* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    28.28199    96.82563   -19.88271
    2     1 S   H    _HN1     2     1.02974    43.49934   119.04742
    3     1 S   H    _H1_     3     1.02785    91.72365  -126.54049
    4     1 S   H    _H2_     4     1.02852    74.80858   -18.06794
    5     1 S   CT   _CA1     5     1.50589   150.54182    88.43942
    6     5 S   HC   _HA1     6     1.09679   104.58094    85.87547
    7     5 S   CO3  _C1_     7     1.54398   110.85852   -29.79437
    8     7 S   O2Z  _O11     8     1.25991   116.83098  -124.52771
    9     7 S   O2Z  _O12     9     1.26587   113.71302    54.94170
   10     5 S   CT   _CB1    10     1.53048   106.94252  -157.98972
   11    10 S   HC   HB11    11     1.09848   109.91083   -40.92581
   12    10 S   HC   HB12    12     1.09788   110.03831    75.58604
   13    10 S   CT   _CG1    13     1.53131   112.74418  -161.57074
   14    13 S   HC   HG11    14     1.09507   111.10788   -58.15369
   15    13 S   HC   HG12    15     1.09656   109.88199    61.00671
   16    13 S   C    _CD1    16     1.51841   111.81255  -178.83870
   17    16 S   O    _OE1    17     1.22789   123.23233    -1.12831
   18    16 S   N    _N2_    18     1.38430   111.93403   178.73251
   19    18 S   H    _HN2    19     1.01767   119.26934     4.81906
   20    18 S   CT1  _CA2    20     1.45874   122.76497  -179.75134
   21    20 S   HC   _HA2    21     1.09735   108.81885    25.00235
   22    20 S   C    _C2_    22     1.52900   107.23898   -92.18499
   23    22 S   O    _O2_    23     1.22975   123.09678   -26.06825
   24    20 S   CT   _CB2    32     1.53249   112.03573   147.78915
   25    24 S   HC   HB21    33     1.09318   109.29924    58.55794
   26    24 S   HC   HB22    34     1.09460   110.08024   176.94976
   27    22 S   N    _N3_    24     1.38510   112.53725   156.50999
   28    27 S   H    _HN3    25     1.01650   120.35813    -2.05919
   29    24 S   S    _SG2    35     1.82923   110.64342   -63.19482
   30    27 S   CT   _CA3    26     1.45341   122.44650   178.57097
   31    30 S   HC   HA31    27     1.09569   107.71714   -57.25994
   32    30 S   HC   HA32    28     1.09563   107.69211    59.05561
   33    29 S   CT   _C24    36     1.87809   101.82203   163.02452
   34    30 S   CO3  _C3_    29     1.52881   114.35765  -179.17932
   35    34 S   O2Z  _O31    30     1.26333   116.08901    -2.40631
   36    34 S   O2Z  _O32    31     1.26444   114.40497   177.62496
   37    33 S   CO4  _C12    37     1.54847   105.40108   -63.08460
   38    37 S   O    _O25    38     1.22628   124.45495   103.75771
   39    33 S   CT   _C21    79     1.54984   104.61353  -179.24931
   40    39 S   HC   _H48    80     1.09498   112.21029   -68.32769
   41    39 S   HC   _H49    81     1.09635   111.28323   170.68837
   42    39 S   HC   _H50    82     1.09724   112.44270    52.19315
   43    33 S   CT   _C23    83     1.58553   112.28369    57.84920
   44    43 S   OM   _O22    84     1.32776   109.34946   173.21476
   45    43 S   HC   _H54    85     1.09982   106.06113   -59.39091
   46    37 S   OS   _O30    39     1.36719   111.11711   -73.50055
   47    43 S   CT   _C20    86     1.54675   113.83221    55.00492
   48    47 S   HC   _H45    87     1.09665   113.02714    60.51560
   49    47 S   HC   _H46    88     1.09869   110.97357  -179.15628
   50    47 S   HC   _H47    89     1.09456   111.59324   -60.91097
   51    46 S   CT   _C18    40     1.45031   118.17437   178.52369
   52    51 S   HC   _H41    41     1.09662   109.39164    17.33674
   53    51 S   CT   _C15    42     1.56381   107.87703  -100.40016
