* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    161    252     465
    1     0 S   NP   _N1_     1    29.63335    97.65835   -18.33345
    2     1 S   H    _HN1     2     1.02942    80.07107    41.94693
    3     1 S   H    _H1_     3     1.02834    53.57911   162.10874
    4     1 S   H    _H2_     4     1.02795    73.98151   -70.48626
    5     1 S   CT   _CA1     5     1.50105   164.02444   174.88381
    6     5 S   HC   _HA1     6     1.09604   105.12768    48.44224
    7     5 S   CO3  _C1_     7     1.53732   112.23000   -71.35677
    8     7 S   O2Z  _O11     8     1.26350   115.08410   -51.80994
    9     7 S   O2Z  _O12     9     1.26259   114.90050   127.00079
   10     5 S   CT   _CB1    10     1.53108   107.34788   165.84628
   11    10 S   HC   HB11    11     1.09823   109.00686   -53.33100
   12    10 S   HC   HB12    12     1.09796   110.73460    63.22735
   13    10 S   CT   _CG1    13     1.52905   112.43160  -174.44106
   14    13 S   HC   HG11    14     1.09519   110.31358   -70.21466
   15    13 S   HC   HG12    15     1.09667   109.69405    48.87402
   16    13 S   C    _CD1    16     1.51803   112.57269   168.88224
   17    16 S   O    _OE1    17     1.22724   123.32466     4.85091
   18    16 S   N    _N2_    18     1.38607   111.57680  -174.26585
   19    18 S   H    _HN2    19     1.01680   118.90577    -2.10087
   20    18 S   CT1  _CA2    20     1.46144   123.64247   173.73058
   21    20 S   HC   _HA2    21     1.09731   109.38528     3.83134
   22    20 S   C    _C2_    22     1.53706   108.46509  -111.35841
   23    22 S   O    _O2_    23     1.23080   122.30255  -149.71121
   24    20 S   CT   _CB2    32     1.53294   111.62601   126.29533
   25    24 S   HC   HB21    33     1.09321   109.90995    54.38147
   26    24 S   HC   HB22    34     1.09528   110.36193   172.02344
   27    22 S   N    _N3_    24     1.38354   113.81564    37.98499
   28    27 S   H    _HN3    25     1.01558   119.55399    -3.88413
   29    24 S   S    _SG2    35     1.83192   111.64882   -70.19427
   30    27 S   CT   _CA3    26     1.45260   123.24513   177.14220
   31    30 S   HC   HA31    27     1.09550   107.60017   -62.36502
   32    30 S   HC   HA32    28     1.09556   107.88165    54.05978
   33    29 S   CT   _C23    36     1.86106   101.87876   122.98229
   34    30 S   CO3  _C3_    29     1.52958   114.08701   175.98444
   35    34 S   O2Z  _O31    30     1.26376   116.10411    -0.28804
   36    34 S   O2Z  _O32    31     1.26437   114.40585   179.70392
   37    33 S   CM   _C10    37     1.52198   107.82113   -65.66851
   38    37 S   HC   _H32    38     1.09415   112.51295   -58.24048
   39    33 S   CT   _C21    77     1.53695   109.13656    64.17189
   40    39 S   HC   _H45    78     1.09727   111.30301    56.50492
   41    39 S   HC   _H46    79     1.09666   110.91616   174.83980
   42    39 S   HC   _H47    80     1.09401   113.28116   -64.18422
   43    33 S   CT   _C22    81     1.54283   106.00058   179.71129
   44    43 S   HC   _H48    82     1.09698   111.83899   -61.45964
   45    43 S   HC   _H49    83     1.09743   112.36996    59.75746
   46    43 S   HC   _H50    84     1.09739   110.66993   179.26299
   47    37 S   CMA  _C11    39     1.35452   131.94724   122.57641
   48    47 S   OM   _O21    40     1.26553   127.58107    -2.06933
   49    47 S   OS   _O27    41     1.41948   109.75792  -179.40291
   50    49 S   CT   _C18    42     1.43997   113.51174  -118.66148
   51    50 S   HC   _H41    43     1.09845   110.50167     0.09691
   52    50 S   CT   _C12    44     1.55470   105.26595   116.00188
   53    52 S   HC   _H33    45     1.09563   109.71909    74.08915
   54    52 S   HC   _H34    46     1.09764   109.88192   -40.70933
   55    50 S   CT   _C15    60     1.56611   111.08276  -121.66764
   56    55 S   HC   _H38    61     1.09877   108.80616  -104.63176
   57    52 S   CM   _C5_    47     1.48256   112.51544  -162.25786
   58    55 S   CM   _C6_    62     1.49857   120.22588    17.23019
   59    57 S   CM   _C4_    48     1.33073   129.50075   -97.43659
   60    59 S   HC   _H29    49     1.08112   124.57932    -3.38917
   61    58 S   CO4  _C8_    63     1.47601   109.93171   137.97153
   62    61 S   O    _O23    64     1.21811   127.11824   175.02551
   63    58 S   CM   _C9_    66     1.33711   130.16582   -47.61433
   64    63 S   HC   _H30    67     1.08316   121.34954     1.23891
   65    63 S   HC   _H31    68     1.08520   121.91606  -177.41079
