* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    156    231     450
    1     0 S   NP   _N1_     1    29.07583    97.29239   -21.42047
    2     1 S   H    _HN1     2     1.02781    87.76384   -86.30015
    3     1 S   H    _H1_     3     1.02951    71.13252    23.98894
    4     1 S   H    _H2_     4     1.02830    49.83593   157.88522
    5     1 S   CT   _CA1     5     1.50130   157.11143   121.88368
    6     5 S   HC   _HA1     6     1.09561   105.21969    87.97364
    7     5 S   CO3  _C1_     7     1.53840   112.47077   -32.36559
    8     7 S   O2Z  _O11     8     1.26393   114.99962   -39.64036
    9     7 S   O2Z  _O12     9     1.26228   115.01655   139.63409
   10     5 S   CT   _CB1    10     1.53100   107.43629  -153.83370
   11    10 S   HC   HB11    11     1.09827   109.59906   -47.50013
   12    10 S   HC   HB12    12     1.09822   110.30960    69.17465
   13    10 S   CT   _CG1    13     1.52992   112.61073  -168.43052
   14    13 S   HC   HG11    14     1.09589   110.56773   -62.45394
   15    13 S   HC   HG12    15     1.09651   109.90381    56.82232
   16    13 S   C    _CD1    16     1.51790   112.27642   177.44059
   17    16 S   O    _OE1    17     1.22724   123.29041     3.32249
   18    16 S   N    _N2_    18     1.38643   111.61185  -177.24921
   19    18 S   H    _HN2    19     1.01574   118.99788     3.31718
   20    18 S   CT1  _CA2    20     1.46298   123.39555  -177.77807
   21    20 S   HC   _HA2    21     1.09735   109.36359    -1.98515
   22    20 S   C    _C2_    22     1.53376   108.80793  -117.78096
   23    22 S   O    _O2_    23     1.23048   122.26218  -148.60846
   24    20 S   CT   _CB2    32     1.53545   111.21635   119.77247
   25    24 S   HC   HB21    33     1.09372   109.21550    59.20271
   26    24 S   HC   HB22    34     1.09477   110.19273   177.95149
   27    22 S   N    _N3_    24     1.38323   113.61777    38.81699
   28    27 S   H    _HN3    25     1.01620   119.49908    -3.50761
   29    24 S   S    _SG2    35     1.82744   110.66526   -62.37200
   30    27 S   CT   _CA3    26     1.45286   123.17242   177.03179
   31    30 S   HC   HA31    27     1.09551   107.50430   -64.49334
   32    30 S   HC   HA32    28     1.09558   107.97893    51.92687
   33    29 S   CT   _C16    36     1.86490   102.42846   165.94858
   34    30 S   CO3  _C3_    29     1.52945   114.11601   173.92391
   35    34 S   O2Z  _O31    30     1.26370   116.05671    -0.90417
   36    34 S   O2Z  _O32    31     1.26428   114.41259   179.16772
   37    33 S   CM   _C12    37     1.56266   107.39968   174.08460
   38    33 S   CT   _C18    84     1.54608   111.22236    49.79897
   39    38 S   HC   _H38    85     1.09747   111.71605   -75.60991
   40    38 S   HC   _H39    86     1.09713   110.57371   166.42865
   41    38 S   HC   _H40    87     1.09312   113.88557    44.87021
   42    37 S   CT   _C15    38     1.56266   117.35595   109.39144
   43    42 S   HC   _H34    39     1.09685   105.48647   139.04423
   44    37 S   CMA  _C14    68     1.37840   123.55497   -73.03871
   45    44 S   OM   _O23    69     1.26970   124.99412  -177.13659
   46    42 S   CA   _C8_    40     1.53703   112.66680  -101.73746
   47    42 S   CM   _C10    53     1.51132   113.95390    25.97757
   48    44 S   OS   _O28    70     1.41516   112.17498     4.52472
   49    46 S   CA   _C6_    41     1.40898   119.59885    65.21365
   50    49 S   HA   _H32    42     1.08583   120.65273     1.90937
   51    47 S   CM   _C11    54     1.34172   122.21586   -23.25926
   52    47 S   CO4  _C13    61     1.47663   117.53814   156.47103
   53    52 S   O    _O25    62     1.22095   123.77150   -91.85953
   54    48 S   CT   _C22    71     1.43260   116.90885  -169.20296
   55    54 S   HC   _H50    72     1.09729   109.50587    56.42963
   56    54 S   HC   _H51    73     1.09723   109.96457   -63.91722
   57    49 S   CA   _C4_    43     1.39889   121.87848  -178.86254
   58    57 S   HA   _H30    44     1.08641   119.73299   179.75691