   54    53 S   HC   _H38    43     1.09180   109.81213   -51.81493
   55    51 S   CT   _C17    56     1.54781   107.85378   134.63879
   56    55 S   HC   _H40    57     1.09800   108.45193   173.68726
   57    53 S   CM   _C6_    44     1.51306   114.78257  -177.51147
   58    55 S   CM   _C8_    58     1.49679   118.45131   -66.87078
   59    53 S   OH   _O28    77     1.43702   109.11885    61.22922
   60    59 S   HO   _H55    78     0.97447   107.90222    54.47935
   61    57 S   CM   _C4_    45     1.34927   127.58405   125.97631
   62    61 S   HC   _H32    46     1.09044   117.32475   177.75912
   63    58 S   CO4  _C9_    59     1.48584   107.54573   154.88721
   64    63 S   O    _O23    60     1.21734   127.06724   165.54182
   65    58 S   CM   _C10    62     1.33527   130.79369   -23.30873
   66    65 S   HC   _H34    63     1.08443   121.49322    -1.04099
   67    65 S   HC   _H35    64     1.08541   121.52462   178.81932
   68    57 S   CO4  _C11    70     1.49389   115.65966   -55.35235
   69    68 S   O    _O24    71     1.22286   123.16480   -39.23690
   70    61 S   C3T  _C13    47     1.47839   131.22208    -1.46246
   71    70 S   HC   _H36    48     1.08448   113.14378    76.90389
   72    88 S   OS   _O26    61     1.42968   113.72341   -58.90851
   73    68 S   OS   _O29    72     1.36014   110.40396   136.91444
   74    70 S   C3T  _C16    49     1.53164   124.38545   -75.10270
   75    74 S   HC   _H39    50     1.08608   117.35044   152.99237
   76    73 S   CT   _C22    73     1.43054   115.23510  -177.20614
   77    76 S   HC   _H51    74     1.09325   108.09885  -179.12665
   78    76 S   HC   _H52    75     1.09424   110.22272    62.21106
   79    76 S   HC   _H53    76     1.09424   110.33792   -60.40178
   80    74 S   CM   _C7_    51     1.47883   116.26537    14.52730
   81    70 S   O3T  _O27    69     1.44337   117.82318  -142.72420
   82    80 S   CM   _C5_    52     1.34859   118.39099    86.03003
   83    82 S   HC   _H33    53     1.09189   116.58501     8.72263
   84    80 S   CT   _C19    65     1.50416   116.10143   -87.05953
   85    84 S   HC   _H42    66     1.09549   109.68620   -57.70406
   86    84 S   HC   _H43    67     1.09139   113.28955  -177.00023
   87    84 S   HC   _H44    68     1.09421   111.04031    61.72850
   88    82 S   CT   _C14    54     1.49452   129.04017  -154.90836
   89    88 S   HC   _H37    55     1.09913   107.30563  -176.05107
  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  12   5   4   3
  15   2   1   1  14   4   8   3   2   1   7   5   4  10   3   2
   1   1  17   8  14   6  15   7  12   9   3   1  10   5   8   3
   4   1   1   7   2   7   4   5   4  10   4   3   2   1   1   9
   2   7   3   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    51    39    40    41    42    43    44    45    47    48    49    50  
   35    36  
   36  
    0  
   38    46    51    52    53    55    39    40    41    42    43    44    45    47  
   46    51    39    43  
   40    41    42    43    44    45    47    46  
   41    42    43  
   42    43  
   43  
   44    45    47    48    49    50    46  
   45    47    48    49    50  
   47    48    49    50  
   51    52    53    54    57    88    55    56    58    59  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    57    61    82    88    89    55    56    58    63    72    65    68    59    60  
   53    54    57    88    55    56    58    59  
   54    57    61    62    70    88    55    56    58    68    69    73    59    60  
   57    61    55    68    59    60  
   56    58    63    64    72    65    66    67    59    57    80    82    83    88    89  