   66    59 S   CT   _C14    50     1.48055   110.49810   165.54288
   67    66 S   HC   _H37    51     1.09467   111.25581   128.64927
   68    82 S   OS   _O25    65     1.43865   108.13083   128.48957
   69    66 S   CT   _C13    52     1.54528   113.00174  -106.09657
   70    69 S   HC   _H35    53     1.09662   109.29148   171.98913
   71    69 S   HC   _H36    54     1.09770   108.83459   -71.65405
   72    66 S   OS   _O24    74     1.43397   103.51228    12.69129
   73    69 S   C3T  _C19    55     1.51999   113.33232    50.55903
   74    57 S   CO4  _C7_    75     1.46921   123.88942    78.85175
   75    74 S   O    _O22    76     1.21841   125.78105     7.93345
   76    73 S   C3T  _C17    56     1.52795   116.48406   -78.95871
   77    76 S   HC   _H40    57     1.08283   120.70732    -4.52619
   78    73 S   CT   _C20    70     1.50285   117.62199    81.15093
   79    78 S   HC   _H42    71     1.09587   111.64939   146.94896
   80    78 S   HC   _H43    72     1.09469   111.10070    27.50138
   81    78 S   HC   _H44    73     1.09225   111.23331   -93.11364
   82    76 S   CT   _C16    58     1.49711   122.06824   149.38168
   83    82 S   HC   _H39    59     1.09544   111.76778    12.10219
   84    73 S   O3T  _O26    69     1.43801   116.05171  -144.00091
  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
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  10  16   8  13   5   4  15   7   8   9  10   5   8   3   4   1
   1  11   6   6  13   6   5   3   9   1   1   8   4   5   3   2
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55  
   49    50  
   50    51    52    53    54    57    82    55    56    58  
   51    52    53    54    57    59    76    82    83    55    56    58    61    68    63    74  
   52    53    54    57    82    55    56    58  
   53    54    57    59    60    66    82    55    56    58    72    74    75  
   54    57    59    55    74  
   57    59    55    74  
   56    58    61    62    68    63    64    65    84    57    73    76    77    82    83  
   58    61    68    63    76    82    83  
   59    60    66    67    69    72    74    75  
   61    62    68    63    64    65    76    82    83  
   60    66    67    69    70    71    73    72    74    75  
   66    67    69    72    74  
   62    68    63    64    65    76    82    83  
   68    63    82  
   64    65    68    82  
   65  
    0  
   67    69    70    71    73    76    84    78    72    74    75  
   69    70    71    73    72    74  
   84    73    76    77    82    83  
   70    71    73    76    77    82    84    78    79    80    81    72    74  
   71    73    76    84    78    72  
   73    76    84    78    72  
   74    75    73  
   76    77    82    83    84    78    79    80    81  
   75  
    0  
   77    82    83    84    78    79    80    81  
   82    83    84    78  
   79    80    81    82    84  
   80    81    84  
   81    84  
   84  
   83    84  
   84  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    59   549.000  1.340
   57    74   320.000  1.462
   59    60   340.000  1.080
   59    66   317.000  1.510
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   275.000  1.510
   73    76   260.000  1.509
   73    84   335.000  1.432
   73    78   275.000  1.510
   76    77   340.000  1.088
   76    82   275.000  1.510
   76    84   335.000  1.432
   82    83   340.000  1.090
   82    55   268.000  1.529
   82    68   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    68   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    55    82    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    70.00000  124.00000
   52    57    74    65.00000  116.34900
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    66    70.00000  124.00000
   57    74    72    90.00000  111.29400
   57    74    75    80.00000  123.72100
   59    66    67    35.00000  109.50000
   59    66    69    70.00000  112.02700
   59    66    72    85.00000  110.90400
   66    59    60    35.00000  117.00000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    73    70.00000  112.37300
   66    72    74    83.00000  116.90000
   69    66    67    37.50000  110.70000
   69    73    76    60.00000  120.94000
   69    73    84    80.00000  116.47100
   69    73    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    45.00000  109.38400
   73    69    71    45.00000  109.38400
   73    76    77    37.50000  117.20000
   73    76    82    60.00000  120.94000
   73    76    84    15.00000   60.43100
   73    84    76    15.00000   59.14900