   59    33 S   NE   _N21    55     1.46285   107.86146   -65.06675
   60    59 S   H    _H53    56     1.01441   116.43214    60.59974
   61    51 S   CT   _C17    57     1.50590   124.73595  -177.15696
   62    61 S   HC   _H35    58     1.09557   110.06735   120.09357
   63    61 S   HC   _H36    59     1.09325   113.67169    -0.29275
   64    61 S   HC   _H37    60     1.09548   109.98809  -120.73346
   65    52 S   OS   _O27    63     1.35797   108.59256    88.28464
   66    54 S   CT   _C23    74     1.53581   108.85435   175.72680
   67    66 S   HC   _H52    75     1.09747   108.51516   -56.12718
   68    57 S   CA   _C5_    45     1.39063   120.29212    -0.53850
   69    68 S   HA   _H31    46     1.08605   120.03117  -179.82306
   70    65 S   CT   _C21    64     1.42951   115.02748  -179.21966
   71    70 S   HC   _H47    65     1.09326   108.10834   178.66969
   72    70 S   HC   _H48    66     1.09427   110.38629    59.96158
   73    70 S   HC   _H49    67     1.09421   110.23060   -62.63455
   74    66 S   CT   _C19    76     1.53015   111.47101    61.93031
   75    74 S   HC   _H41    77     1.09527   111.23297    59.33099
   76    74 S   HC   _H42    78     1.09427   111.22809   -61.17816
   77    74 S   HC   _H43    79     1.09526   110.71463   179.40422
   78    66 S   CT   _C20    80     1.52731   110.39701  -175.09164
   79    78 S   HC   _H44    81     1.09534   111.29508   -61.54011
   80    78 S   HC   _H45    82     1.09513   110.82083   178.22900
   81    78 S   HC   _H46    83     1.09510   110.79959    58.69998
   82    68 S   CA   _C7_    47     1.39055   119.68684    -0.69802
   83    82 S   HA   _H33    48     1.08713   119.19789  -178.54250
   84    46 S   CA   _C9_    49     1.40884   124.26271  -115.46950
   85    84 S   NO2  _N22    50     1.44851   121.79020    -3.88927
   86    85 S   ON   _O24    51     1.23806   117.16007   120.85264
   87    85 S   ON   _O26    52     1.23800   117.15451   -62.10252
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  14  13   7
   8   4   9   8   2  12   5   4   6   3   5   1   3   2   1   1
   4   9   8   5   3   3   2   1   1   7   3   2   1   3   2   1
   1   5   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    59    60    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    59    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    84    47    51    59    60    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    59    60  
   40    41    59  
   41    59  
   59  
   43    46    49    50    57    82    84    85    47    51    59    61    52    53    65    44    45    48  
   46    49    84    47    51    52    44  
   45    48    54    55    56    66    46    47    59  
   48    54  
   49    50    57    58    68    82    83    84    85    86    87    47    51    52  
   51    59    60    61    62    63    64    52    53    65    70    49    84  
   54    55    56    66    67    74    78  
   50    57    58    68    69    82    84    85  
   57    58    68    84  
   59    60    61    62    63    64    52    53    65  
   53    65    70    71    72    73    59    61  
   65    70  
   55    56    66    67    74    75    76    77    78    79    80    81  
   56    66    67    74    78  
   66    67    74    78  
   58    68    69    82    83    84  
   68    69    82  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   70    71    72    73  
   67    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   69    82    83    84    85  
   82    83    84  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87  
   84    85  
   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   0.402800   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   86   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   87   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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  1.510
   33    59   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    84   469.000  1.400
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    68   469.000  1.400