   58    63    72    65    82    88    89  
   61    62    70    71    74    81    68    69    73    76    59    60  
   63    64    72    65    66    67    82    88    89  
   60    61    68  
    0  
   62    70    71    74    75    80    81    68    69    73  
   70    71    74    81    68  
   64    72    65    66    67    82    88    89  
   72    65    88  
   66    67    72    88  
   67  
    0  
   69    73    76    77    78    79    70  
   73    76  
   71    74    75    80    82    84    81  
   74    75    80    81  
   80    82    83    88    89  
   76    77    78    79  
   75    80    82    83    88    84    85    86    87    81  
   80    82    84    81  
   77    78    79  
   78    79  
   79  
    0  
   82    83    88    89    84    85    86    87    81  
   82    84  
   83    88    89    84    85    86    87  
   88    89    84  
   85    86    87    88  
   86    87  
   87  
    0  
   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  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   570.000  1.229
   37    46   214.000  1.327
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    59   320.000  1.410
   57    61   549.000  1.340
   57    68   320.000  1.462
   61    62   340.000  1.080
   61    70   305.000  1.480
   70    71   340.000  1.088
   70    74   260.000  1.509
   70    81   335.000  1.432
   74    75   340.000  1.088
   74    80   305.000  1.480
   74    81   335.000  1.432
   80    82   549.000  1.340
   80    84   317.000  1.510
   82    83   340.000  1.080
   82    88   317.000  1.510
   88    89   340.000  1.090
   88    55   268.000  1.529
   88    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    63   320.000  1.462
   58    65   549.000  1.340
   63    64   570.000  1.229
   63    72   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   59    60   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    46    81.00000  111.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    50.00000  109.50000
   33    43    45    37.50000  110.70000
   33    43    47    58.35000  112.70000
   37    46    51    83.00000  116.90000
   46    37    38    83.00000  123.40000
   46    51    52    35.00000  109.50000
   46    51    53    50.00000  109.50000
   46    51    55    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    57    70.00000  112.02700
   51    53    59    50.00000  109.50000
   51    55    88    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    58    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    57    61    70.00000  124.00000
   53    57    68    65.00000  116.34900
   53    59    60    55.00000  108.50000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    70    55.00000  125.06700
   57    68    69    80.00000  123.72100
   57    68    73    90.00000  111.29400
   61    70    71    40.00000  112.45000
   61    70    74    60.00000  120.58800
   61    70    81    85.00000  114.23300
   70    61    62    40.00000  117.24000
   70    74    75    37.50000  117.20000
   70    74    80    60.00000  120.58800
   70    74    81    15.00000   60.43100
   70    81    74    15.00000   59.14900
   74    70    71    37.50000  117.20000
   74    80    82    55.00000  125.06700
   74    80    84    65.00000  117.92700
   80    74    75    40.00000  112.45000
   80    82    83    35.00000  120.00000
   80    82    88    70.00000  124.00000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    88    89    35.00000  109.50000
   82    88    55    70.00000  112.02700
   82    88    72    85.00000  110.90400
   88    82    83    35.00000  117.00000
   88    55    56    37.50000  110.70000