   73    78    79    45.00000  109.38400
   73    78    80    45.00000  109.38400
   73    78    81    45.00000  109.38400
   76    82    83    45.00000  109.38400
   76    82    55    70.00000  112.37300
   76    82    68    50.00000  109.50000
   82    76    77    40.00000  115.04500
   82    55    56    37.50000  110.70000
   82    55    58    70.00000  112.02700
   82    68    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    82    83    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    68    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   68    82    83    35.00000  109.50000
   68    82    55    50.00000  109.50000
   68    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   84    73    76    15.00000   60.43100
   84    76    77    50.00000  114.27700
   84    76    82    80.00000  116.47100
   78    73    76    60.00000  120.94000
   78    73    84    80.00000  116.47100
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   74    57    59    65.00000  118.96000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  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   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.46850  1.0 1.0
   47    49    50    52   0.09300 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    55  -0.46850  1.0 1.0
   47    49    50    55   0.09300 -1.0 2.0
   47    49    50    55  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    55    82   0.62750  1.0 1.0
   49    50    55    82  -0.30950 -1.0 2.0
   49    50    55    82   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59   0.09850  1.0 1.0
   50    52    57    59   0.15250 -1.0 2.0
   50    52    57    59  -0.50650  1.0 3.0
   50    52    57    74   0.09700  1.0 1.0
   50    52    57    74   0.15600 -1.0 2.0
   50    52    57    74  -0.50800  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    82   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    82   0.56750  1.0 1.0
   52    50    55    82  -0.07550 -1.0 2.0
   52    50    55    82   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    66   7.00000 -1.0 2.0
   52    57    74    72  -0.15000  1.0 1.0
   52    57    74    72   0.89550 -1.0 2.0
   52    57    74    72  -0.06900  1.0 3.0
   52    57    74    75  -0.64400  1.0 1.0
   52    57    74    75   0.26850 -1.0 2.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    74   0.15000  1.0 3.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    74   0.15000  1.0 3.0
   57    59    66    67   0.00000  1.0 1.0
   57    59    66    69   0.09850  1.0 1.0
   57    59    66    69   0.15250 -1.0 2.0
   57    59    66    69  -0.50650  1.0 3.0
   57    59   -66    72   0.39000  1.0 1.0
   57    59   -66    72  -0.05800 -1.0 2.0
   57    59   -66    72  -0.55150  1.0 3.0
   59    57   -74    72  -0.56150  1.0 1.0
   59    57   -74    72   2.19150 -1.0 2.0
   59    57    74    75   1.00000 -1.0 2.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    71   0.15000  1.0 3.0
   59    66    69    73   0.34400  1.0 1.0
   59    66    69    73   0.09450 -1.0 2.0
   59    66    69    73   0.11100  1.0 3.0
   59    66   -72    74  -0.82050  1.0 1.0
   59    66   -72    74   0.00600 -1.0 2.0
   59    66   -72    74   0.04400  1.0 3.0
   60    59    66    67   0.33100  1.0 3.0
   60    59    66    69   0.00000  1.0 1.0
   60    59    66    72   0.00000  1.0 1.0
   66    69    73    76   0.07850  1.0 1.0
   66    69    73    76  -0.03950 -1.0 2.0
   66    69    73    76   0.67350  1.0 3.0
   66    69    73    84   0.02550  1.0 1.0
   66    69    73    84  -0.02600 -1.0 2.0
   66    69    73    84   1.20400  1.0 3.0
   66    69    73    78   0.56750  1.0 1.0
   66    69    73    78  -0.07550 -1.0 2.0
   66    69    73    78   0.20000  1.0 3.0
   66    72   -74    57   2.00000 -1.0 2.0
   66    72    74    75   3.00000 -1.0 2.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    73   0.15000  1.0 3.0
   67    66    72    74   0.08050  1.0 3.0
   69    66    72    74  -0.25900  1.0 1.0
   69    66    72    74  -0.47000 -1.0 2.0
   69    66    72    74   0.11750  1.0 3.0
   69    73    76    77   0.15000  1.0 3.0
   69    73    76    82   0.56750  1.0 1.0
   69    73    76    82  -0.07550 -1.0 2.0
   69    73    76    82   0.20000  1.0 3.0
   69    73   -76    84   0.02550  1.0 1.0
   69    73   -76    84  -0.02600 -1.0 2.0
   69    73   -76    84   1.20400  1.0 3.0
   69    73   -84    76   0.06250  1.0 1.0
   69    73   -84    76  -0.01100 -1.0 2.0
