70.00000  120.00000
   47    50    51    35.00000  113.00000
   49    55    56    35.00000  120.00000
   49    57    58    35.00000  113.00000
   55    38    40    63.00000  120.00000
   57    49    55    70.00000  120.00000
   50    47    49    70.00000  120.00000
   39    33    34    45.00000  110.47400
   39    33    38    70.00000  112.04700
   39    42    43    75.00000  125.18600
   39    42    46    80.00000  105.82900
   39    54    48   110.00000  105.28000
   42    46    48    80.00000  107.43600
   42    46    63    50.00000  134.85500
   46    42    43    70.00000  112.00000
   46    48    52    85.00000  122.70000
   46    48    54   100.00000  108.43400
   46    63    60    63.00000  120.00000
   46    63    66    70.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    59    85.00000  120.00000
   52    59    60    63.00000  120.00000
   52    59    62    70.00000  120.00000
   59    52    53    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    63    63.00000  120.00000
   59    62    64   100.00000  112.36700
   60    63    66    70.00000  120.00000
   63    46    48    85.00000  116.20000
   63    60    61    35.00000  120.00000
   63    66    67    35.00000  113.00000
   62    59    60    70.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    68    90.00000  108.56700
   62    64    82    92.60000  111.55000
   64    68    69    45.00000  108.72000
   64    68    70    75.00000  109.43000
   64    68    72    90.00000  111.58700
   64    82    78    60.00000  109.50000
   68    64    65    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    50.00000  109.50000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    50.00000  109.50000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    50.00000  109.50000
   74    78    83    58.35000  112.70000
   74    80    81    55.00000  108.50000
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    50.00000  109.50000
   82    64    65    35.00000  109.50000
   82    64    68    90.00000  108.56700
   82    78    79    35.00000  109.50000
   83    78    79    37.50000  110.70000
   83    78    82    50.00000  109.50000
   83    86    87    55.00000  108.50000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   80    74    75    35.00000  109.50000
   80    74    78    50.00000  109.50000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   54    39    42    70.00000  108.00000
   54    48    52    70.00000  124.10000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    42  -0.16000  1.0 1.0
   29    33    39    42  -0.03200 -1.0 2.0
   29    33    39    42   0.04500  1.0 3.0
   29    33    39    54   0.04300 -1.0 2.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    55    49   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    42    43   3.62500 -1.0 2.0
   33    39    42    46   3.62500 -1.0 2.0
   33    39    54    48   3.62500 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    54   0.00000  1.0 1.0
   38    33    39    42   0.04300 -1.0 2.0
   38    33    39    54   0.04300 -1.0 2.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    47   3.62500 -1.0 2.0
   40    38    55    49   3.62500 -1.0 2.0
   40    38    55    56   3.62500 -1.0 2.0
   40    44   -47    49   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    47   3.62500 -1.0 2.0
   44    47    49    55   3.62500 -1.0 2.0
   44    47    49    57   3.62500 -1.0 2.0
   44    47    50    51   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    50   3.62500 -1.0 2.0
   47    49   -55    38   3.62500 -1.0 2.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    57    58   0.84100 -1.0 2.0
   49    47    50    51   0.84100 -1.0 2.0
   55    38    40    41   3.62500 -1.0 2.0
   55    38   -40    44   3.62500 -1.0 2.0
   55    49    57    58   0.84100 -1.0 2.0
   57    49    55    38   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   50    47    49    55   3.62500 -1.0 2.0
   50    47    49    57   3.62500 -1.0 2.0
   39    33    38    40   0.04300 -1.0 2.0
   39    33    38    55   0.04300 -1.0 2.0
   39    42   -46    48   3.50000 -1.0 2.0
   39    42    46    63   3.62500 -1.0 2.0
   42    39   -54    48   3.62500 -1.0 2.0
   42    46    48    52   3.00000 -1.0 2.0
   42    46   -48    54   3.62500 -1.0 2.0
   42    46    63    60   3.62500 -1.0 2.0
   42    46    63    66   3.62500 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    63   3.62500 -1.0 2.0
   46    48    52    53   3.62500 -1.0 2.0
   46    48    52    59   3.62500 -1.0 2.0
   46    48   -54    39   3.62500 -1.0 2.0
   46    63    66    67   0.84100 -1.0 2.0
   48    46    63    60   3.50000 -1.0 2.0
   48    46    63    66   3.62500 -1.0 2.0