   88    55    58    70.00000  112.02700
   88    72    63    83.00000  116.90000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    88    89    37.50000  110.70000
   55    58    63    65.00000  116.34900
   55    58    65    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    63    64    80.00000  123.72100
   58    63    72    90.00000  111.29400
   58    65    66    35.00000  120.00000
   58    65    67    35.00000  120.00000
   72    88    89    35.00000  109.50000
   72    88    55    50.00000  109.50000
   72    63    64    83.00000  123.40000
   65    58    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   84    80    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   81    70    71    50.00000  114.27700
   81    70    74    15.00000   60.43100
   81    74    75    50.00000  114.27700
   81    74    80    85.00000  114.23300
   68    57    61    65.00000  118.96000
   68    73    76    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    57    90.00000  110.39200
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    63.00000  111.10000
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   45    43    44    45.00000  125.66300
   47    43    44    50.00000  109.50000
   47    43    45    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.30150 -1.0 2.0
   29    33    37    46   0.40000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.56750  1.0 1.0
   29    33    43    44  -0.07550 -1.0 2.0
   29    33    43    44   0.20000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    37    46    51   1.63150  1.0 1.0
   33    37    46    51   2.92000 -1.0 2.0
   33    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    50   0.15000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    33    43    44  -0.09450  1.0 1.0
   37    33    43    44  -1.12950 -1.0 2.0
   37    33    43    44   0.54000  1.0 3.0
   37    33    43    45  -0.11250  1.0 3.0
   37    33    43    47  -0.95700  1.0 1.0
   37    33    43    47  -0.18200 -1.0 2.0
   37    33    43    47   0.29450  1.0 3.0
   37    46    51    52   0.08050  1.0 3.0
   37    46    51    53  -0.25900  1.0 1.0
   37    46    51    53  -0.47000 -1.0 2.0
   37    46    51    53   0.11750  1.0 3.0
   37    46    51    55  -0.25900  1.0 1.0
   37    46    51    55  -0.47000 -1.0 2.0
   37    46    51    55   0.11750  1.0 3.0
   38    37    46    51   3.00000 -1.0 2.0
   46    51    53    54   0.23400  1.0 3.0
   46    51    53    57   0.61850  1.0 1.0
   46    51    53    57  -0.22750 -1.0 2.0
   46    51    53    57   0.15300  1.0 3.0
   46    51    53    59   3.69350  1.0 1.0
   46    51    53    59  -1.82950 -1.0 2.0
   46    51    55    88   0.62750  1.0 1.0
   46    51    55    88  -0.30950 -1.0 2.0
   46    51    55    88   0.27300  1.0 3.0
   46    51    55    56   0.23400  1.0 3.0
   46    51    55    58   0.61850  1.0 1.0
   46    51    55    58  -0.22750 -1.0 2.0
   46    51    55    58   0.15300  1.0 3.0
   51    53    57    61   0.09850  1.0 1.0
   51    53    57    61   0.15250 -1.0 2.0
   51    53    57    61  -0.50650  1.0 3.0
   51    53    57    68   0.09700  1.0 1.0
   51    53    57    68   0.15600 -1.0 2.0
   51    53    57    68  -0.50800  1.0 3.0
   51    53    59    60  -0.11600  1.0 1.0
   51    53    59    60  -0.09450 -1.0 2.0
   51    53    59    60   0.21250  1.0 3.0
   51    55    58    63   0.09700  1.0 1.0
   51    55    58    63   0.15600 -1.0 2.0
   51    55    58    63  -0.50800  1.0 3.0
   51    55    58    65   0.09850  1.0 1.0
   51    55    58    65   0.15250 -1.0 2.0
   51    55    58    65  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59   0.23400  1.0 3.0