   68    69   367.000  1.080
   68    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   400.000  1.460
   85    86   550.000  1.225
   85    87   550.000  1.225
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    59   425.000  1.378
   51    61   317.000  1.510
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   570.000  1.229
   52    65   214.000  1.327
   65    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    66   268.000  1.529
   66    67   340.000  1.090
   66    74   268.000  1.529
   66    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    59    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    51    50.00000  121.00000
   33    59    60    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    84    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    57    63.00000  120.00000
   46    84    82    63.00000  120.00000
   46    84    85    85.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    68    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    68    69    35.00000  120.00000
   57    68    82    63.00000  120.00000
   68    57    58    35.00000  120.00000
   68    82    83    35.00000  120.00000
   68    82    84    63.00000  120.00000
   82    68    69    35.00000  120.00000
   82    84    85    85.00000  120.00000
   84    46    49    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    86    80.00000  117.50000
   84    85    87    80.00000  117.50000
   87    85    86    80.00000  125.30000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    59    70.00000  124.03900
   47    51    61    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    65    90.00000  111.29400
   51    59    60    35.00000  114.50000
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   59    33    37    80.00000  112.42400
   61    51    59    75.00000  116.24600
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    65    70    83.00000  116.90000
   65    52    53    83.00000  123.40000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    66    50.00000  109.50000
   54    66    67    37.50000  110.70000
   54    66    74    58.35000  112.70000
   54    66    78    58.35000  112.70000
   56    54    55    33.00000  107.80000
   66    54    55    37.50000  110.70000
   66    54    56    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    81    37.50000  110.70000
   74    66    67    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    66    67    37.50000  110.70000
   78    66    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    59    51  -0.12500  1.0 1.0
   29    33    59    51  -0.12500 -1.0 2.0
   29    33    59    51   0.25000  1.0 3.0
   29    33    59    60  -0.12500  1.0 1.0
   29    33    59    60  -0.12500 -1.0 2.0
   29    33    59    60   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    59    51  -0.12500  1.0 1.0
   37    33    59    51  -0.12500 -1.0 2.0
   37    33    59    51   0.25000  1.0 3.0
   37    33    59    60  -0.12500  1.0 1.0
   37    33    59    60  -0.12500 -1.0 2.0
   37    33    59    60   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    84   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    57   3.62500 -1.0 2.0
   42    46    84    82   3.62500 -1.0 2.0
   42    46    84    85   3.62500 -1.0 2.0
   42    47    51    59   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    65  -0.15000  1.0 1.0
   42    47    52    65   0.89550 -1.0 2.0
   42    47    52    65  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    84   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    57    58   3.62500 -1.0 2.0
   46    49    57    68   3.62500 -1.0 2.0
   46    84    85    86   0.69950 -1.0 2.0
   46    84    85    87   0.69950 -1.0 2.0
   49    46    84    82   3.62500 -1.0 2.0
   49    46    84    85   3.62500 -1.0 2.0
   49    57    68    69   3.62500 -1.0 2.0
   49    57   -68    82   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    68   3.62500 -1.0 2.0
   57    68    82    83   3.62500 -1.0 2.0