   48    52   -59    60   3.62500 -1.0 2.0
   48    52    59    62   3.62500 -1.0 2.0
   52    48    54    39   3.62500 -1.0 2.0
   52    59    60    61   3.62500 -1.0 2.0
   52    59    60    63   3.62500 -1.0 2.0
   52    59    62    64   1.63200 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   53    52    59    62   3.62500 -1.0 2.0
   59    60   -63    46   3.62500 -1.0 2.0
   59    60    63    66   3.62500 -1.0 2.0
   59    62    64    65   0.08050  1.0 3.0
   59    62    64    68  -0.32850  1.0 1.0
   59    62    64    68  -0.35800 -1.0 2.0
   59    62    64    68   0.33950  1.0 3.0
   59    62    64    82  -0.25600  1.0 1.0
   59    62    64    82  -0.40050 -1.0 2.0
   59    62    64    82   0.34700  1.0 3.0
   60    59    62    64   1.63200 -1.0 2.0
   60    63    66    67   0.84100 -1.0 2.0
   61    60    63    46   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    46   -48    52   3.00000 -1.0 2.0
   63    46    48    54   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    63   3.62500 -1.0 2.0
   62    64    68    69   0.23400  1.0 3.0
   62    64    68    70   0.62750  1.0 1.0
   62    64    68    70  -0.30950 -1.0 2.0
   62    64    68    70   0.27300  1.0 3.0
   62    64    68    72   3.69350  1.0 1.0
   62    64    68    72  -1.82950 -1.0 2.0
   62    64    82    78  -0.81800  1.0 1.0
   64    68    70    71   0.15000  1.0 3.0
   64    68    70    74   3.97050  1.0 1.0
   64    68    70    76   0.86500  1.0 1.0
   64    68    70    76  -0.17500 -1.0 2.0
   64    68    70    76   0.20800  1.0 3.0
   64    68    72    73  -0.11600  1.0 1.0
   64    68    72    73  -0.09450 -1.0 2.0
   64    68    72    73   0.21250  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    82    78   0.37050  1.0 3.0
   68    64    82    78   0.06250  1.0 1.0
   68    64    82    78  -0.01100 -1.0 2.0
   68    64    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80   0.86500  1.0 1.0
   68    70    74    80  -0.17500 -1.0 2.0
   68    70    74    80   0.20800  1.0 3.0
   68    70    76    77  -0.11600  1.0 1.0
   68    70    76    77  -0.09450 -1.0 2.0
   68    70    76    77   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81  -0.11600  1.0 1.0
   70    74    80    81  -0.09450 -1.0 2.0
   70    74    80    81   0.21250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    78   -82    64   0.06250  1.0 1.0
   74    78   -82    64  -0.01100 -1.0 2.0
   74    78   -82    64   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86   0.86500  1.0 1.0
   74    78    83    86  -0.17500 -1.0 2.0
   74    78    83    86   0.20800  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81  -0.11600  1.0 1.0
   78    74    80    81  -0.09450 -1.0 2.0
   78    74    80    81   0.21250  1.0 3.0
   78    83    86    87  -0.11600  1.0 1.0
   78    83    86    87  -0.09450 -1.0 2.0
   78    83    86    87   0.21250  1.0 3.0
   79    78    82    64   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    64    68    69   0.23400  1.0 3.0
   82    64   -68    70   0.62750  1.0 1.0
   82    64   -68    70  -0.30950 -1.0 2.0
   82    64   -68    70   0.27300  1.0 3.0
   82    64    68    72   3.69350  1.0 1.0
   82    64    68    72  -1.82950 -1.0 2.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   3.69350  1.0 1.0
   82    78    83    86  -1.82950 -1.0 2.0
   83    78    82    64   0.06250  1.0 1.0
   83    78    82    64  -0.01100 -1.0 2.0
   83    78    82    64   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   3.69350  1.0 1.0
   80    74    78    82  -1.82950 -1.0 2.0
   80    74    78    83   0.86500  1.0 1.0
   80    74    78    83  -0.17500 -1.0 2.0
   80    74    78    83   0.20800  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   0.86500  1.0 1.0
   76    70    74    78  -0.17500 -1.0 2.0
   76    70    74    78   0.20800  1.0 3.0
   76    70    74    80   3.75450  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   3.75450  1.0 1.0
   54    39    42    43   3.62500 -1.0 2.0
   54    39   -42    46   3.62500 -1.0 2.0
   54    48    52    53   3.62500 -1.0 2.0
   54    48    52    59   3.62500 -1.0 2.0
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
   40    55    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   49    50    47    44   4.00000 -1.0 2.0
   55    57    49    47   4.00000 -1.0 2.0
   49    56    55    38   1.10000 -1.0 2.0
   42    54    39    33   4.00000 -1.0 2.0
   46    43    42    39   4.00000 -1.0 2.0
   48    63    46    42   4.00000 -1.0 2.0
   52    54    48    46   4.00000 -1.0 2.0
   59    53    52    48   1.10000 -1.0 2.0
   60    62    59    52   4.00000 -1.0 2.0
   63    61    60    59   1.10000 -1.0 2.0
   60    66    63    46   4.00000 -1.0 2.0
END