   52    51    55    88   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    88   0.56750  1.0 1.0
   53    51    55    88  -0.07550 -1.0 2.0
   53    51    55    88   0.20000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.34400  1.0 1.0
   53    51    55    58   0.09450 -1.0 2.0
   53    51    55    58   0.11100  1.0 3.0
   53    57    61    62   7.00000 -1.0 2.0
   53    57    61    70   7.00000 -1.0 2.0
   53    57    68    69  -0.64400  1.0 1.0
   53    57    68    69   0.26850 -1.0 2.0
   53    57    68    73  -0.15000  1.0 1.0
   53    57    68    73   0.89550 -1.0 2.0
   53    57    68    73  -0.06900  1.0 3.0
   54    53    57    61   0.00000  1.0 1.0
   54    53    57    68   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   57    53    59    60  -0.07800  1.0 1.0
   57    53    59    60  -0.21500 -1.0 2.0
   57    53    59    60  -0.03150  1.0 3.0
   57    61    70    71   0.00000  1.0 1.0
   57    61    70    74   0.09850  1.0 1.0
   57    61    70    74   0.15250 -1.0 2.0
   57    61    70    74  -0.50650  1.0 3.0
   57    61    70    81   0.39000  1.0 1.0
   57    61    70    81  -0.05800 -1.0 2.0
   57    61    70    81  -0.55150  1.0 3.0
   57    68    73    76   2.00000 -1.0 2.0
   61    57    68    69   1.00000 -1.0 2.0
   61    57    68    73  -0.56150  1.0 1.0
   61    57    68    73   2.19150 -1.0 2.0
   61    70    74    75   0.15000  1.0 3.0
   61    70    74    80   0.31000  1.0 1.0
   61    70    74    80   0.14700 -1.0 2.0
   61    70    74    80   0.07550  1.0 3.0
   61    70   -74    81   0.61850  1.0 1.0
   61    70   -74    81  -0.22750 -1.0 2.0
   61    70   -74    81   0.15300  1.0 3.0
   61    70   -81    74  -0.77900  1.0 1.0
   61    70   -81    74  -0.36900 -1.0 2.0
   61    70   -81    74   0.40400  1.0 3.0
   62    61    70    71   0.33100  1.0 3.0
   62    61    70    74   0.00000  1.0 1.0
   62    61    70    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    80    84   0.46850  1.0 1.0
   70    74    80    84   0.08550 -1.0 2.0
   70    74    80    84   0.09800  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70   -74    81   0.23400  1.0 3.0
   71    70   -81    74   0.36800  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80    82    88   7.00000 -1.0 2.0
   74    80    84    85   0.34800  1.0 3.0
   74    80    84    86   0.34800  1.0 3.0
   74    80    84    87   0.34800  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    80    84   0.34800  1.0 3.0
   75    74   -81    70   0.36800  1.0 3.0
   80    74   -81    70  -0.77900  1.0 1.0
   80    74   -81    70  -0.36900 -1.0 2.0
   80    74   -81    70   0.40400  1.0 3.0
   80    82    88    89   0.00000  1.0 1.0
   80    82    88    55   0.09850  1.0 1.0
   80    82    88    55   0.15250 -1.0 2.0
   80    82    88    55  -0.50650  1.0 3.0
   80    82    88    72   0.39000  1.0 1.0
   80    82    88    72  -0.05800 -1.0 2.0
   80    82    88    72  -0.55150  1.0 3.0
   82    80    84    85   0.00000  1.0 1.0
   82    80    84    86   0.00000  1.0 1.0
   82    80    84    87   0.00000  1.0 1.0
   82    88    55    51   0.34400  1.0 1.0
   82    88    55    51   0.09450 -1.0 2.0
   82    88    55    51   0.11100  1.0 3.0
   82    88    55    56   0.15000  1.0 3.0
   82    88    55    58   0.31000  1.0 1.0
   82    88    55    58   0.14700 -1.0 2.0
   82    88    55    58   0.07550  1.0 3.0
   82    88    72    63  -0.82050  1.0 1.0
   82    88    72    63   0.00600 -1.0 2.0
   82    88    72    63   0.04400  1.0 3.0
   83    82    88    89   0.33100  1.0 3.0
   83    82    88    55   0.00000  1.0 1.0
   83    82    88    72   0.00000  1.0 1.0