   57    68    82    84   3.62500 -1.0 2.0
   58    57    68    69   3.62500 -1.0 2.0
   58    57    68    82   3.62500 -1.0 2.0
   68    82   -84    46   3.62500 -1.0 2.0
   68    82    84    85   3.62500 -1.0 2.0
   69    68    82    83   3.62500 -1.0 2.0
   69    68    82    84   3.62500 -1.0 2.0
   82    84    85    86   0.69950 -1.0 2.0
   82    84    85    87   0.69950 -1.0 2.0
   83    82    84    46   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   84    46    49    50   3.62500 -1.0 2.0
   84    46   -49    57   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    84   0.18050 -1.0 2.0
   47    51   -59    33  -0.54700  1.0 1.0
   47    51   -59    33   1.23000 -1.0 2.0
   47    51    59    60   1.00000 -1.0 2.0
   47    51    61    62   0.00000  1.0 1.0
   47    51    61    63   0.00000  1.0 1.0
   47    51    61    64   0.00000  1.0 1.0
   47    52    65    70   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    65  -0.56150  1.0 1.0
   51    47    52    65   2.19150 -1.0 2.0
   59    33   -37    42   0.09700  1.0 1.0
   59    33   -37    42   0.15600 -1.0 2.0
   59    33   -37    42  -0.50800  1.0 3.0
   59    33    37    44   0.62150  1.0 1.0
   59    33    37    44   0.42850 -1.0 2.0
   59    33    37    44  -0.68200  1.0 3.0
   59    33    38    39   0.22950  1.0 3.0
   59    33    38    40   0.22950  1.0 3.0
   59    33    38    41   0.22950  1.0 3.0
   59    51    61    62  -0.18050  1.0 3.0
   59    51    61    63  -0.18050  1.0 3.0
   59    51    61    64  -0.18050  1.0 3.0
   61    51    59    33   1.00000 -1.0 2.0
   61    51    59    60   2.40850 -1.0 2.0
   52    47    51    59   7.00000 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   52    65    70    71   0.08050  1.0 3.0
   52    65    70    72   0.08050  1.0 3.0
   52    65    70    73   0.08050  1.0 3.0
   53    52    65    70   3.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    66  -0.46850  1.0 1.0
   44    48    54    66   0.09300 -1.0 2.0
   44    48    54    66  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    66    67   0.23400  1.0 3.0
   48    54    66    74   0.62750  1.0 1.0
   48    54    66    74  -0.30950 -1.0 2.0
   48    54    66    74   0.27300  1.0 3.0
   48    54    66    78   0.62750  1.0 1.0
   48    54    66    78  -0.30950 -1.0 2.0
   48    54    66    78   0.27300  1.0 3.0
   54    66    74    75   0.15000  1.0 3.0
   54    66    74    76   0.15000  1.0 3.0
   54    66    74    77   0.15000  1.0 3.0
   54    66    78    79   0.15000  1.0 3.0
   54    66    78    80   0.15000  1.0 3.0
   54    66    78    81   0.15000  1.0 3.0
   55    54    66    67   0.15000  1.0 3.0
   55    54    66    74   0.15000  1.0 3.0
   55    54    66    78   0.15000  1.0 3.0
   56    54    66    67   0.15000  1.0 3.0
   56    54    66    74   0.15000  1.0 3.0
   56    54    66    78   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   67    66    78    79   0.15000  1.0 3.0
   67    66    78    80   0.15000  1.0 3.0
   67    66    78    81   0.15000  1.0 3.0
   74    66    78    79   0.15000  1.0 3.0
   74    66    78    80   0.15000  1.0 3.0
   74    66    78    81   0.15000  1.0 3.0
   78    66    74    75   0.15000  1.0 3.0
   78    66    74    76   0.15000  1.0 3.0
   78    66    74    77   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    59    51   0.25450  1.0 1.0
   38    33    59    51  -0.61700 -1.0 2.0
   38    33    59    51  -0.23550  1.0 3.0
   38    33    59    60   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    84    46    42   4.00000 -1.0 2.0
   57    50    49    46   1.10000 -1.0 2.0
   68    58    57    49   1.10000 -1.0 2.0
   82    69    68    57   1.10000 -1.0 2.0
   84    83    82    68   1.10000 -1.0 2.0
   82    85    84    46   4.00000 -1.0 2.0
   87    84    85    86  10.50000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   61    59    51    47   1.10000 -1.0 2.0
   60    51    59    33   1.00000 -1.0 2.0
   47    65    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