   69    73   -84    76   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    73    84   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   71    69    73    76   0.15000  1.0 3.0
   71    69    73    84   0.23400  1.0 3.0
   71    69    73    78   0.15000  1.0 3.0
   73    76    82    83   0.15000  1.0 3.0
   73    76    82    55   0.07850  1.0 1.0
   73    76    82    55  -0.03950 -1.0 2.0
   73    76    82    55   0.67350  1.0 3.0
   73    76    82    68  -0.26800  1.0 1.0
   73    76    82    68   0.69150 -1.0 2.0
   73    76    82    68  -0.48750  1.0 3.0
   76    73    78    79   0.15000  1.0 3.0
   76    73    78    80   0.15000  1.0 3.0
   76    73    78    81   0.15000  1.0 3.0
   76    82    55    50   0.47050  1.0 1.0
   76    82    55    50   0.03900 -1.0 2.0
   76    82    55    50   0.20100  1.0 3.0
   76    82    55    56   0.15000  1.0 3.0
   76    82    55    58   0.34400  1.0 1.0
   76    82    55    58   0.09450 -1.0 2.0
   76    82    55    58   0.11100  1.0 3.0
   76    82    68    61  -0.25900  1.0 1.0
   76    82    68    61  -0.47000 -1.0 2.0
   76    82    68    61   0.11750  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    55   0.15000  1.0 3.0
   77    76    82    68   0.23400  1.0 3.0
   77    76   -84    73   0.36800  1.0 3.0
   82    76   -84    73   0.06250  1.0 1.0
   82    76   -84    73  -0.01100 -1.0 2.0
   82    76   -84    73   0.28050  1.0 3.0
   82    55   -58    61   0.09700  1.0 1.0
   82    55   -58    61   0.15600 -1.0 2.0
   82    55   -58    61  -0.50800  1.0 3.0
   82    55    58    63   0.09850  1.0 1.0
   82    55    58    63   0.15250 -1.0 2.0
   82    55    58    63  -0.50650  1.0 3.0
   83    82    55    50   0.15000  1.0 3.0
   83    82    55    56   0.15000  1.0 3.0
   83    82    55    58   0.15000  1.0 3.0
   83    82    68    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.34400  1.0 1.0
   55    50    52    57   0.09450 -1.0 2.0
   55    50    52    57   0.11100  1.0 3.0
   55    82   -68    61  -0.25900  1.0 1.0
   55    82   -68    61  -0.47000 -1.0 2.0
   55    82   -68    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    68  -0.15000  1.0 1.0
   55    58   -61    68   0.89550 -1.0 2.0
   55    58   -61    68  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -68    82   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    68    82   3.00000 -1.0 2.0
   68    82    55    50   0.62750  1.0 1.0
   68    82    55    50  -0.30950 -1.0 2.0
   68    82    55    50   0.27300  1.0 3.0
   68    82    55    56   0.23400  1.0 3.0
   68    82   -55    58   0.61850  1.0 1.0
   68    82   -55    58  -0.22750 -1.0 2.0
   68    82   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    68  -0.56150  1.0 1.0
   63    58    61    68   2.19150 -1.0 2.0
   84    73   -76    77   0.23400  1.0 3.0
   84    73   -76    82   0.02550  1.0 1.0
   84    73   -76    82  -0.02600 -1.0 2.0
   84    73   -76    82   1.20400  1.0 3.0
   84    73    78    79   0.23400  1.0 3.0
   84    73    78    80   0.23400  1.0 3.0
   84    73    78    81   0.23400  1.0 3.0
   84    76    82    83   0.23400  1.0 3.0
   84    76    82    55   0.02550  1.0 1.0
   84    76    82    55  -0.02600 -1.0 2.0
   84    76    82    55   1.20400  1.0 3.0
   84    76    82    68   1.11900  1.0 1.0
   84    76    82    68  -1.16350 -1.0 2.0
   84    76    82    68  -0.34150  1.0 3.0
   78    73    76    77   0.15000  1.0 3.0
   78    73    76    82   0.56750  1.0 1.0
   78    73    76    82  -0.07550 -1.0 2.0
   78    73    76    82   0.20000  1.0 3.0
   78    73   -76    84   0.02550  1.0 1.0
   78    73   -76    84  -0.02600 -1.0 2.0
   78    73   -76    84   1.20400  1.0 3.0
   78    73   -84    76   0.06250  1.0 1.0
   78    73   -84    76  -0.01100 -1.0 2.0
   78    73   -84    76   0.28050  1.0 3.0
   72    66    69    70   0.23400  1.0 3.0
   72    66    69    71   0.23400  1.0 3.0
   72    66    69    73  -0.26800  1.0 1.0
   72    66    69    73   0.69150 -1.0 2.0
   72    66    69    73  -0.48750  1.0 3.0
   74    57    59    60   7.00000 -1.0 2.0
   74    57   -59    66   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  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
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    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   52    74    57    59   1.10000 -1.0 2.0
   66    60    59    57   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    68    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
   57    72    74    75  10.50000 -1.0 2.0
END