   88    55   -58    63   0.09700  1.0 1.0
   88    55   -58    63   0.15600 -1.0 2.0
   88    55   -58    63  -0.50800  1.0 3.0
   88    55    58    65   0.09850  1.0 1.0
   88    55    58    65   0.15250 -1.0 2.0
   88    55    58    65  -0.50650  1.0 3.0
   89    88    55    51   0.15000  1.0 3.0
   89    88    55    56   0.15000  1.0 3.0
   89    88    55    58   0.15000  1.0 3.0
   89    88    72    63   0.08050  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.34400  1.0 1.0
   55    51    53    57   0.09450 -1.0 2.0
   55    51    53    57   0.11100  1.0 3.0
   55    51    53    59   0.86500  1.0 1.0
   55    51    53    59  -0.17500 -1.0 2.0
   55    51    53    59   0.20800  1.0 3.0
   55    88   -72    63  -0.25900  1.0 1.0
   55    88   -72    63  -0.47000 -1.0 2.0
   55    88   -72    63   0.11750  1.0 3.0
   55    58    63    64  -0.64400  1.0 1.0
   55    58    63    64   0.26850 -1.0 2.0
   55    58   -63    72  -0.15000  1.0 1.0
   55    58   -63    72   0.89550 -1.0 2.0
   55    58   -63    72  -0.06900  1.0 3.0
   55    58    65    66   7.00000 -1.0 2.0
   55    58    65    67   7.00000 -1.0 2.0
   56    55    58    63   0.15000  1.0 3.0
   56    55    58    65   0.00000  1.0 1.0
   58    63   -72    88   2.00000 -1.0 2.0
   63    58    65    66   7.00000 -1.0 2.0
   63    58    65    67   7.00000 -1.0 2.0
   64    63    72    88   3.00000 -1.0 2.0
   72    88    55    51   0.62750  1.0 1.0
   72    88    55    51  -0.30950 -1.0 2.0
   72    88    55    51   0.27300  1.0 3.0
   72    88    55    56   0.23400  1.0 3.0
   72    88   -55    58   0.61850  1.0 1.0
   72    88   -55    58  -0.22750 -1.0 2.0
   72    88   -55    58   0.15300  1.0 3.0
   65    58    63    64   1.00000 -1.0 2.0
   65    58    63    72  -0.56150  1.0 1.0
   65    58    63    72   2.19150 -1.0 2.0
   84    80    82    83   7.00000 -1.0 2.0
   84    80    82    88   7.00000 -1.0 2.0
   81    70   -74    75   0.23400  1.0 3.0
   81    70   -74    80   0.61850  1.0 1.0
   81    70   -74    80  -0.22750 -1.0 2.0
   81    70   -74    80   0.15300  1.0 3.0
   81    74    80    82   0.39000  1.0 1.0
   81    74    80    82  -0.05800 -1.0 2.0
   81    74    80    82  -0.55150  1.0 3.0
   81    74    80    84   0.09700  1.0 1.0
   81    74    80    84   0.15600 -1.0 2.0
   81    74    80    84  -0.50800  1.0 3.0
   68    57    61    62   7.00000 -1.0 2.0
   68    57    61    70   7.00000 -1.0 2.0
   68    73    76    77   0.08050  1.0 3.0
   68    73    76    78   0.08050  1.0 3.0
   68    73    76    79   0.08050  1.0 3.0
   69    68    73    76   3.00000 -1.0 2.0
   59    53    57    61   0.67800  1.0 1.0
   59    53    57    61   0.47050 -1.0 2.0
   59    53    57    61  -0.62500  1.0 3.0
   59    53    57    68   0.09700  1.0 1.0
   59    53    57    68   0.15600 -1.0 2.0
   59    53    57    68  -0.50800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    46   0.36750  1.0 3.0
   39    33    43    44   0.62750  1.0 1.0
   39    33    43    44  -0.30950 -1.0 2.0
   39    33    43    44   0.27300  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    46   0.36750  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.23400  1.0 3.0
   44    43    47    49   0.23400  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    46    37    38  10.50000 -1.0 2.0
   53    68    57    61   1.10000 -1.0 2.0
   70    62    61    57   1.10000 -1.0 2.0
   74    84    80    82   1.10000 -1.0 2.0
   88    83    82    80   1.10000 -1.0 2.0
   55    63    58    65   1.10000 -1.0 2.0
   58    72    63    64  10.50000 -1.0 2.0
   66    67    65    58   1.10000 -1.0 2.0
   57    73    68    69  10.50000 -1.0 2.0
END
